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 13jun12_15-r001(raw) 13jun12_15-r002(raw) 13jun12_16-r001(raw) 13jun12_16-r002(raw) 13jun12_17-r001(raw) 13jun12_17-r002(raw) 13jun12_18-r001(raw) 13jun12_18-r002(raw) 13jun12_19-r001(raw) 13jun12_19-r002(raw) 13jun12_20-r001(raw) 13jun12_20-r002(raw) 13jun12_21-r001(raw) 13jun12_21-r002(raw) 13jun12_22-r001(raw) 13jun12_22-r002(raw) 13jun12_23-r001(raw) 13jun12_23-r002(raw) 13jun12_24-r001(raw) 13jun12_24-r002(raw) 13jun12_25-r001(raw) 13jun12_25-r002(raw) 13jun12_26-r001(raw) 13jun12_26-r002(raw) 13jun12_27-r001(raw) 13jun12_27-r002(raw) 13jun12_28-r001(raw) 13jun12_28-r002(raw) 13jun12_29-r001(raw) 13jun12_29-r002(raw) 13jun12_31-r001(raw) 13jun12_31-r002(raw) 13jun12_32-r001(raw) 13jun12_32-r002(raw) 13jun12_33-r001(raw) 13jun12_33-r002(raw) 13jun12_34-r001(raw) 13jun12_34-r002(raw) 13jun12_35-r001(raw) 13jun12_35-r002(raw) 13jun12_36-r001(raw) 13jun12_36-r002(raw) 13jun12_37-r001(raw) 13jun12_37-r002(raw) 13jun12_38-r001(raw) 13jun12_38-r002(raw) 13jun12_39-r001(raw) 13jun12_39-r002(raw) 13jun12_40-r001(raw) 13jun12_40-r002(raw) 13jun12_41-r001(raw) 13jun12_41-r002(raw) 13jun12_42-r001(raw) 13jun12_42-r002(raw) 13jun12_43-r001(raw) 13jun12_43-r002(raw) 13jun12_44-r001(raw) 13jun12_44-r002(raw) 13jun12_45-r001(raw) 13jun12_45-r002(raw) 13jun12_47-r001(raw) 13jun12_47-r002(raw) 13jun12_48-r001(raw) 13jun12_48-r002(raw) 13jun12_49-r001(raw) 13jun12_49-r002(raw) 13jun12_50-r001(raw) 13jun12_50-r002(raw) 13jun12_51-r001(raw) 13jun12_51-r002(raw) 13jun12_52-r001(raw) 13jun12_52-r002(raw) 13jun12_53-r001(raw) 13jun12_53-r002(raw) 13jun12_54-r001(raw) 13jun12_54-r002(raw) 13jun12_55-r001(raw) 13jun12_55-r002(raw) 13jun12_56-r001(raw) 13jun12_56-r002(raw) 13jun12_57-r001(raw) 13jun12_57-r002(raw) 13jun12_58-r001(raw) 13jun12_58-r002(raw) 13jun12_59-r001(raw) 13jun12_59-r002(raw) 13jun12_60-r001(raw) 13jun12_60-r002(raw) 13jun12_61-r001(raw) 13jun12_61-r002(raw) HMP ID KEGG ID Mass *58.9824* 58.9824@0.7606734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1069 1 1 1 1 1 1 2377 2122 1 1 2710 2911 1 1 1 1 1 1 1 1 1 1 1 1392 1581 1473 1 1 58.9824 *60.0187* 60.0187@1.9664415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2907 1 2428 2704 1 1 1 2144 1 1 1 1 60.0187 *60.0208* 60.0208@1.5233893 1 1 1 1 1 1 2430 2348 1 1 1 1 1 1 2823 2603 1 1 1 1 1 1 1522 1431 1 1 1 1 1 1 1864 1 1846 2446 1 1 1 1 1 1498 1 1 1 1469 1276 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 2218 1883 4256 1843 1805 2252 1 1 1 1 1 1 2717 2302 1 1 60.0208 *60.0208* 60.0208@1.6215631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2361 2344 1 1 1 1 1 1 1 1 1 1 60.0208 *60.0208* 60.0208@2.8272653 1 1 1 1 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 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 60.0208 *62.9949* 62.9949@1.9769716 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 6159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5127 1 1 1 1 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 1 1 1 1 62.9949 *62.9952* 62.9952@1.239804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5787 1 1 1 1 7445 1 3671 3097 2075 1 1 1749 1 1 1 1 3605 1 1 1 2084 1 1 1 1 1735 1 1 1 1 1 5609 1 1 2103 1 1 5872 1 2251 1 1 1 1 1 1 1 1 1 1 3080 5803 1 1 5646 1 1 2351 1 1582 62.9952 *62.9953* 62.9953@1.151328 1 1 1989 1 1506 1 1725 1955 1286 1 1930 1613 1 3101 2348 2405 1 1 2250 1 1 3293 1 2145 2615 1 1 2661 1 1675 1719 1143 1095 1 2756 2612 1718 1813 2049 1 1 1235 1 1 3767 1 1435 4515 3450 1 1143 1880 3873 1 2031 1 1 2447 1 1066 1 1 1587 1 1749 1 2025 1417 2033 1614 3419 1 1 1161 1942 1327 1885 1 5822 4551 2595 2706 1987 1 1444 3510 2595 1557 1476 1060 62.9953 *62.9953* 62.9953@1.6138277 1 1 2659 1496 1 1 3580 4600 1 1 1 1669 1 1 2553 1 3816 2395 2397 1 3364 2980 4162 1 1 1 1 1 1 2670 3912 1 1 1 3779 1 1 1 1 1 2414 1 1 1 3530 4005 1 3782 3194 2628 3802 1 2786 1 2978 1 3226 3093 3408 5239 1 1 3142 3414 1 4096 2986 3769 1 1 1309 1 1 1 3492 3171 1 2406 15891 17726 1448 1 1 3279 1 1 1881 2826 3634 2650 62.9953 *62.9953* 62.9953@1.9722974 11907 13364 13832 13347 13633 13240 13494 11444 13470 12887 1 14645 11521 12642 13131 13324 12634 12549 13045 12564 13225 13793 13600 13111 12892 15503 8254 12771 11261 13358 12124 15091 14073 13331 11881 13700 11119 12531 14116 12754 14291 10811 14195 14411 13492 14491 13620 12356 13265 13110 8628 8963 11028 10168 10836 10005 5880 10997 10120 10180 10102 9004 10544 9069 9805 11535 8403 11624 9421 10834 9834 9999 10927 10700 11374 10542 9029 9877 9344 9582 9978 10006 11322 9729 8849 10445 9032 9015 11638 9405 62.9953 *62.9953* 62.9953@3.8596714 1 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 1081 1 1 1 1 1 1344 1 1 1 1348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1422 1 1 1 1 1 1 1 1 1 2008 1 1 1 1 62.9953 *62.9954* 62.9954@1.2987345 1 7374 3858 4422 10187 7220 7497 10218 7956 8148 9429 8969 10890 12776 6687 9101 8003 4776 1 1 8666 1 13693 11588 5583 8662 3915 2974 6522 3596 2878 4694 12062 11902 3950 8075 5881 12675 12032 7366 11501 4486 12719 1 4862 5268 6355 7009 12562 9158 2870 9309 12339 10666 3390 5433 1 1 1 11277 7452 2820 7667 7672 10058 3481 10136 2362 6578 8494 9892 3938 8199 6367 1 12434 9013 10570 13822 6313 3874 2303 6987 8651 4664 6198 9056 10651 10687 8608 62.9954 *62.9954* 62.9954@0.6674381 1137 1 1 1 1 1 1 6204 1 1 1 4065 1 1 2267 1 1 1 1 5271 1 1 4264 6134 1 4617 1 5181 1 1 4179 4569 2823 8954 2821 6202 7728 1 1291 1 8798 1 1 1967 1 3869 7221 8938 4422 1 4111 1 7178 2692 1189 5785 3989 1 1 5284 6949 1 1 1 1 1 3417 1 2248 1 1 2575 4047 1 1 3144 6514 1 3221 1 1 2895 1 4763 1 3231 4490 5617 6618 1 62.9954 *62.9955* 62.9955@0.96567404 1 1 38591 1 1 1 1 1 1 43011 2182 1 1 1 1 1 1 1 1 1 1 49525 1 1 1 1 1 1 1 1 48114 1 1 30366 1418 1 34402 34975 36285 1 1 45428 1 1866 1 1 41872 1 1 1689 27549 1 1 1 31761 1 1 1 2371 1753 1 51941 1 1 43363 1 1 1 58224 59436 49848 49716 1 35460 1 1291 1205 38596 1 4802 1 1 1 1 1 1 1 50847 1 1546 62.9955 *62.9955* 62.9955@1.7997528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1458 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 1282 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 1950 1 1 1 1251 62.9955 *62.9955* 62.9955@3.3635588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62.9955 *62.9956* 62.9956@0.8874983 38312 38184 1836 39264 39135 39153 35524 37000 42303 1992 44094 43886 34666 35509 39682 37034 53356 52424 50079 49434 46312 1091 41053 38605 44583 42175 42530 40513 42473 42211 2051 49876 31382 1274 23293 24664 2015 2516 1178 37542 48261 2089 35900 37578 46316 44401 1828 42304 38095 37443 1493 26581 32346 30455 1774 30432 37694 38217 42683 43892 51724 2696 44167 42246 1679 40357 33111 32834 1486 1735 2193 1371 38092 1563 36764 35791 38268 1884 335846 336478 36472 36156 44035 42719 40405 39196 49759 1347 36547 35094 62.9956 *62.9957* 62.9957@1.4260834 1 1 5790 6073 1 1 2224 1 1 1 1 1 1 1 2226 1 1 1 1 1 2485 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 1715 1587 1 3023 1 1 1 1 1 1 1 1 1 1 1 1 1938 1 1 1 1 1 1 1 1 2170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1912 62.9957 *63.0622* 63.0622@0.9080325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6171 6114 1 1 1 1 1 1 1 1 1 1 63.0622 *63.9953* 63.9953@0.90653247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1802 1 1 1 1 1 1 1 1 1 1 63.9953 *64.9696* 64.9696@1.9569846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1308 4950 3705 1 1 1 1 1 1 1 1 1 1 1002 1 1 1 1 1 1284 1 1 1 1 1 64.9696 *65.0035* 65.0035@0.9070343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4199 1 1 1 1 1 1 1 1 1 1 65.0035 *66.0211* 66.0211@1.5854617 1 1 1 1 1 1 1 1 1 1 1 1 1016 1108 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 1128 1 1 1598 1 1 1 1 1 1 1 1 1 1 1 1 1 1071 1 1 1 1 1 1 1 1 1 1 1096 1 1 1 1 1775 1 1 1 1 1 1 1 1 1 1 66.0211 *66.0211* 66.0211@0.6653542 1 1 1 1 1 1 1 1996 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 1874 1 1 1 1 1 1264 1 3181 1 1 1 1 1 1 1 1985 1 1 1 1 2124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2536 1 1 1 2068 1 1 1 1 3896 1 1374 1 3125 66.0211 *66.0212* 66.0212@3.147833 1 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 1295 1 1 1 1 1 1 1 1 1 1664 1 1 1436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66.0212 *66.0213* 66.0213@1.0447532 1 1 1 1 1259 1 1 1 1 1 1 1175 1539 1 1 1758 1 1 1146 1560 1523 1 1088 1 1114 2813 1410 1 1 1 1109 1 4250 2207 1905 1 1 1 1 1 1 1 1 1 1 1 1 1 1147 1 1 1187 1 1 1 1 1 1 1 1 1 1 1 1 1 1577 1 1 1 1562 1 1 1 1 1962 1605 1 1312 1 1 1 1 1 1 1 1985 1599 1490 1607 1908 66.0213 *66.0214* C3 H2 N2 1 1 2076 2420 1 1 1824 1 1 1 1844 1 4902 1 1 1191 2028 1 6201 2458 2223 1 2536 1946 2151 1 1 1 1 1638 1 2126 2841 1 2317 1 1452 1 1 1 2004 1 2597 2161 1 1 7821 5784 1 1 1 1557 1 1 3099 1 2543 2704 1 1813 2444 3571 1 1 3252 1858 3917 2334 1 3366 1 1 8215 10774 4279 4549 1847 1 1 1 1 7804 1 2909 2398 10798 1 2928 1 1 66.0214 *66.0215* 66.0215@2.0285916 1 1 1 5571 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 2272 1 1 1 1 1 1 1 1 1 1 1 1 7317 1 1 1 1 2089 1 1 1 1 1450 1 1 1 1 1 1 1 1 2842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66.0215 *66.0216* 66.0216@0.7217757 1 1960 1 1 1 1 1 1 1 1 1 2040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3559 1 1576 1 1 1 1 1 1708 1 1 1 1 1 1515 1 1 1 1 1 1609 1 1 1 1 1 1 1 1155 1 1 2400 1309 1 1 1 1 1 1 2061 2457 1 1 2977 1 1 1 1 1574 1646 2071 1825 1 1 1805 2026 1 1 66.0216 *66.0216* 66.0216@0.98332167 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 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 1559 1 1 1 66.0216 *66.0219* 66.0219@1.3229616 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 2315 1 1435 1 1 1 1 1 1 1 1 1026 1 1 3175 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 1176 1252 1 1 1 1 1 1 1 1 1901 1 2306 1 1 1 66.0219 *68.0271* 68.0271@1.9768052 1 1 1 1 1 1 1 1 1 1 1416 2404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1383 1940 1 1 1 1 1 1 1 1 1 1 1483 1406 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 2532 1180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68.0271 *69.0091* 69.0091@1.9735665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3979 1 8316 1 1 1 1 1 1 1 1 5376 1 1 1 1 1 1 1 1 1 1 1 4029 1 1 1 1 5215 7362 1 1 1 4510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69.0091 *69.0102* 69.0102@1.154253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4912 1 1 1 1 1 1 1 3077 1 1 69.0102 *69.0128* 69.0128@1.9669975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69.0128 *69.0165* 69.0165@1.9725802 1 1 1 1 7377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69.0165 *69.0313* 69.0313@1.5525595 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69.0313 *69.0326* 69.0326@1.404828 1 1 12459 12302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69.0326 *70.0025* 70.0025@1.9814434 51914 113493 105998 116752 141942 116626 102278 106647 105215 86521 99919 88675 91594 70841 88862 100847 86278 73243 82621 52728 83723 78418 71634 49113 70609 62834 48259 33678 58864 48846 1 53135 58968 47515 59007 32393 36534 48184 56694 42330 1 42459 48915 27323 43939 56866 44533 36963 34018 30583 17193 27534 38134 43374 37720 29705 42364 31263 1 36282 21255 21702 37183 36919 36408 35833 3549 1 1 1 33573 35648 33402 35993 10257 15942 1 1 1 10396 20896 1 26789 1 1 21261 20069 14891 19173 16095 70.0025 *70.0025* 70.0025@2.072477 86907 1 1 1 1 1 1 1 1 1 1 9899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4000 1 1 70.0025 *70.003* C3 H2 O2 - 0.9631399 25324 1 1 1 1 1 23235 1 21136 1 1 1 1 20852 19044 1 1 1 1 11943 16305 1 1 11118 13694 1 1 1 1 13439 1 11370 10159 1 1 1 1 10281 1 8818 10422 9154 1 1 6141 1 1 1 1 1 6194 8163 6765 1 1 5345 1 7544 7338 1 1 1 1 5071 1 1 1 1 1 1 1 1 6943 1 1 6814 11177 1 6400 1 5712 3662 1 5539 6147 1 5122 6999 6717 1 70.003 *70.003* 70.003@3.333164 1 1 1 1 1 1 1 1 1 1 1 1 1 26209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.003 *70.0031* 70.0031@3.1184824 1 1 1 1 1 1 1 1 1 1 1 1 1 15694 12489 1 1 1 1 1 32639 1 1 1 1 1 1 1 1 1 1 1 25340 1 1 1 1 1 27467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47174 1 8870 1 1 18960 1 1 1 28474 1 18240 1 1 1 49377 1 1 1 1 70.0031 *70.0031* 70.0031@2.9301777 1 1 1 1 1 1 1 1 1 1 1 1 1 33789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0031 *70.0032* C3 H2 O2 159568 153501 171898 133336 97860 1 134573 135848 126306 128179 118462 123718 128428 114545 112601 117303 1 13319 15634 103001 103860 14445 1 97450 105333 1 103325 101897 1 84439 1 88927 85943 1 45269 42953 1 48824 86796 46196 78717 48780 78388 77512 67417 57296 8978 81082 75287 7220 42453 40894 71541 68820 1 39931 80548 74595 70230 43408 70195 71377 65834 63678 70244 71124 68719 56202 62232 55197 64030 61906 53943 49790 54455 63099 58392 60043 78498 60429 57059 53298 33547 56007 52171 56416 62286 67670 54933 51862 70.0032 *70.0032* 70.0032@1.2120806 1 1 1 1 1 1 1 1 1 1 1 1 1 16900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26993 1 34262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8439 1 1 1 1 1 25990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11712 1 1 1 1 1 1 1 1 17649 1 1 3419 1 1 70.0032 *70.0033* 70.0033@2.958685 1 1 1 1 1 1 1 1 1 1 1 1 1 12772 18402 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 30527 1 1 1 1 14689 1 1 1 19970 1 17196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14878 12281 1 1 47454 24267 1 1 1 1 1 1 1 8147 1 1 70.0033 *70.0033* 70.0033@1.3903769 43899 1 1 1 1 1 1 1 1 1 1 1 1 28044 23334 1 1 1 1 16898 24279 1 1 1 1 1 1 1 1 1 1 1 11827 1 1 1 1 1 30855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7985 14734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9559 1 1 8196 1 1 1 1 1 1 1 1 1 1 1 14146 1 1 70.0033 *70.0033* 70.0033@1.5775301 18119 1 1 1 1 1 1 1 1 1 1 1 1 13829 19773 1 1 1 1 1 15435 1 1 1 1 1 1 1 1 1 1 1 11593 1 1 1 1 1 6263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7796 1 1 8875 1 1 1 1 1 1 1 1 1 1 1 9192 1 1 70.0033 *70.0033* 70.0033@2.856555 1 1 1 1 1 1 1 1 1 1 1 1 1 11920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0033 *70.0033* 70.0033@0.72463155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0033 *70.0034* 70.0034@0.670851 1 1 1 85357 1 1 1 1 1 1 1 1 62843 1 13306 1 1 1 1 10226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7157 14438 1 7768 1 1 1 1 20585 1 1 1 1 7729 1 1 1 1 1 1 1 1 1 1 4882 1 1 1 1 1 24791 1 10384 1 5513 1 17762 13459 15863 1 26187 1 14774 1 15422 1 1 19730 22088 14407 21316 1 22374 70.0034 *70.0034* 70.0034@0.8239018 43927 1 1 1 1 1 1 1 1 1 1 31057 1 24164 27977 27759 1 1 1 20781 1 20709 1 29137 1 12373 1 22104 1 1 1 1 1 1 1 1 1 1 19901 1 16603 1 1 1 1 9778 1 1 22652 1 1 13739 1 1 24552 1 15732 1 1 1 1 13333 1 11010 1 13072 1 1 12538 9633 1 4511 10743 1 11487 1 1 1 9532 11362 1 6378 8720 6972 6008 6710 1 10579 1 11088 70.0034 *70.0038* 70.0038@1.640766 1 1 1 1 1 1 1 1 1 1 1 1 1 26100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21795 1 1 1 1 1 31782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0038 *70.0739* 70.0739@1.0511825 1 3069 1048 1 1 2043 1 1 1 6335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0739 *71.0064* 71.0064@1.0434074 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71.0064 *71.9528* 71.9528@2.0914373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 71.9528 *71.953* 71.953@2.7780488 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 1 1 1 1 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 2324 1 1 1 1 1 71.953 *71.9532* 71.9532@2.2101948 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 1708 1 1 1 1 1677 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 2063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2056 1 3194 1 1 1 1 1 2313 1 1 1568 1 1 1 1 1 1626 1 1924 71.9532 *71.9533* 71.9533@2.5413527 1 1 1 1 1 1 1 1008 1 1 1 1 1 1 1 1 4230 1 1 1 1346 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 2133 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 4989 1 1 1 1 2185 1 2594 1 1 1 71.9533 *71.9533* 71.9533@2.8321085 1 1 1 1 1 1 1 1 1 1 1178 1 1 2565 1 1 2454 1369 1 1 1022 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 3525 6804 4447 1 1 2567 1 1 1 1 5287 6691 1 1 1 8478 1 1 1 1 3903 1 1 1 1 8896 9338 11122 1 11568 5853 1 6372 2902 9271 5112 13300 8607 1 4731 71.9533 *71.9533* 71.9533@2.149911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2869 71.9533 *71.9534* 71.9534@2.5612273 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71.9534 *71.9535* 71.9535@2.7433186 2105 1 4094 5040 1 1 1 2305 1 1 1630 1371 2356 2132 3062 1 4758 1 2645 1 1534 1 2883 1 1 1 1 2612 1 1675 4734 7187 1761 1 1 1 1 1 1728 7439 1 2738 1 1 1 1 1 3711 1394 5347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1180 7989 1996 1 1 1 1 2718 1 1 1 2808 3524 1 1 1 1 2293 71.9535 *72.007* 72.007@6.8633366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2199 1 1 1 1 2304 2663 1365 1 1 1775 1 1 2100 1819 1 1524 1 1 72.007 *72.0203* 72.0203@2.1246934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3210 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72.0203 *72.0206* 72.0206@1.5630684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2205 2179 1 1 1 1 1 1 1 1 1 1 1 1 1760 1 1 1249 1 1 2589 1 1 4199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2420 1 1 1 1 1 4036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72.0206 *72.0207* Methylglyoxal - 1.3239123 1 1 1 1 1 1 1 1 1 1 1862 1042 4411 1 1 1 2890 1597 1 1 2776 1 1 1 1847 1 1 1 1 1 2216 1 1290 3251 1 1 1 1 2101 1 2926 7926 1 1 1 3790 1 1 1 1 8068 8464 2728 3988 3927 2298 1 1 8034 4978 6937 2427 6865 6574 3408 3842 2047 5342 4661 2675 11693 11667 3846 3498 3902 3378 2313 6586 5627 2712 8348 10739 3454 3221 4040 5202 2892 1986 9445 10708 C00546 72.0207 *72.0207* Methylglyoxal - 1.6264697 3131 2147 7010 5466 1 1 1 3641 5791 5647 1 3475 1 1 2410 3800 1 1 4807 3886 1 3843 4991 1 1 1 8428 1 2004 1 1 1 6103 7994 1556 2473 1 1535 7929 9619 5787 1168 1 5192 1 7035 3670 1 1 1 4258 1 1 1 1 1 1 1 1 1 1 1 2821 1130 5208 1 1 1 1 2039 1 1 5141 3860 1 3816 4615 1150 7831 6950 1154 2116 1 1 3808 4209 1571 1798 1 7259 C00546 72.0207 *72.0207* 72.0207@1.6509196 1 1 1 1 1 1 1 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 1 1 3349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72.0207 *72.0208* Methylglyoxal 2335 2514 2315 2724 2619 2550 2499 3117 2799 2981 3058 3525 2538 2801 2299 2679 3568 3896 3418 3254 10927 10310 22737 21876 2752 2597 3098 2917 8237 7882 9113 9120 8067 7580 7965 7599 4308 4057 3216 3839 5733 4770 3370 2997 3373 3620 3109 3276 4453 4560 8036 8137 9212 8325 5142 4623 6708 6607 3565 3883 4310 4629 3211 3510 6248 5926 11129 11030 11098 11046 3127 3470 4541 4999 4944 5302 3442 3052 9555 10257 16210 16775 6920 7051 4508 5133 13245 13131 16431 17346 C00546 72.0208 *72.0208* Acrylic acid 9364 15845 17572 18950 15903 15673 5978 7282 16078 14364 18106 17559 13951 13279 8712 9127 1 5872 15361 15651 7791 7243 10882 9836 11369 9693 20216 19302 7845 1 16448 15785 9081 11946 13488 8053 11215 10020 19700 20827 9323 1969 17701 14997 15793 18592 7495 11674 6617 6066 4634 1 15629 9434 1 5759 14696 14956 8362 4599 11447 8477 1 6134 7849 7580 6349 5690 15757 13080 6455 6860 7012 5975 15028 4000 12522 8870 9638 8906 7011 5003 7553 5644 12879 17357 11911 11778 5425 5757 72.0208 *72.0208* 72.0208@1.941131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10967 1 1479 1 1 1 1 1 1 1 1 1 1 1 1 1 3273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1882 1 1177 1 1 1 3821 1085 1 1995 1 1 1 3385 1 1 1 1 3136 1 1 1 1 1 1 1 1 72.0208 *72.0208* 72.0208@3.4519398 1 1 1 1 1 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 1403 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72.0208 *72.0208* 72.0208@2.6557877 1 5436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72.0208 *72.0209* 72.0209@3.2307973 2045 1686 1 1575 1 1 2850 1 1 1 1330 1718 5249 1789 3045 1615 2542 1274 1 1 1739 1 1016 2464 2201 1 1 1 1 1474 1 3038 1268 3235 3087 1 1 1694 1 1 1 1 1 4037 3953 1 1 2157 1 1930 1 1 4333 1330 2851 1 1 1 1969 1043 2390 1167 1 1863 1 1 1 1 2100 1 2262 1 1450 2470 2369 1337 1 1 4679 1 2900 1815 4792 1 1 1 1 3140 1 1 72.0209 *72.0209* 72.0209@1.1978238 1 1 1 1 1 1 1 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 3485 1 1 1 1 1 1 1 1 1 2935 1 1 1 1939 1 1 1 1 3948 5631 1 1 1 1 1 1 2986 1 1 1 1 1 1 1 2767 1 1 1 1 1344 1 2659 1 1 1 1 1 5182 5323 72.0209 *72.0209* 72.0209@3.2782419 1 1 1 1 1 1 2895 1 1 1 1 1 1 2919 1 1 4019 1 1 1 1966 1 1 1 1 1 1 1 1 1 1 1 1469 1 2139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72.0209 *72.0209* 72.0209@3.9102633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 72.0209 *72.021* 72.021@2.4371758 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 5719 1 1 1 1 1 1 1 1 5418 1 1 1 1 3251 1 1 3056 1 1 1 1 1 1 5199 1609 1 2564 1 3406 1 1 1 1 1 1305 1 1 1837 1 1 1 1 1 1 3370 1 5864 1 1 1713 1 1 1 1 1327 1 2872 1833 1 1 1 1 4073 72.021 *72.0211* Methylglyoxal - 2.3959143 6380 1 8858 1 12348 1 11739 4359 3856 6912 1 5409 5785 3211 1411 2517 9468 8577 1 1915 2819 1 2058 1 11961 12966 8111 1 7695 4693 1 4627 2166 1 10125 3572 7987 5919 1 4646 5121 6556 1 7169 1 1 12241 12083 5752 8551 6729 8965 2256 4066 2620 5549 9433 12944 2090 4841 11474 12159 2973 2047 2057 9222 9318 8992 1 1 13498 9787 13842 6345 10176 10565 12144 11915 16594 19884 10666 8760 1 11258 4105 1 12805 12319 3307 7054 C00546 72.0211 *72.0211* Acrylic acid - 2.8973038 6417 1026 6690 5460 12791 13264 10541 8967 6692 5987 5949 1123 1562 7801 5894 1 2917 2175 7890 5682 1118 9030 4833 3723 13059 12248 7665 1 12402 13036 7373 5212 4399 6570 4842 1 7616 6769 3126 2723 3288 4497 6747 8137 7120 11330 11409 8481 3171 2721 1 1 1 3956 1 1 1 1 1 1 4301 1851 2398 1 1 1 1 1 2925 5572 4393 1 4468 4487 1 1 1 1 3063 1 1 1 2108 1 1 1 1 7729 2818 1 72.0211 *72.0212* 72.0212@2.8859832 1 1877 1 1 1 1 1 1 1 1 3245 6561 6577 1 3144 1 1 1 1 1 6439 1 1 2748 1 1 1 1 1 1 1 3008 1 3654 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 3481 1 1 1 1 1 1 1 1 1 1 1692 1 1 1 1 1 1 1 72.0212 *72.0515* 72.0515@1.9825686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 72.0515 *72.0558* C4 H8 O 1 1 1 4834 1 1 1861 1 1 1 1 4037 1 1 2256 1 1336 4697 3642 1 1 1155 1234 2580 5597 1 47149 61005 1 1 1 1 1 1 1 1 1 2325 1988 2314 1 1 8284 1 1 1 1 1978 1 1 1 1169 1 1 3126 1 39860 4765 1 26968 11221 10596 1001 1 28119 3420 1 3533 1 1 1 14384 1269 3267 11756 1 3864 3239 1 1 1286 1 1672 1848 1 1 1 5421 25767 2722 72.0558 *72.0559* 72.0559@2.6570692 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4964 4123 1 1 1 1 1 1 1 1 1 1 72.0559 *72.0563* 72.0563@3.0787802 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72.0563 *72.0564* 72.0564@2.9497795 1 1 1 2483 1 1 1 1 1 1 1 1 1 1 6117 1 1 1 1 1 1 1101 1905 2395 3077 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 2868 1 1 1 1 1207 1 1 40117 1 1 1 1 1 1 1 1 1 1368 1 6703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72.0564 *72.0564* 72.0564@1.3820858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19919 19405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72.0564 *73.016* 73.016@5.635499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1112 1 1 73.016 *73.0522* 73.0522@2.062695 1 1 1 1 1152 1660 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 1 1 1 1 1 1 1 1 1 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 2153 1 1 1 1 1 1 1 1 1 1 73.0522 *73.9499* 73.9499@2.1157243 1 1 1 1 1 1 1 1 1 1 1 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 2014 1 1 1 1 1 1 1 2116 1 1 2673 1 1 1 1 1 1 1 1 1824 1865 1 1 73.9499 *73.9501* 73.9501@2.6988056 1 1 1 1 1 1 2703 1 1 2034 1 1 2960 1 1 1 1 1 1 1 1 1 1 1 1 1230 1 1 1 1 1 1 1 1 4648 1 1 1 1436 1 1 1 1 1 1 1 1 1 2441 1 1 1 1551 1695 1 1 1 1 6276 1 1 1 1272 1 1 1 1 1 1 1 1 1 3296 1 1 5959 2570 4389 1 1 1 1 1 1 1 3488 1 1 1 1 73.9501 *73.9502* 73.9502@2.808332 1 1 7626 1 1 1 1546 1 2973 3545 5429 9291 2918 2439 1 1 6347 1 1 1 1985 1 1 3193 1 6288 1 2911 3629 1 1 2209 1063 1 1683 1 1 1 1896 1482 3883 1 1 1 1 1 4286 1 8926 3984 7187 3524 3004 5460 1 4359 1 1943 3286 1 10719 1 4492 1 1 1 5689 6614 1 1 10860 9198 5119 1 6137 4260 7609 8355 1 8365 5428 9149 9386 8126 7763 9797 8056 7867 1 2023 73.9502 *73.9502* 73.9502@2.5459132 1 1 6884 1 1 1 1906 1 1 2700 1 8216 1 2554 1 1 1 1 1 1 1 1 1 1 1 2556 1 1 1 1 1 2091 1 1 1372 1 1 1 1 1 1 1 1 1 1 1 1 1 3531 1 1 1 1547 3568 1 1 1 1 1642 1 1 1 4896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.9502 *73.9503* 73.9503@2.5930057 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.9503 *73.9505* 73.9505@2.2810876 1 1 1978 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 5279 1 1 1 1 1 1 1 1 1 1 1 1 1 3614 1 1 1 1 1 1 1 1 1 1 1570 1 1 1 1 1 1 1 1 1 1 1 1 1568 1 1 1146 1 1 1 1 1 1 1 1 1 2292 1 1988 1 1186 73.9505 *73.9994* 73.9994@1.9709396 1 1 16058 2460 18554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14306 14009 1 1 18011 20143 1 1 1 1 1 1 1 1 1633 2299 1 1 3737 3844 1 1 2779 17638 1 3442 1 1765 1 1 1 2449 1 21625 1 1 1 1 1 1 1 17632 1 3433 1 1 3649 1 1 3656 1 1 1 1 4769 1 1 1 1 73.9994 *73.9996* 73.9996@2.0654235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.9996 *73.9998* Glyoxylic acid 3257 3121 2851 3035 3894 3284 5203 6711 5146 3381 6847 4506 2185 2751 14818 4638 5055 5110 2752 3134 1470 1 5611 1 2480 1990 17928 2810 4564 5187 5030 2022 2899 4741 4032 2487 1719 3630 17581 3543 7461 2311 5831 5143 5082 12980 3384 17715 5600 2535 2584 1987 2737 2210 1618 5516 3593 4926 3889 5815 3323 4747 1399 1 3805 6009 1 1 13023 4079 21216 6100 4862 6907 3013 5916 4333 2826 3636 3997 4306 6098 2596 5851 6776 4466 1 15672 1 1 HMDB00119 C00048 73.9998 *73.9999* 73.9999@2.9530609 1 1 1 1535 1 1 1 1 1 1 1 1 1 1 1 1 2446 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 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 4470 1 1 1 1 1 1 1 1 1 1 1 1 1 2945 1 5809 73.9999 *74.0001* 74.0001@1.6378809 1 1 1 1 1 1172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2518 1 1 1 1 1 1 2723 2840 2469 1 1 2773 1 2603 1 1 1 1969 1 1 1 3212 1 2199 1 1 1 1 1814 1 1 1 1 3186 2058 2283 1 2831 1 1 3783 1 1 2203 1 1 1 1 1 2080 2588 4670 3622 3646 1 8531 1 3396 1 3054 1 1 1 1 3159 3415 74.0001 *74.0001* 74.0001@3.2910388 1 1 1 1 1 1 1 1 1 1 1 1 5570 1838 1 1 1 1 1 1 2646 1 1 1 1 1 1 1 1 1 1 1 2075 1 1 1 1 1 1615 1 1 1 1 1 1 1 1 1 1 1 1 7608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2460 1 1 2418 1 1 1 1 1 1 1 1 1 1 1 3961 1 1 74.0001 *74.0001* 74.0001@1.3296351 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 3994 1 1 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 1431 1427 1 1 1 1 1 74.0001 *74.0001* 74.0001@1.2662526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1424 1 1 1 1 1 74.0001 *74.0002* 74.0002@3.8647916 1 1 1 1 1 1 1 1 1 1 1 1 1 1340 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 1376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3335 1 2085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2259 1 1 74.0002 *74.0003* 74.0003@3.1007738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2514 1 1 1 1 1 1 1 1 1 1 1 8542 1 1 1 1 1 15277 1009 1 1 5355 1 18946 20068 1 1 1 1 1 1 1 1 14293 1 1 74.0003 *74.0003* 74.0003@3.4634302 4484 1 1 1 1 1 1 1 1 1 1 1 1 2623 2001 1 1 1 1 2058 1 1 1 1 1 1 1 1 1 3671 1 1 1 1 5923 1 1 1 4226 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 8139 1 1 1 1 1 4915 1799 1 1 2015 1 1 1 1 1 1 1 1 1 1 1 5442 1 1 74.0003 *74.0003* 74.0003@3.6517987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74.0003 *74.0004* 74.0004@3.2942538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5826 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 3873 1 1 2661 1 1 1 1 1 1 1 1 1 1 1 2329 1 1 74.0004 *74.0326* 74.0326@3.0747707 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 1808 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 1 1 1799 1 1 1 1 74.0326 *74.0343* 74.0343@3.588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4732 1 1 1 1 1 1 1 1 1 1 74.0343 *74.0346* 74.0346@3.0356474 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 1967 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 3217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74.0346 *74.035* 74.035@1.6152998 1 1 1 1 1 3184 1 1 1 1 1 1 1347 2704 1 1 1 1 1 1 1 1 1 1 1076 1 1 1345 1 1 1 1693 1365 3061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2172 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 1 1 2520 3181 6960 6321 1 1 1 1 1 1 1 1 1 1 74.035 *74.0352* 74.0352@2.9371629 1 1 1 1218 2865 1 1 1434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3479 1 2662 3698 1 1 1 1 1 1 3792 1 2293 1 1 1 1 1 1 1 1 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 74.0352 *74.0355* 74.0355@1.9789106 8238 1286 10500 10500 10280 11417 1 4777 10213 10688 11942 9826 9626 3986 5543 4679 3060 2998 1 9582 4177 4760 4085 3741 3862 8610 1 11824 3679 1689 9524 9052 9336 9164 2323 1325 4281 6955 11751 13576 13443 12510 2953 4878 8391 7661 11270 11463 7475 1 7723 8116 8795 16488 11412 7969 3133 9167 11234 10584 28578 30509 12670 12059 28148 26699 40920 34512 28813 7283 28751 10287 17353 9383 22414 20969 31698 29555 591504 579235 11583 13244 20538 14938 18118 12784 9416 11213 14433 13939 74.0355 *74.0355* 74.0355@2.02819 1 1 1 1 1 1 1 1 1 1 1 1 1 2564 1 1 1 1 1 1 1 1 3297 3276 1 1 1 1 1853 2508 1 1 3209 1 1 1 1 1 1 1 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 2994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4860 2183 1 1 1 74.0355 *74.0356* 74.0356@1.5236835 1 1 1 1 1 1196 1 1 1 1 1 1 1 2009 1 1 1 1 1 1 1 1 1 1 1 1 1 3252 1 1 1 1026 1 1939 1 1 1 1 1 1 1 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 1155 1 1 1 1 1 1 1 1 1 1 1 74.0356 *74.036* 74.036@2.8709695 1 1 1 1 2621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74.036 *74.0364* Lactaldehyde - 1.8849502 1 5993 1 1 1 1160 1715 1273 1564 1 1 1549 1494 1525 1 1 2823 2188 1 1944 2315 2405 1858 2176 1605 1917 1 1 1509 1639 1799 1577 2000 1420 10015 5812 1 1569 2360 2000 6543 5943 6469 4103 1495 1229 1 1 1949 1 4865 5762 5635 5774 5684 5639 6568 1602 4794 4096 5346 5865 4981 4762 4071 4895 5419 5518 2362 2068 4998 4679 4907 6004 6077 7036 8315 7967 386282 380511 7496 7598 9059 8734 6042 5888 4148 4661 6568 6593 HMDB03052 C00424 74.0364 *74.0365* Lactaldehyde 44979 46185 52198 53283 72562 73314 71382 73980 67455 66235 70656 73245 59695 59447 65456 63847 54941 57026 60149 60690 54403 54935 121489 126515 61962 62061 58413 55337 59461 61732 52265 56184 57564 56704 57996 57912 62127 65338 69678 68716 49011 49126 66060 61075 60849 61882 60028 58744 60596 63239 73955 73283 70696 69758 81789 77888 58739 57413 85520 83389 76099 75598 53918 53777 60545 60270 66651 65271 52461 52667 64631 64558 73661 74735 59675 63572 70137 72138 87991 87533 63232 64270 88395 90758 73473 75910 65633 67292 64667 64849 HMDB03052 C00424 74.0365 *74.0368* 74.0368@2.363706 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74.0368 *75.0314* 75.0314@3.2145362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5655 5690 1 1 1 1 1 1 1 1 1 1 75.0314 *75.9467* 75.9467@2.674449 3174 1 1 1 1 1 1 1 1 1 1 3067 1 1 3592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3511 4214 1 1 5026 1 1 1 1 1 1 1 3109 1 1 1 1432 1 1 1 4764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 75.9467 *76.0139* 76.0139@10.923236 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 76.0139 *76.0154* 76.0154@5.8485336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2602 1 1 1 1 1 1 1 1 1 1 76.0154 *76.0155* 76.0155@5.737358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2585 1 1 1 1 1 1 1 1 1 1 76.0155 *76.016* Glycolate 1136 1151 1599 1408 1490 1467 1904 1364 1219 1 1589 1200 1 1 1 1 1 1 1380 1144 1018 1142 1 1 1337 1 1934 1710 1 1 1479 1289 1 1 1138 1573 1 1 1155 1 1 1130 1059 1 1 1 1453 1 1 1199 1 1104 1 1 1225 1043 1 1424 1093 1026 1457 1400 1378 1448 1 1223 1795 1930 1587 1773 1083 1061 1271 1378 1017 1221 1091 1255 1 1 1234 1371 1030 1 1239 1266 1164 1438 1 1 76.016 *76.016* 76.016@1.1622894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1325 1265 1120 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 76.016 *76.0161* 76.0161@1.6350539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2326 1 1 1 1 1 1 1 1 1 1 76.0161 *76.0163* 76.0163@5.0713124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 76.0163 *76.0382* 76.0382@1.956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2701 1 1 1 1 1 1 1 1 1 1 76.0382 *76.041* 76.041@1.8913696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2604 1 1 1 1 1 1 1 1 1 1 76.041 *77.9763* 77.9763@1.8867567 1 1 1382 1458 1 1 1 1 1 1 1 1 2014 3589 3666 7337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1493 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 1 1 1 1 1563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 77.9763 *78.0453* 78.0453@1.6275574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1919 1 1 1 1 1 1 1 1 1 1 78.0453 *78.0464* 78.0464@3.0836005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2644 1 1 1 1 1 1 1 1 1 1 78.0464 *78.0465* 78.0465@1.068326 1 1 1 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 1 1 1 1 1 1 5687 5542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3197 3293 1 1 1 1 1 1 1 1 1 1 78.0465 *79.926* 79.926@1.053045 1 1 709350 717409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 691877 681498 1 1 516944 515435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2540 1 79.926 *79.926* 79.926@1.2960182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2075 1 79.926 *79.9927* 79.9927@1.9634461 3348 3078 9516 9443 11943 11339 7161 6102 1535 1232 10828 9593 2572 2675 1754 1880 6854 7330 6193 6132 11461 10855 1 1 3472 3411 15410 13391 2892 2871 11338 10735 5589 5114 3950 4633 2511 2293 5809 5926 12394 12025 2559 2927 2035 2555 7928 7123 11146 13776 4874 5385 4320 3775 4509 4558 10316 10047 3911 4432 19868 19956 13663 12548 23505 22154 87808 77472 11068 12077 11093 11247 4654 5354 6397 6268 10282 10126 19244 18345 9801 10145 9974 10731 20625 19323 15944 14783 5682 5405 79.9927 *80.0011* 80.0011@1.0135113 3044 3214 15344 15583 2214 2349 4861 5305 3158 1 3417 3596 5496 4967 3055 2256 3374 3332 2366 2538 2868 2258 1 2585 2782 3435 2452 3299 2941 3312 2723 2961 1888 1 1887 1583 2759 2613 2635 2881 4961 4378 3485 3060 7281 7321 3956 4013 2965 1 3012 1617 2977 3298 3079 3368 3363 3729 1 1985 3873 3432 14708 13922 4053 3794 9457 9747 3947 3630 2870 2990 3231 3717 3650 3340 4408 4560 5323 5836 1 3143 3440 3498 3434 3396 4925 4970 1369 2661 80.0011 *80.0011* 80.0011@1.0009122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 80.0011 *80.0312* 80.0312@1.0142759 1 1 4098 4137 1 1 1727 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 1399 1 1 1 2096 2027 1242 1326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3858 4148 1 1 2817 2669 1 1 1 1 1 1 1 1 1 1 1799 2063 1 1 1 1 1 1 1 1786 1 1 80.0312 *80.0685* 80.0685@1.9580172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 80.0685 *80.9637* 80.9637@1.9714284 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 2717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1420 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 80.9637 *80.964* 80.964@3.18405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2421 1796 1 1 1 1 1 1 1 1 1 1 80.964 *80.9641* 80.9641@1.6361063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 80.9641 *80.9641* 80.9641@2.2616234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1070 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 80.9641 *80.9642* 80.9642@0.7661588 6334 6658 13700 12399 9010 9585 19361 19449 5014 4326 19942 19738 10577 10725 7222 6595 14341 13557 14906 14842 11841 11233 4225 4133 7907 8748 15782 15426 4774 3444 9433 11960 14620 15323 9841 10174 6780 7036 7259 7654 11118 10631 8307 7440 6315 6441 11723 11371 2432 5204 8757 9316 12019 12530 9419 9110 9427 9474 7258 7064 19593 16861 7808 7773 19752 20376 17464 18270 15036 16190 8597 9568 10739 10494 12880 13697 7040 1 5932 5446 13978 13400 7383 6401 17639 17439 22566 23241 6106 9582 80.9642 *80.9642* 80.9642@0.95159173 5300 4853 4541 5362 4577 5340 3929 5090 4787 4426 5764 4499 4145 4367 5098 3964 4384 4437 5549 6090 3954 4557 4823 5225 5153 4854 5314 5278 4280 3935 3494 5733 5323 4131 5240 4881 5536 5948 5627 6674 5437 4964 5131 4298 4981 5369 5293 5126 5192 5020 4387 4580 5113 4771 5465 5739 5472 5366 4619 4066 4232 4948 6248 5469 5681 6575 6782 6908 6521 7178 5819 6792 5223 5217 5048 5386 5280 4350 6093 4901 5355 5482 4896 4481 5495 6060 6938 7782 4731 5283 80.9642 *80.9643* 80.9643@0.8294736 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 1721 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 1 1 1 1 1 1 1 1 1973 2867 6024 6698 1 1 1 1 1 1 1 1 1 1 80.9643 *80.9644* 80.9644@2.441419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3873 1 1 1 1 1 1 1 1 1 1 1 1 1 2194 1 1116 1 1 1 80.9644 *80.9645* 80.9645@1.1018298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 80.9645 *80.9646* 80.9646@2.3911521 104577 105253 89685 88009 92427 88190 105094 102804 130733 129907 113087 113315 134391 133971 111893 117106 151340 149233 132721 132995 99531 101138 166342 164137 84054 82732 91433 89250 95599 97308 120616 120527 105497 105818 123438 125373 168303 168252 159379 158332 116467 115513 123762 122796 116666 117309 122779 123355 92758 93599 148635 150937 161092 157531 146403 143755 77972 79879 163109 164344 192352 193476 157424 161567 113432 112749 101779 104391 134397 139368 207025 208171 95843 92881 113899 118798 168881 171745 196365 193958 190448 190320 141089 142268 228601 229012 108660 107356 206513 206899 80.9646 *80.9647* 80.9647@2.8927016 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 1 1 1 1809 1 1 1 1 1 1286 1 1 1284 1 1 1 1 1 1 1 1 10142 9612 1641 1437 1 1 1245 1 1 1 1 1 80.9647 *81.0404* 81.0404@2.408603 1 1 1 1 1 1 1 1 1241 1 1 1 1 1192 1 1 1890 1 1498 1 1 1 2109 1903 1 1 1 1 1 1 1 1409 1 1 1 1513 2217 1760 1654 1711 1316 1060 1308 1 1 1143 1198 1433 1 1 1572 1913 1739 1726 1698 1640 1 1 2050 2134 2430 2182 2200 2051 1038 1 1 1 1714 1728 2881 2958 1 1 1365 1291 2072 1 2697 2859 2461 2553 1784 1652 3428 3351 1275 1 2727 2911 81.0404 *81.9709* 81.9709@1.1041114 1309 1 1 1 1 1871 2501 2941 2165 2766 1849 2232 1528 1442 2854 3048 1429 3935 1290 1330 4242 5863 5670 4993 1 1179 1226 1190 3418 3382 4898 1 1807 1814 1515 1677 1661 1960 1343 1014 2868 2991 1 1 2155 2291 1 1 1046 1 4523 4514 4788 4625 2291 2141 1803 1 2541 2098 1 1254 1 1 2157 1259 1484 1 4173 4714 1 1 1 1 1 1 1 1 1 3030 4059 1333 3242 3349 1 1060 2242 2811 2059 2535 81.9709 *81.9714* 81.9714@1.623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 81.9714 *81.9715* 81.9715@1.1453363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3160 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1575 4116 1 1 1 1 1 1 1 1 81.9715 *81.9722* 81.9722@0.8112514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3067 2997 1 1 1 1 1 1 1 1 1 1 81.9722 *81.9725* 81.9725@1.682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 81.9725 *81.9823* 81.9823@1.9666544 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81.9823 *81.9889* 81.9889@1.9577396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2724 1 1 1350 1091 4756 4087 1 1 1 1 1 1 1 1 1 1 1381 1 1 1 1 1 1 1252 1 1 1 1 81.9889 *82.0002* 82.0002@1.0137684 3279 1 1 1 2775 3148 5504 6297 3105 3291 2897 3693 6006 6099 2981 1976 2212 4123 1 3070 2905 2869 3225 2548 3797 3567 3568 3639 3704 3535 3615 3561 1 2312 2282 2180 3232 2809 3002 2264 5254 5544 3496 1 7631 7849 4576 4682 3221 3219 3014 1924 1951 3665 3780 3388 3725 3858 1 2231 4388 1 15779 16366 1 3669 10373 10456 3369 3827 1526 1370 3670 4564 4005 4154 5555 5378 6639 7014 3388 3810 1 3835 3776 3597 5707 5424 3243 3298 82.0002 *82.0008* 82.0008@1.0331266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0008 *82.0289* 82.0289@1.0158108 1 1 1 1 1 1 1571 1661 1 1 1 1 1407 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 1354 1 1 2058 2190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4085 1 1 3085 2802 1 1 1 1 1 1 1 1 1 1 1893 1125 1 1 1 1 1 1 1329 1 1 1 82.0289 *82.1106* 82.1106@1.0151111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 82.1106 *82.9613* 82.9613@2.391352 4900 4494 3709 3916 4427 4107 4623 4869 5324 5905 5452 5006 5915 6210 5391 5427 7078 6546 6165 5327 4442 4174 7993 7660 3541 3519 3658 3484 3880 4468 5446 5344 4414 5098 5575 5594 7152 7914 6904 7122 5208 5013 5241 5111 4978 5107 5710 5692 3911 4238 6549 6831 6577 6620 6573 6943 3518 3685 7305 7664 8311 8617 6976 6698 4510 4710 4519 4267 6348 5773 9337 9092 4161 4336 5076 5586 8109 7499 8273 8284 8698 9054 6228 6305 10481 10016 4923 4325 8972 8208 82.9613 *83.0352* 83.0352@2.0345056 1 1 1 1135 1 1 1 1 1 1 1 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 1175 83.0352 *83.0363* C4 H5 N O 4480 4649 5179 5560 3106 5754 4446 5201 3570 5041 4777 5889 5066 4756 5730 3754 4432 4752 6143 3800 5287 4540 6141 2749 3401 4833 5589 4622 6222 5020 7050 3018 5253 3936 5616 7473 4562 4275 3576 5323 4005 3740 2711 4497 4737 4683 4452 8426 4447 6378 4965 1 5398 4755 4026 1 3732 4390 5313 4643 3394 1 3602 3384 4242 3461 4656 4549 3304 4775 5313 4526 4617 5975 1 4341 4496 6198 1745 4555 4657 4020 5612 3728 5843 3407 5146 4170 3732 3333 83.0363 *83.0364* 83.0364@1.6316262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2587 1 1 1 1 1 1 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 1565 1 1 1797 1 1 6142 7555 1 1 1 1 1 1 1 1 1 1 83.0364 *83.0366* 83.0366@0.8592073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 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@5.7814846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 83.0368 *83.9609* 83.9609@0.70864177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7258 8008 1 1 1 1 1 1 1 1 1 1 83.9609 *83.961* 83.961@0.8265445 1 1 3939 3798 1 1 1455 1695 1347 1457 1670 1 1242 1 1 1 1 1 1 1388 1801 1959 1 1 8342 7240 1 1536 1 1 2946 2955 1 1 1 1 2776 2819 1753 1778 1 1 3177 2865 2726 2279 1 1772 1 1 1 1 1880 2054 1 1 1 1 2115 1758 2372 2458 1390 1256 1300 1 28074 28224 6497 7123 7798 7790 1477 1564 1 1 1 1 1819 1857 1124 1403 1930 1923 1262 1062 2105 2364 1 1 83.961 *84.0318* Imidazolone - 1.9679021 13694 49202 49653 57709 55328 77676 53474 50954 72338 45994 61938 58528 48717 45499 7923 50472 47363 45841 53056 49047 8414 50085 54218 45485 59636 56801 57935 59697 82173 46250 52479 54099 48213 46071 56474 56847 54983 77798 55218 51272 48634 75572 49338 48546 54332 85177 58298 64807 53533 58045 48261 47727 46914 50552 53853 56790 91049 88251 68310 55320 55812 57082 65003 57610 57887 56743 61344 77846 65590 58087 56191 49041 58209 60883 49707 11660 61532 50979 40130 38639 48319 52552 57019 52538 63402 59645 58752 59384 42942 1 HMDB04363 C06195 84.0318 *84.0318* 84.0318@1.9722741 1 1 1 1 1 1 1 1 1 1 1 1 1 10807 49015 1 1 1 1 1 52156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11886 1 1 1 1 1 1 1 57537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0318 *84.0318* 84.0318@1.0188686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0318 *84.0318* 84.0318@0.69923174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26207 84.0318 *84.0319* Imidazolone 34747 1 41454 35418 18704 1 33732 1 10802 1 34089 1 1 37778 39203 41439 45406 1 45648 44642 1 31701 43844 1 17297 1 1 19444 1 39736 1 38771 1 1 1 42927 42560 50463 1 52082 49855 53406 1 1 1 1 32197 1 32852 1 42383 42229 20004 1 57488 55811 57376 1 44395 39604 53522 52105 1 1 29975 54757 44660 1 47888 1 48028 49658 19646 63770 44760 37937 41062 55668 1 52430 1 1 16467 41123 54313 1 1 46198 38572 25606 HMDB04363 C06195 84.0319 *84.0319* Imidazolone - 0.8470633 11776 21541 18257 19469 22705 1 1 14835 19175 10126 1 25732 20909 20903 9714 20352 20038 1 22317 21729 25969 1 23979 1 1 22977 21715 23480 21109 19914 1 23733 11766 1 12265 1 21045 24681 25832 29885 21418 18729 11705 1 29609 22981 17739 25256 21349 20403 24918 25476 24536 29643 1 8875 1 32023 28661 1 23252 24078 26770 26136 24095 24312 24032 10331 15340 17014 24188 20963 16764 22320 12510 25868 19374 27895 34068 32855 1 1 24636 23217 24341 24273 21906 22574 24873 27598 HMDB04363 C06195 84.0319 *84.0319* 84.0319@1.5928909 4778 1 1 1 1 1 1 1 1 1 1 1 1 1 12373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10142 1 1 1 1 1 10911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13482 1 1 17333 1 1 100899 106367 1 1 1 1 1 1 1 16813 1 1 84.0319 *84.0319* 84.0319@0.96296716 1 1 1 1 10138 1 1 1 12105 1 1 1 1 8708 1 1 1 1 1 12117 8430 1 1 1 1 1 1 1 1 1 1 9048 1 1 1 1 1 1 9847 10666 1 11150 1 1 1 8746 8485 1 1 12593 1 1 8606 1 1 1 1 1 1 1 1 1 1 9235 1 1 1 1 1 1 1 1 12080 11675 1 10834 12462 10945 1 1 1 1 1 1 1 1 1 10141 10823 12161 84.0319 *84.0319* Imidazolone - 1.0847108 1 1 1 6178 1 1 1 22202 1 1 1 24026 1 1 1 1 1 1 1 29432 1 1 1 1 1 1 1 1 1 1 27972 9074 13265 8204 28009 1 1 32439 24312 29218 1 15174 1 1 31293 22704 1 33604 30251 15777 11218 1 24903 1 1 1 1 1 1 1 34217 19585 1 26799 16463 26223 1 27188 28584 1 1 1 1 6973 25767 14640 17067 33870 1 1 1 20657 1 15118 25065 29709 27374 29326 18292 19668 HMDB04363 C06195 84.0319 *84.0319* 84.0319@1.3966986 11514 1 30463 32188 1 1 1 1 10912 1 1 1 1 23913 9431 23062 1 1 1 13770 7847 1 1 1 1 1 1 1 1 1 33456 1 27130 1 1 1 29118 31832 26130 20654 1 1 1 1 23460 27224 24960 1 33639 26751 1 1 1 1 1 1 1 1 1 1 1 36552 1 1 1 37157 31972 28283 1 1 32834 22479 39336 41448 1 22548 1 1 1 1 1 1 1 35126 33837 1 33476 29853 38671 24768 84.0319 *84.0319* 84.0319@1.5067025 7965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10044 1 1 23362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0319 *84.032* Imidazolone - 1.1732987 57267 1 58291 52839 40203 42699 60013 41054 73616 74184 51251 42611 42936 7517 50185 1 44614 45246 43617 44172 57590 54002 44359 43306 44484 54611 62740 37838 58197 49915 49316 47281 64625 62340 49013 69093 1 46821 47401 45113 69641 53203 73400 49935 49335 60467 77763 48355 51523 72508 51885 64349 52495 45978 57868 66604 38139 46798 59429 62891 54693 71799 75599 55118 78130 59247 53800 52118 53311 77671 75983 80357 82354 87385 64598 68863 67156 52896 71915 71553 41387 39079 67683 59031 72408 69415 62468 61757 63939 49556 HMDB04363 C06195 84.032 *84.032* C3 H4 N2 O 69034 15880 1 20978 8824 1 21476 1 1 1 23875 23448 1 5651 20859 1 26420 24042 23108 26838 25348 24618 20103 1 1 1 1 25176 1 1 25979 28593 24020 1 26251 26039 17884 1 26813 1 1 1 1 1 26301 1 25083 26462 28819 23108 24001 1 1 10467 24423 1 1 1 1 23760 25022 1 24404 1 1 27804 23171 15938 28044 1 1 26274 24741 26167 27360 27287 1 1 31152 32183 1 26372 27744 18342 1 25814 1 34455 1 28236 84.032 *84.032* Imidazolone - 5.7556376 8681 1 1 1 1 1 1 25321 1 1 1 41720 1 5516 1 1 1 1 1 11890 1 28391 14551 10897 1 41391 12151 1 1 1 1 1 24539 1 1 1 1 59019 36162 1 41731 58692 1 1 1 1 1 1 40941 53963 59161 1 45372 61241 1 1 1 35239 41590 1 41489 41727 69208 47434 31713 1 1 1 1 1 17957 1 10193 9392 1 40121 45676 22068 1 27500 47700 1 32015 22878 1 46292 1 43699 1 1 HMDB04363 C06195 84.032 *84.032* 84.032@3.0007496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6461 1 1 1 1 1 1 1 1 1 1 1 13246 1 1 1 1 1 17121 1 1 1 1 1 1 1 1 1 1 1 1 23904 1 1 1 1 1 1 1 1 1 1 1 1 47387 1 1 1 1 1 1 1 6171 1 1 1 1 1 1 1 1 81936 1 1 1 1 1 1 1 1 84.032 *84.032* 84.032@5.6836677 1 1 1 1 1 1 1 12827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15817 1 1 1 1 1 22664 1 1 1 1 1 1 84.032 *84.0321* Imidazolone - 5.591784 12092 11634 1 40442 1 51837 52474 20840 53096 14114 11611 13566 12489 5811 1 1 1 1 54719 1 1 6527 1 23872 41532 11709 1 1 59232 14606 43100 1 1 1 55524 16994 1 11069 1 43370 6488 18599 39352 1 59640 34395 65018 16962 22505 9941 11805 42495 19930 14403 48821 46844 1 12910 20107 48256 13124 1 12156 1 30929 16190 65865 1 46465 44245 10314 63421 13705 18540 50664 12474 1 15016 1 33942 1 1 32648 7163 47837 1 16502 20076 44384 15992 HMDB04363 C06195 84.0321 *84.9372* 84.9372@1.97691 1 3989 1 1205 1 1 1 1471 1 1 1 1 1 1 1 1 1 1 1 1 1304 1423 1 1143 1465 1 1 1 1 1 1 1 1136 1208 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 84.9372 *84.9379* 84.9379@6.8858438 1 1 1 1272 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 1582 1 1 1 1 1173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1139 2936 1970 1 1 1 1 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1063 1 2384 1 1 1 1 1699 1 1527 1 1526 1 84.9379 *84.9379* 84.9379@6.1077476 1 1 1 1 1 1 1 1 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 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 1501 1 1 1 1 1 84.9379 *84.938* 84.938@1.1245167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.938 *84.9386* 84.9386@3.755886 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 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 84.9386 *84.9675* 84.9675@1.2025796 1308 1368 1357 1181 1179 1061 1 1 1565 1 1448 1323 1805 1484 1574 1757 1 1042 1523 1603 1576 1182 1700 1645 1124 1 1003 1 1 1 1118 1 1541 1353 1 1378 1 1136 1354 1317 1181 1227 1364 1459 1 1 1 1 1 1178 1260 1297 1027 1160 1189 1 1395 1425 1 1274 1 1 1 1132 1 1324 1061 1 1 1 1 1086 1224 1282 1107 1053 1 1 1 1 1 1 1 1 1 1 1065 1 1 1 84.9675 *84.9675* 84.9675@0.6863188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2067 1 1 1 1 1 1 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 84.9675 *85.0285* 85.0285@1.6053271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1680 1416 1 1 1 1 1 1 1 1 1 1 1 85.0285 *85.0287* 85.0287@1.8534166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 85.0287 *85.0322* 85.0322@1.678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 85.0322 *85.0338* 85.0338@0.69761246 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1932 1 1 1 1 2411 1 85.0338 *85.0347* 85.0347@2.0684144 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 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 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 85.0347 *85.9582* 85.9582@0.81244755 1 1 1111 1444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2445 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 9549 9798 2572 1 2471 2716 1 1 1 1 1 1 2011 1 1 1 1 1 1 1 1 1 1 1 85.9582 *85.9979* 85.9979@0.8765855 4461 3950 3860 4083 4012 4434 4254 3844 3803 3628 3582 3545 4533 3320 3783 3718 4443 4620 2874 2768 3839 3648 3165 3157 3590 3683 3596 3391 3020 2987 3797 3661 3678 3835 3936 3755 3415 3398 3622 3310 3372 3612 3187 3484 3378 3626 3586 3256 3292 3021 3201 3688 3850 3852 3259 3258 3800 3306 3616 3383 3247 3737 3232 3253 4297 4534 3627 3492 2991 3093 2762 2195 3158 3439 2865 3012 2708 2679 1 3057 2929 3284 3675 2828 2977 3027 2862 3038 3129 3033 85.9979 *85.9995* 85.9995@2.0141006 1 1 1 1 1 1 1 1 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 2703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.9995 *85.9996* 85.9996@2.0459611 1 1 1 1 13049 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 1193 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 85.9996 *86.0003* 86.0003@1.7852659 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0003 *86.0007* 86.0007@2.269837 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0007 *86.0354* 86.0354@1.3756737 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 3219 1 1 1532 1 1 86.0354 *86.0354* 86.0354@2.8236635 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0354 *86.0358* 86.0358@1.5347264 1 10165 1 1 1 1 1 1 1 2023 2719 1 1 1 1 1 1 1 1 1762 1 1 1 1671 2199 1 1 1 1 1 1 1 2682 15212 1332 1 1 1 1 1 1462 1 1 1 1 1 1 1 1 1 1 6627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4252 1 1 1 1 1 1 1 1 2645 9076 1 1 1 1 1 4438 1 1 1 1 86.0358 *86.036* 86.036@2.859557 1 1 1 1 1 1 1 1 1071 1 2882 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.036 *86.036* 86.036@1.8927103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.036 *86.0361* Crotonic acid 7309 1 1 1 9644 1 6491 5606 1 1 12429 1 13585 1 1 1 2835 1 1 2061 6741 1 1 6906 1 1 20667 1 1 1 1 1 12265 18424 1 1 6309 1 14322 13938 4353 1 1 1 1 1 1 1 1 2622 1 1 1 1 3336 1 1 1 3611 1 1 14926 1 3237 1 15857 9264 11544 1 9839 1 1 2766 1 6678 6692 1 14347 13079 1 14211 9162 1 1 22481 23144 17380 13425 1 4330 HMDB10720 C01771 86.0361 *86.0361* 86.0361@3.0402298 1 1 1 3346 3419 1 1 1 1161 1 2155 1 1 1 1 1 1 1 1553 2335 1 1 1 1 1 1 2542 1 1 1 1 2023 1890 1 1 1 1 1 1 1 1 1 2299 1523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3164 1 86.0361 *86.0362* Diacetyl - 1.9789566 3700 11252 7330 16396 6478 10337 10820 6760 18348 18538 10654 20551 11343 25199 18161 15174 8822 5583 23277 3343 10326 6863 7740 7446 9436 7652 3625 23626 12066 10086 18444 17496 11638 7512 12971 14986 5800 16934 11820 13896 6755 5318 18464 4691 15173 16729 10895 4165 9896 7143 7071 22203 25684 18685 7449 11025 1 9936 1713 1 19539 16519 11001 7500 10021 13103 10561 10930 12885 11976 44733 55199 13808 18196 12223 18676 42833 21506 32726 47096 19665 19414 17007 21998 28637 28217 15302 23979 24700 21380 HMDB03407 C00741 86.0362 *86.0362* Diacetyl - 2.955511 1140 1308 1 3120 3324 1888 2373 1 3190 1 1493 2504 1417 1919 1 1 2084 1 1070 2360 1 1 1146 1477 1 2616 3419 5464 3773 5862 1 1540 1336 1849 1 1 1 1 5818 3973 1205 1417 1524 1983 1 1591 3143 1 1 1 1 1 1 1 1 1 9337 5864 2187 1 1 3378 1423 1 1 2078 1 2827 1 2758 1 1 1 1 3528 2888 1 2319 1 1 1 3920 1 1 1941 1899 1 1746 1527 1 HMDB03407 C00741 86.0362 *86.0363* Diacetyl 2006 1709 1380 1530 2472 2344 3894 3974 3319 3653 7720 7475 4561 4925 1807 1420 1614 1731 4286 4056 1913 1858 2560 2499 1224 1396 1658 1409 2180 2205 1486 2043 3222 3648 4325 4269 1957 1779 4836 4902 3696 3555 1652 2008 2280 2317 3333 3639 3208 3053 1642 1682 5574 5327 2430 1948 3443 3469 3363 3521 7796 7912 2008 1512 6907 7271 5167 5405 13717 12446 5035 4394 3536 4008 3124 3307 4905 4010 9880 9696 2103 2591 1 2182 4294 4127 6873 7149 2016 2099 HMDB03407 C00741 86.0363 *86.0364* Diacetyl - 1.7367859 19867 10912 29923 28583 33399 31219 37956 38250 25079 24064 42345 42969 46121 48756 43826 42889 29969 27270 45552 44095 42000 36801 24461 26653 23696 22024 44691 41137 15944 15692 28019 29312 45097 29135 22993 21930 27156 27041 46314 45791 32872 33186 27822 23917 26158 23248 17967 17839 18167 15307 41030 30242 36927 36803 12369 12671 18066 18141 18294 21370 48061 52806 20857 23227 36162 37514 22162 28017 19608 19682 98152 97455 21932 24309 34367 37426 62010 62430 119631 115566 52452 49835 48032 45820 61062 63069 53662 55640 47826 48343 HMDB03407 C00741 86.0364 *86.0365* 86.0365@2.947716 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0365 *87.0077* 87.0077@3.1162121 1 1 1 1 1 1 1 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 1 1 1 3844 3595 1 1 1 1 1 1 1 1569 1966 1 1 1 2729 3039 1 1 1 1 87.0077 *87.9935* 87.9935@5.6613445 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.9935 *87.994* 87.994@5.7588396 1 1 15449 1 1 13121 1 1 7951 1 13403 1 1 6821 1 1 11236 1 1 1 8259 1 6595 1 1 1 1 1 9310 5571 1 1 1 8855 1 1 3554 6349 7082 1 1 5522 1 1 1 1 1 3007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.994 *87.994* 87.994@5.635248 1 1 1 1 1 1 1 1 1 1 5783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7936 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.994 *87.9947* C6 O 39752 35953 22464 37309 9683 10707 15724 1 11282 21228 8397 11167 30928 24220 28009 28725 17718 17871 1 25116 18147 19539 19037 25488 4694 9310 21545 8054 7160 9369 11102 13416 6882 11099 19781 4773 13955 12029 4231 4972 19023 2402 17421 1204 8089 17094 11542 5650 11831 17167 13656 12496 15955 3773 12059 16745 2945 6107 4482 4878 14551 2956 13553 9080 10283 3831 9300 2235 12659 8550 5594 12696 6089 11884 5295 1 5122 4959 5105 5029 11713 2507 2427 3643 10729 3735 1 3250 1807 7278 87.9947 *87.9949* 87.9949@5.5798645 1 2187 2935 3705 1 4365 20547 1 2059 11596 2253 2062 2141 2054 2360 1 2532 10367 1 2892 1664 1 1684 1 1 1928 1 1 1859 2119 8852 7620 5226 1026 1 1271 1840 1093 5142 8586 1 1234 1 1 1 1 5337 8083 5477 1 3146 1172 1 1 1 1067 3676 7831 3905 9280 1 4035 1 1 1598 5747 1 1792 1 3489 1 1 5918 1 5927 1 6032 2062 2714 1 1 5051 2192 6386 1 5599 1 1 1 2797 87.9949 *87.9951* 87.9951@5.5982785 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 1136 1 1 1 1 1 1 5964 1 1 1 1 1 4838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3072 1 1 1 1 1 1 1 1 1 1 1 1 2417 1 1 1 5724 1 1 1 1 1 1 1 87.9951 *88.0154* 88.0154@1.977078 1 1 10230 1 1 1 1 1 9594 1 1 6209 1 5546 5553 6908 1 1 1 1 1 1 1 5272 1 5587 1 1 1 1 1 1 1 8086 1 1 1 1 20458 1 1 1 1 1 10326 1 1 1 1 1 1 4507 1 2541 1 1 1 6515 1 1 1 1 1 1 5114 1 1 1 1 5725 1 1 1 1 1 1 5047 1 1 1 1 1 1 1 1 11267 1 1 1 1 88.0154 *88.0155* 88.0155@3.8887093 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 2049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3187 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 3995 1 1 88.0155 *88.0155* 88.0155@4.420687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 88.0155 *88.0156* Pyruvic acid - 2.0019042 10774 8833 1 11292 7918 14024 4197 5046 1 1 1 1 10191 2500 2497 2379 2177 1960 7439 7933 5260 4358 8076 3389 7627 2332 11115 13174 4005 1 1 10657 11402 1 6930 4433 6227 9232 1 10956 1 1 12544 10408 1 9833 4419 5027 1 1 1 1 1034 2550 2728 4666 11578 3559 1 1 1 1 1 1605 1421 5169 1 1 10196 2032 1 1 6008 4297 1819 1 2758 3222 2379 1 1 1 1 1 10631 5868 5190 2611 1 1 HMDB00243 C00022 88.0156 *88.0157* Pyruvic acid 29754 4517 1745 1225 8784 5250 32326 35074 2254 38858 3336 39020 2195 1096 1192 49007 27345 18366 44014 2855 4206 40457 7352 36691 2747 24359 31504 28958 20043 18078 4009 70810 9265 6743 11593 10709 6019 6469 4566 49787 1 1 10946 7460 48650 49804 38585 1828 38043 36311 1 1 1 4539 1 1 6433 6702 5917 1 19202 18594 1 12250 1 1 1 1 37631 2829 1 1 1339 1 1 4740 30294 1 1 8673 1 1 1 1 1 1 32339 2829 3280 1 HMDB00243 C00022 88.0157 *88.0157* 88.0157@3.6102962 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 2620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3078 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 1 1 1 2622 1 1 88.0157 *88.0157* 88.0157@3.755532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1761 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 1 1 1 1 1 1 1 1530 1 1 88.0157 *88.0158* Pyruvic acid - 3.3105016 1 31214 32265 32811 39050 38555 1 1 39354 1 39297 1 47627 45457 45295 1 1 6226 1 43657 35576 1 36041 1 27000 1 1 1 1 1 73499 1 48090 50011 37583 41170 34504 35667 50591 1 1 1 40093 45602 1 1 1 36139 1 1 1 1 1 1729 1 1 48454 50320 1 1 1 1 1 1 1 1 1 1 1 40990 1 1 1 1 1 1918 1 1 1 1 1 1 1 1 1 1 1 24496 1 1 HMDB00243 C00022 88.0158 *88.0159* 88.0159@4.076615 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 1 5325 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 1 1 1 1 1 1 1 1 1 1 1 1 1766 1 1 2658 1 1 1 1 1 1 1 1 1 1 1 4386 1 1 88.0159 *88.0159* 88.0159@3.2792253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88.0159 *88.0159* 88.0159@6.822242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2283 1 1 1 1 1 1 1 1 1 88.0159 *88.016* 88.016@3.083855 1 1 1 1 1 1 1 1 1 1 1 1 1699 1 2619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2072 1 2385 1 1 1 1 1 1 1 1 1 1 2793 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 2101 1 1 3978 1 1 1 1 1 1 1 1 1 1 1 3168 1 1 88.016 *88.0161* 88.0161@1.1444284 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88.0161 *88.0164* 88.0164@1.6228004 1 1 3150 1 1 1 1 1 1 1 3366 1 1515 3352 1 1 1 1 2479 1 1 1 1 1 1 1 1 1 1 1 1 2812 1 1019 1 1 1 1586 1 1 1 1 3828 1 2200 1 1 1127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1360 3570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88.0164 *88.0169* 88.0169@1.569173 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 1 1 1 1 1 1 1 1 1 1 1 1 1 88.0169 *88.051* 88.051@2.0277178 1 1 2852 4043 1 1 1 1 1 1 1 5618 1 1 4218 1 1281 1 1 1 1 1 1 1 1 1 1 1347 1 1 1 1 1 1 1 1 1 1 1 1 1281 1 1 1 1251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5020 1 1 1 1 1 1 1 1 1 4314 2854 1802 1328 1 1907 1980 1 1 1 1 1 1 1 7535 1 1688 1 1 88.051 *88.0511* 88.0511@1.3851664 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88.0511 *88.0514* C4 H8 O2 13345 3089 16264 17137 13859 17012 24009 23363 17001 17479 31059 28908 19006 15430 8087 12314 16754 14741 21225 19306 14751 16358 32345 33943 11514 8919 23815 4029 8399 7406 20906 16655 13548 16591 11116 16751 10998 11241 15549 14445 10820 3267 8449 9812 9292 7572 5649 14677 15993 17258 24175 23676 33109 23253 10636 11303 18753 13203 26251 23407 23536 21964 11036 12663 21076 21777 21139 21308 18473 41626 25182 23598 8308 22936 11100 13156 14729 13901 19578 15692 28284 15534 14890 21400 51905 50312 31923 35281 1 13132 88.0514 *88.0516* Acetoin - 1.7186093 1 1 14087 1 3962 18187 1 17676 26659 1 29144 5011 5475 1 8248 5785 5094 8193 16099 1 25578 23405 48982 40694 1 1 1 16875 21697 18582 8756 38233 5712 5910 31678 9109 7462 1 15361 5437 29222 17288 20051 34636 30424 8037 22369 10342 4233 37635 11818 35234 10574 15073 26266 28476 1 18384 27727 60310 1 1 10355 16521 1 31246 35020 40035 11218 34015 1 29227 22443 17981 23918 17653 20254 24599 1 222427 30823 19551 18844 32204 34657 26870 15324 28500 44255 41793 HMDB03243 C00810 88.0516 *88.0517* 88.0517@1.8595529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3306 1 1 1 1 1 1 1 1 1 1 1 3910 1 1 1 1 88.0517 *88.0518* Acetoin - 1.7995661 10853 7726 1 13454 1887 1 12187 1 1 13181 1 28119 1 29842 9030 1 13712 18000 1 13509 1 1 1 1 10197 9504 15366 16226 1 1 26894 1 28915 13229 1 1 11476 22225 1 10496 1 9027 1 1 1 7575 13352 1 31418 1 16564 1 24757 1 1 1 1 1 20801 1 1 5074 8641 1 14170 13525 1 1 12919 1 1 26690 1406 12320 1 1278 6535 1 15294 10369 1 11431 55686 1 1 16558 22237 1984 1 1 HMDB03243 C00810 88.0518 *88.0519* Acetoin 12517 12262 14911 15247 15378 15437 19669 19991 27839 28231 23968 24625 16931 16443 17275 17628 19123 18196 22946 21606 22444 21882 21681 20970 16030 16791 13792 14210 13812 14473 18776 20847 22910 22275 13400 14397 18445 18322 15826 15970 12593 13780 20518 19827 19230 19532 16073 16976 19453 18292 19294 19667 19545 20399 14962 17000 15105 15369 25091 22825 25017 24451 11974 12927 20555 20316 17885 19261 13572 14233 14365 13618 15296 14322 18494 18738 17367 18138 21631 21396 19420 19825 19037 18381 14185 13880 22607 23456 13447 14479 HMDB03243 C00810 88.0519 *88.0519* 88.0519@1.1474433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1124 1 1 1 1 88.0519 *88.052* 88.052@1.6467999 1 1 1 1 1 1 1 1 1 1 3324 1 1 1 1 1 1 1 1554 1 1 1 1 1 1 1 1 1 1 4084 1 1 1 1 1 1 1 1 1 1 1 1 1817 1 1 1 1 1 1 2092 1 1 1 1 1 1 3294 1 1 1 1 1 1 1 1 1 1 12858 1 2567 8348 1 1 1 1 5870 1 1 444275 218081 1 1 1 1 5506 1 1 1 14567 1 88.052 *89.0431* 89.0431@3.5047371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.0431 *89.0455* 89.0455@3.500809 3800 1 1 1 1 1 1 1 1 1 1 1 3770 2447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5487 1 1 1864 1 1 1 1 1 2963 7933 1 1 1 1 1224 1 1 1 1 1 1 6255 1 1 1 1 7667 7243 1 1 1 1 2477 2637 5507 1 1 5211 1 1 3509 11314 1 5221 1 1 6832 6609 1579 1536 1972 1850 89.0455 *89.047* 89.047@6.4111495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1768 1 1705 1376 1334 1 1 1214 1 1 1870 1820 1151 1 89.047 *89.0472* beta-Alanine 1 1 1870 2121 2840 2560 3092 3312 1972 2322 2699 3089 2525 3196 2439 2019 2790 2461 3093 3143 2212 2507 3078 3291 1 1428 1 1982 2590 2728 2840 2559 3685 3113 2273 2383 5189 4390 3275 3542 3885 3669 3252 2561 1830 2213 2412 2700 2233 2509 2219 1997 2519 2637 1876 2158 1616 1501 2637 2415 2718 2724 2327 2464 2573 2653 2211 2343 2681 2602 5047 4861 2415 2688 2425 1945 3020 3295 4082 3636 3884 3259 3099 2861 3490 3695 2366 2031 3537 3648 C00099 89.0472 *89.0474* 89.0474@2.546628 1 1 1 1 2642 2874 1 1 2099 2274 2089 1542 1 1 1 1 2250 1 1922 1941 1 1 1 1 1 1 2474 2137 1 1 1 1 1 1 1 1 1 1 2684 3186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1912 2072 1 1 1 1 1 1656 2708 2712 1 1 1 1 1358 1 1 1 1 1 1 1 6665 7030 2549 2671 2349 2365 1 1 1 1 1883 1829 89.0474 *89.0474* beta-Alanine - 6.9398165 2846 2667 3795 3254 3309 3533 4008 3591 4467 4801 3917 4088 3640 3224 4214 4218 4002 3689 4256 4019 3465 3324 3837 4306 3875 4115 4869 4656 2777 2894 4288 4545 3295 3635 3942 3296 2436 3185 4600 4619 4142 3618 3527 3653 3885 3885 2666 2430 3369 3292 8644 8219 5760 5910 3510 4107 4321 4803 2899 3153 5999 5287 3649 3377 5405 5639 3964 4070 4681 4207 8454 8231 3078 3114 5242 5317 9877 9793 8911 8922 9729 9807 7950 8721 8978 9548 8420 7987 6046 6004 C00099 89.0474 *89.0556* 89.0556@1.768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 89.0556 *90.031* 90.031@1.6171137 1 1 1 1 1 1 1 10469 1 1 1 1 1 1 1 1 1 1 1 1 8473 8712 1 1 1 6713 1 1 1 1 1 8787 7291 8535 1 1 1 1 1 1 9436 8513 11634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12390 1 1 1 9016 12920 1 9580 1 1 1 1 1 1 1 1 1 1 1 1 106366 108858 1 1 1 1 1 1 1 1 1 13621 90.031 *90.031* Lactate 17835 22070 23353 26295 21850 24015 32224 31624 25101 21769 1 31462 23126 20680 20829 21855 21013 33893 35070 26895 29074 29263 26658 24404 32029 31255 40917 44955 28082 27967 32460 30760 37970 21959 29369 33998 37252 36220 38856 29752 26894 31385 27622 17502 34603 29933 39928 35832 29719 33533 28330 32664 1 1 29454 34137 32646 35986 47605 28951 41867 40851 42670 57135 35279 37970 43188 40521 48588 40334 35033 52213 38330 37936 26032 34322 32719 39364 40320 38844 36089 34095 52830 35980 42929 39705 41832 41969 40075 30791 90.031 *90.031* 90.031@1.8471304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11909 16839 1 1 1 1 1 1 1 1 12551 1 1 1 1 1 1 1 1 1 6634 1 1 14232 1 1 1 1 1 1 90.031 *90.0313* 90.0313@5.8079877 14551 1 1 14351 1 1 1 1 1 1 1 1 1 15157 1 1 1 1 1 15440 22594 1 1 1 1 1 1 1 1 28782 1 19463 16384 33791 13528 1 1 1 43417 1 1 1 1 1 1 1 1 1 20750 1 34189 1 1 1 1 1 1 1 1 1 1 24660 1 1 29143 27007 1 20861 1 1 1 1 27202 25896 1 1 1 30572 58634 44106 1 103832 1 33694 1 1 1 43611 1 1 90.0313 *90.0313* 90.0313@4.845122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0313 *90.0314* Lactate - 5.6089334 31017 46219 1 34150 1 1 32068 1 32820 1 34069 53438 49554 31884 1 48752 40794 36910 40989 29935 38569 1 1 56247 51231 56816 1 1 36834 29073 40106 37152 55783 31284 53421 1 1 55173 17184 56294 36799 1 31050 41679 54128 35807 34981 33834 49759 41717 33669 40765 1 42330 36814 30238 47247 61823 55777 52218 1 54601 43985 1 52626 43312 34568 37001 41957 1 30553 38138 46559 40715 45529 52735 45031 54156 52013 39127 43887 32316 49370 48503 48965 46143 56155 53317 66727 1 90.0314 *90.0314* Lactate - 5.7357388 24867 31846 1 27226 1 1 33029 1 24236 30707 30514 38031 41058 24246 30448 37339 42170 47022 36757 30469 38168 34185 40237 57783 40828 37273 45145 49996 31040 30948 43585 43129 32716 38782 53323 35839 37474 47322 48450 56313 37219 43710 41254 43625 43245 36820 37202 42509 52935 47614 68827 94668 50480 71824 71416 50695 79635 63447 55971 1 138467 67456 59136 51147 75798 62692 56640 67735 57750 56184 75260 102939 53147 57082 63227 88509 114198 72673 93251 100624 117363 47373 113096 76031 108352 106383 126114 79397 75311 96841 90.0314 *90.0314* Dihydroxyacetone (glycerone) 86927 14762 17924 11105 141967 130068 167029 136420 91704 16345 83806 80067 103775 112157 88960 19027 1 1 23975 113572 89780 19227 16038 1 9516 187834 18807 1 203990 131899 77291 16959 1 1 16590 95880 118171 110972 492683 1 12282 1 129417 121694 116644 101385 28290 165831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11411 1 1 1 1 1 1 1 1 1 223445 14453 1 232707 1 1 885528 1 1 1 1 1 1 1 1 355432 1 1 C00184 90.0314 *90.0314* 90.0314@5.030899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24087 1 1 24307 1 1 1 1 1 1 1 1 1 1 1 27056 1 1 90.0314 *90.0314* 90.0314@2.3794174 10882 1 13172 17934 10089 1 17900 21639 16394 1 1 1 1 1 1 1 1 1 1 1 8260 19490 1 1 13103 1 22228 12109 1 1 1 15739 1 1 17340 17124 1 1 8274 1 1 16364 13978 1 1 1 1 23713 1 1 10863 1 1 1 14997 1 1 1 1 1 13776 1 1 1 1 1 1 1 1 1 1 13332 1 1 21400 18148 1 17255 1 1 1 1 16511 12452 1 1 14376 1 1 20072 90.0314 *90.0314* 90.0314@5.755947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0314 *90.0315* Lactic acid 20171 31221 20372 19428 157596 145002 115812 28284 110067 144460 35467 32199 17673 26663 23478 25030 36611 37900 1 1 163239 23420 1 1 171384 162895 20697 30518 26805 26541 39632 126041 11564 1 21500 19462 16095 28343 20996 33741 21428 18825 20114 34944 24980 1 121199 132154 1 25864 21741 29263 29508 1 16355 32570 28658 32854 1 1 30758 197902 1 25411 159353 47141 158348 36680 33052 10790 226208 36802 236911 221403 17186 23998 44523 28592 313035 298909 37848 36805 25750 29226 37118 38958 27560 41201 27248 22409 HMDB03328 C00186 90.0315 *90.0315* 90.0315@6.929396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13925 1 1 1 1 13521 13013 1 8457 1 1 1 1 17487 14279 1 10771 1 1 90.0315 *90.0315* 90.0315@3.291481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435383 1 1 431504 488602 1 1 1 487783 1 1 1 1 1 111472 240685 404645 1 289775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332586 1 1 1 1 1 279781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206751 1 1 189731 1 1 1 1 1 1 1 1 1 1 1 192662 1 1 90.0315 *90.0315* 90.0315@4.046432 25151 1 1 1 1 1 1 1 1 1 1 1 1 30871 1 1 1 1 1 1 26115 1 1 1 1 1 1 1 1 1 1 1 35083 1 1 1 1 1 28822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27820 1 1 28500 1 1 1 1 1 1 1 1 1 1 1 17954 1 1 90.0315 *90.0315* 90.0315@3.4398422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12190 1 1 1 1 1 1 1 1 1 276191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0315 *90.0315* 90.0315@2.8294775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9488 1 1 1 1 1 164096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 *90.111* 90.111@3.3021452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 90.111 *90.1111* 90.1111@3.3731148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.1111 *90.1115* 90.1115@1.6231247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 90.1115 *90.1116* 90.1116@3.242485 1 1 1 1 1 1 1 1 1 1 1 1 1 8667 1 1 9238 1 1 8498 11335 4734 1 1 1 3051 1 1 1 1 6380 5880 4342 1 1 1 1 9439 12237 1 1 1 1 1 1 1 1 1 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 13656 1 1 90.1116 *90.1117* 90.1117@3.2556822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 90.1117 *91.0161* 91.0161@0.8831723 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91.0161 *91.0166* 91.0166@1.0422648 2827 1 1 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 1581 1 1 1 1 1 1140 1 1 1 1 1 1 1 1 1 1 1 1 2268 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 91.0166 *91.0168* 91.0168@0.6667476 1 1 1 1 1 1 1 1 1 1 3585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4668 1 1 1 1 1 1 1 1 1 1 1 1 1 6516 1 1 2953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9953 1 1 3641 1 1 1 1 1 2331 1 1 1 1 1 1 1 1 91.0168 *91.0171* 91.0171@1.4328967 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 2377 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 1 1 1 91.0171 *91.0175* 91.0175@2.9821658 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 4245 2350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91.0175 *91.0182* 91.0182@1.9910381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1530 1 3161 1 1 1 1 1 1 1 1 2165 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 91.0182 *91.0198* 91.0198@1.982261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91.0198 *91.0213* 91.0213@2.8248966 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91.0213 *91.0279* 91.0279@5.7684684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 91.0279 *91.0298* 91.0298@3.895746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1589 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1285 1 1 91.0298 *91.0299* 91.0299@3.797946 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91.0299 *91.0321* 91.0321@3.5568366 1 1 1 1 1 1 1 1 1 1 1 1 1 4002 1798 1 1 1 1 3325 1 1 1 1 1 1 1 1 16251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2570 1 1 91.0321 *91.033* 91.033@3.2248461 19433 1 1 1 1 1 1 13807 8272 17908 17403 5067 7005 9420 12631 1 1 8097 1 4109 28802 32644 23351 1 1 1 43061 1 1 1 1 3672 1 1 1 1 1 1 1 24329 17196 1 1 1 1 5618 5619 1 5272 1 1 1 1 24320 1 4473 1 40468 1 1 27550 27430 1 23381 1 1 1 1 1 1 28488 1 1 1 1 1 1 5641 1 1 1 21514 1 1 1 60361 4638 1 1 1 91.033 *91.033* 91.033@3.0441105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91.033 *91.0332* 91.0332@3.3368742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3203 1 1 21223 1 1 1 1 1 1 1 1 1 1 1 1 1 3117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91.0332 *92.0331* 92.0331@1.0505171 1 1431 1 1 1 2123 1 1306 1 1 1 1 1 1 1 1 1816 2640 1 1 1 1 1 1 1 1 1 1 1779 1 1 1 1 1 1 1 1 1 1 1516 1 1 1 1 1 1 1 1 1 1 1 1 1893 1 1 1998 2111 1 1 1 1 1 1 1 1 2037 1 1 1 1 1 1 1623 1 1 1 1 1 1 1 1 1 1 2021 2166 1936 2460 2357 1 1 92.0331 *92.0347* 92.0347@3.86314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 92.0347 *92.0356* 92.0356@3.187071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1099 1 1 3740 1 1 1 1 1 1 2416 1 1 1 2214 1569 1 1 2919 1 1444 1 2049 1 1 1 1 1 2708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1134 1 1292 1 1 1 1 1298 1 2042 1 1 1 2765 1 1 1 1871 1537 1 2026 1689 1 92.0356 *92.0583* 92.0583@1.1475519 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 92.0583 *92.0608* 92.0608@1.1431193 1 1 1 1 1 1 1 1363 1 1 1081 1039 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 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 2218 2030 1134 1076 1 1 1 1 1651 1644 1 1 92.0608 *93.0317* 93.0317@1.9892908 6065 11373 5257 12040 6898 7094 14189 8710 12134 12429 7467 13034 8145 5252 10027 11470 9692 7145 12510 15759 3248 11527 9001 8805 11688 12340 14586 7532 14022 12866 6360 13864 12098 6825 14700 5247 5687 14687 7204 15327 5203 11233 6063 13346 13039 12830 8298 6031 15765 1 12556 6503 2646 10805 13628 13365 15280 9756 13172 11454 14197 14137 1 14771 6588 12846 10004 11728 9153 14857 12610 10994 7582 11705 7298 8277 6399 5453 13712 14095 5779 10984 15305 14754 14380 1 16252 9625 14937 13936 93.0317 *93.0317* 93.0317@2.036149 1 1 7216 1 1 5043 1 4578 1 1 1 1 1 5382 1 1 1 7553 1 1 1 1 1 1 1 1 1 1 1 5195 1 1 1 5616 1 5235 1 1 1 1 1 5176 6506 1 1 1 1 6848 1 1 1 1 4956 1 1 1 1 5683 1 1 1 1 1 1 1 1 1 7018 1 1 1 1 6850 5282 6967 2209 11136 1 1 1 1 1 1 1 1 1 5870 1 1 1 93.0317 *93.0317* 93.0317@1.2391824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 2571 93.0317 *93.0319* C4 H3 N3 1 1 5110 4170 5398 1 1 4994 5131 4960 1 1 5694 4813 5642 1 1 4404 1 1 9429 4213 1 1 3142 1 4049 6077 1 1 5988 5135 2610 2958 3456 2878 1 3584 1 2245 2605 1 5998 8481 4368 1 1 1 6093 4217 1 2428 3585 4272 1 4543 1 1 4697 1 3683 1 4288 1 1 1 1 3450 1 1 5970 1 1 9696 1 1878 2955 1 4962 8104 2978 1 1 1 1 3536 10908 4470 1 3291 93.0319 *93.0319* 93.0319@0.9891507 1 1 1 4468 1 1 1 1 1 1 1 1 1 1 6084 1 1 1 1 1 5245 1 1 1 7692 1 1 3829 1 1 1 1 1 3005 1 3080 1 1 1 3831 1 1 1 14677 1 1 1 1 3342 1 1 1 1 3385 1 1 1 1 1 1 2551 1 2796 1 7708 1 1 1 1 1 1 1 1 3212 1 3920 1 1 1 1 1 1 1 1 1 7156 4498 1 1 4060 93.0319 *93.0319* 93.0319@0.6920943 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 3794 1 1 1 1 1 1 1 1 1 4086 1 9289 1 1 1 16960 1 1 1 1 1 1 1 1 1 4619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3351 1 3895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0319 *93.0319* 93.0319@3.0003028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0319 *93.032* 93.032@1.0776019 1 6387 5408 7693 8599 1 1 7620 4520 3269 1 4360 6236 4532 6848 6317 6531 5442 5776 12738 7981 9822 1 5664 5813 5973 5726 8183 11600 7225 6167 9399 4042 6818 8040 1 8354 6067 8369 1 1 6503 1 1 9885 7250 1 12132 9093 7829 7566 6890 6484 1 11706 1 1 8329 1 8716 8412 1 9388 1 3154 1 1 9056 1 1 8274 9036 2727 7825 1 12773 10172 14974 7378 1 12519 17087 1 7988 1 2969 9418 1 7531 7659 93.032 *93.032* 93.032@2.0490742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.032 *93.0321* 93.0321@5.6335807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7074 1 1 1 1 1 1 93.0321 *93.0324* 93.0324@1.6460516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9166 10647 1 1 1 1 1 1 1 1 1 1 93.0324 *93.0326* 93.0326@2.6549907 6817 7709 1 1 1 7541 1 4732 1 1 6301 1 5333 4923 5878 7956 5350 1 7023 5249 7023 1 7559 7340 1 1 1 1 1 1 1 1 1 1 6491 5395 8804 7268 8811 9251 5905 8155 1 1 1 1 1 1 7045 1 1 1 6458 6032 8829 9641 1 1 8788 7357 1 5993 7117 7621 1 7132 1 1 1 1 1 1 1 1 1 1 1 1 10011 10342 1 1 1 1 6941 1 1 1 1 6002 93.0326 *93.9345* 93.9345@0.7008239 1 1 3298 1 13904 1 5050 1 1 1 14203 5413 17324 13315 6492 15441 14065 8548 13737 5853 15308 1 5721 10578 9780 3623 1 1 3431 1 11462 12207 1 1 1 13825 3135 3488 1 17099 6117 5424 15276 13491 1 1 11690 12773 12099 4248 1 9539 1 1 15485 12029 5232 7801 3037 11572 18400 18534 20542 3823 20391 10639 1 10003 17725 17735 19180 4301 20406 18982 1 16455 9393 21695 24111 20769 18076 4548 4327 17555 9166 1 8811 14906 16337 19388 93.9345 *93.9345* 93.9345@1.2298474 9036 1 1 1 12783 12808 11215 1 11107 10227 10865 13105 13235 1 9624 1 1 1 5459 11035 1 1 10089 8563 4816 7139 9960 7088 6535 3148 9907 1 1 6719 7725 3726 6547 9240 9884 11232 9213 8605 1 7478 1 1 7887 10587 7269 9414 9805 10652 1 1 1 9945 11286 1 4034 1 14186 14809 9503 15138 12227 1 1 1 1 10502 5570 1 5153 5002 8196 7489 6272 1 1 5351 1 7502 2787 1 1 11294 4140 11049 1 6344 93.9345 *93.9345* 93.9345@1.6735549 4538 1 1 6411 7080 1 1 1 1 5172 1 1 1 1 1 1 1 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 4745 1 1 5521 1 1 6679 1 1 1 1 8397 1 8985 1 1 1 1 1 1 1 6433 1 1 1 1 8495 1 3247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.9345 *93.9345* 93.9345@3.7101452 1 1 1 1 1 1 1 1 1 1 1 1 1 2583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.9345 *93.9346* 93.9346@0.8357433 1 1 1 1 2336 1 1 1 1 1 1 1 1 1 4990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5120 1 1 1 1 4646 1 4932 1 4576 1 5548 1 1 1 1 3261 1 3425 1 1 1 1 1 7217 4562 1 1 1 1 4971 5594 1 1 1 1 1 1 5391 6041 3658 1 7992 7960 1 6240 1 1 1 1 4909 1 1 5236 5854 1 1 4969 1 1 93.9346 *93.9347* 93.9347@1.2682828 1 6434 1 1 1 1 1 11255 1 1 1 1 1 1 1 10999 1 10314 1 1 11682 1 1 1 1 1 1 1 1 4662 1 1 1 1 1 6144 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 1 1 5906 1 6187 7430 1 6515 1 1 1 1 1 3160 1 1 1 7095 1 1 1 1 1 1 93.9347 *93.9347* 93.9347@3.2227018 1 1 1 1 1 1 1 1 1 1 1 1 1 3277 1 1 1 1 1 2650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1331 1 1 3132 1 1 17625 1 1 1 1 8595 1 1 1 3160 1 1 93.9347 *93.9348* 93.9348@2.087256 21038 23236 12287 11825 22372 31906 49428 16485 23222 16987 35334 26451 16413 15318 44655 37415 1 49329 15936 25102 33011 37487 35685 31635 25115 41331 28051 19894 21219 33173 24029 20561 25051 15199 51937 65284 43366 50764 36955 33225 1 36119 31365 37769 31567 17021 39419 15129 19118 39743 22223 12304 17172 40454 1 1 15923 1 35429 36471 33865 37531 27814 68711 1 19544 44961 1 26771 13011 38343 31096 41157 60157 40092 67012 15776 48752 1 51161 1 37891 46636 20915 49725 1 38212 28155 21650 1 93.9348 *93.9348* 93.9348@2.9043038 5592 20675 20496 1 1 7605 1 1 22107 20681 17048 1 10076 19823 23502 13719 26883 25194 19945 22322 28078 1 14179 25677 7767 1 1 23010 1 13393 18785 1 6680 25670 1 19629 1 17792 5095 23950 19750 24366 1 16766 21653 25563 1 1 26933 1 27785 36183 32590 32574 29142 33663 31995 25589 31999 30575 30820 37703 17422 32275 34938 33857 35948 32663 26863 26199 38785 38957 18608 33653 26835 30927 35225 33442 16476 37369 41436 29632 36171 21822 22735 34027 33118 33243 13765 27513 93.9348 *93.9348* 93.9348@3.7895188 1 1 1 1 1 1 1 1 1 1 1 1 1 1850 1969 1 1 1 1 3240 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 1961 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 2313 1 1 93.9348 *93.9348* 93.9348@3.4917176 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 1 1 1 4262 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 1 1 1 1 1 1920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.9348 *93.9348* 93.9348@3.5664442 1 1 1 1 1 1 1 1 1 1 1 1 1 3060 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 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 93.9348 *93.9348* 93.9348@3.6566849 1 1 1 1 1 1 1 1 1 1 1 1 1 3815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 93.9348 *93.9349* 93.9349@2.1401875 24431 1 1 1 26262 16481 1 1 1 20634 1 1 1 25440 1 1 1 1 14091 1 1 16660 1 1 12887 1 1 1 1 1 1 1 33556 1 1 1 14496 1 12050 22438 1 1 18259 1 1 1 16575 1 1 1 16664 13973 1 1 1 1 1 1 1 1 1 1 1 1 1 26976 1 1 1 15114 1 1 30892 1 30589 1 1 1 1 1 1 1 1 17675 1 1 1 6336 23958 1 93.9349 *93.9349* 93.9349@2.8606236 24420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11131 1 1 1 1 1 1 1 1 1 16156 1 1 1 1 1 21078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.9349 *93.935* 93.935@2.6515868 8860 10490 1 1 11431 1 1 9884 1 1 12765 10167 1 7103 10021 8953 8925 10970 1 8206 8988 9621 12355 11499 1 1 1 1 1 1 1 1 1 1 8204 8909 1 10998 13855 13180 8452 10206 1 1 1 1 1 10002 1 1 1 1 11357 12881 13180 13887 1 1 12880 11195 11300 13648 8004 1 1 9688 12421 1 1 9659 11963 13930 9442 9300 1 6527 1 1 15500 16963 12078 1 1 1 1 17719 1 6645 1 9992 93.935 *93.935* 93.935@2.2872765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2977 1 1 1 1 1 1 1 1 1 1 1 21294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3074 1 1 93.935 *93.9351* 93.9351@2.547567 2930 1 1 1 1 1 1 1 1 1 1 1 1 4388 1 6686 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 10967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9218 1 1 1 1 1 1 1 1 1 1 1 5241 1 1 93.9351 *94.0156* 94.0156@2.955183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 94.0156 *94.0176* 94.0176@2.0653062 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 4395 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 94.0176 *94.0183* 94.0183@3.0918293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1765 1 1 1 1 1 1 1 1 1 1 1 1 94.0183 *94.019* 94.019@3.4173455 1 1 1 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 2362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.019 *94.0193* 94.0193@0.93142176 1 1 1 1 1 1 1 2445 1 1 1 1 1 1 1 1 1 3891 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 1 1 3618 3223 1 1 1 1 1 1 1 1 1 1 1 1 5149 1 1 1 1 1 1 1 3424 1 1 1 1 1 1 1 1 1918 1 1 3443 5920 1 1 1 1 94.0193 *94.0197* 94.0197@0.66396964 1 1 1 1 4317 1 1 3898 1 1 1 1 1977 1 4231 1 1 1 2289 1 1 1 1 4189 1 1 1 2365 2042 1 4098 1 1162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1698 3188 1 1987 1 1 1 1 2613 1 3643 1 1 1 1 1 1 1594 1 2156 1 1 1 1 1 1 1 2559 1 1 1 1 1 1 1 1 1 2321 1 1 1 3589 1 94.0197 *94.0198* 94.0198@3.2693162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 94.0198 *94.0199* 94.0199@3.3333094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 94.0199 *94.0204* 94.0204@0.97811735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 94.0204 *94.0219* 94.0219@0.75842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1324 1 1 1 1 1 94.0219 *94.0223* 94.0223@1.6420316 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 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 1315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0223 *94.0223* 94.0223@1.4899558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 94.0223 *94.0242* 94.0242@1.1018512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1991 1 1 1 1 94.0242 *94.0244* 94.0244@1.5893704 1 1 1 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 1 1 1 1 1 1 1 3264 1 1 1 1 1116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0244 *94.0313* 94.0313@1.9695764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0313 *94.0343* 94.0343@1.4306506 1 1 1 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 6128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1609 1 1 1 1 94.0343 *94.0366* 94.0366@1.1324874 1 1 1 1 1 1 1 1 1 1 1 1 1332 1 1 1 1 1 1 1 1675 1 1 1633 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 1 1 1 1409 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 94.0366 *94.0367* 94.0367@1.9745121 1 1 1 1 1 1 1 1357 1 1 1 1 2621 1 1047 1 1 1 1 1 1 1 1940 11561 1439 1 1 1 1 1 1 1 1 1 1 1 1 1 2071 1 1 1 1 5533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2535 2823 1 1 1 1 1 1 1606 1 1 1 1 1 1 1 1 1 1 1 1 1 1697 1 1 1 1 1 1 1 94.0367 *94.0382* 94.0382@1.1073141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5616 5999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0382 *94.0385* 94.0385@0.786492 1 1 1 1 1 1 1 1 1 2559 1 1 1 1 4204 4679 1 1 1 1 1 1 1 1 1 1 1 1 1 3431 1 1 1 1 1347 1 1 1 1 1886 1 1 1 1 1 1 1 1 2483 1 1 1 1 3054 4244 1 1 1 1 1 1 1 1 1 1 1 1 1 3049 1 1 1 1 1 1 1 1 1 3004 3238 1 1 2037 2006 1 1 1 1 1 1 94.0385 *94.0388* 94.0388@1.9721031 1 1 1 1 1 1 1 1 1 1 10316 4043 1 2105 1 1 1 1 1 1 1 1 1 1 1 1 4433 4750 10905 3033 1 1 1 1 3443 3632 1 1 1 1 1680 1 1567 1 1 1 4788 10097 1 1 1 1 10997 11879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1791 1854 1 1 1 1 2238 2469 1 1 6281 7399 1 1 1 1 4630 19472 5374 19206 94.0388 *94.0393* 94.0393@1.1997416 1 1 1 1 3582 2331 1 2967 1 11678 1 1 1 1 1 1 1 12932 1 1 1 1 1 1 1 1 1 4602 2293 1 5583 2148 1 1 1 1 1783 1530 1 1 1 1 7152 1 10284 2913 1 1 1 1 4356 3461 3772 2875 1 1 1287 1 1 1796 1 1 1 1 7216 6213 2686 1 2744 1 1 1 5230 1 1 5279 1 1 2595 4164 1 7567 1 1 1 1 1 1 1 1546 94.0393 *94.0404* 94.0404@0.9825653 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 5333 5145 6863 1 1 1 1 1 1 1 1 1 94.0404 *94.0405* 94.0405@1.4504429 1 1 1 1 1 1 1 1 1 1 30995 10917 9293 1 1 1 1 1 7859 1 1 1 1 1 1 1 1 11346 1 1 1 1 1 1 45640 50928 1 1 1587 14894 7309 1 1 6910 1 1 7453 3161 1 1 1 1 2214 2741 1 1 1 1 1 1 1 3684 1 1 1 1 1 1881 8028 7204 1 7369 1 1 1 1 1 1 1 1 1 1 3779 11908 1 1 52903 2802 1 1 94.0405 *94.0407* C6 H6 O 14161 14704 20398 20821 7200 6774 51486 51482 1 1 6131 6759 4457 3742 1 1 6831 7188 7788 6909 9795 9837 10434 10471 9723 11124 4967 6771 3034 1 28615 29426 23426 23132 8644 9852 16280 16953 1 1 4855 5348 9328 9774 9281 8980 5626 5731 1 2565 6234 6195 3329 1 1 4558 17200 16290 14761 14383 3231 3651 10836 9940 7546 8353 22097 23146 1 1 3800 2963 13188 13839 6193 6731 11896 13466 5081 5957 7364 9201 1 1 8547 8547 10855 12228 10516 11643 94.0407 *94.0411* C6 H6 O - 1.2030307 9741 9583 1 1 1 1 22597 12064 14905 15610 86424 91132 18391 9355 1 1 1 1 32263 1 1 1 1 1 1 1 27019 21387 1 1 1 3968 1 1 123618 121878 1 1 42503 40973 69893 1 9691 12760 1 7952 59046 7570 1 1 1 1 1 102183 1 1 1 1 1 1 87324 91699 1 1 1 1 1 1 34629 20295 32906 25596 1 1 8558 1 1 1 1 1 3719 9920 41534 38820 17930 17602 164586 227539 1 1 94.0411 *94.0411* 94.0411@1.4115225 1 1 1 1 1 1 1 7556 1 1 1 19864 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 13610 1 1 1 1 1466 1 2193 16017 24758 1 1 1 1 1 1 1 1 1 1 1 1 1 24738 1 1 1 1 1 1 4649 2719 1 1 1 1 1 1 1 1 1 1 1 1 10759 1 6194 3208 1 1 1 1 94.0411 *94.0412* 94.0412@1.2235619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0412 *94.0462* 94.0462@1.6739055 1 1 1 1 1 1 3937 3323 1 2851 1 1 2517 1 1 3011 1 1 1 1 1 1 1 1 1 1 1 1 3391 3488 1 1 1 1 1 1 1 1 1 1 1 1 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 5503 1 1 1 1 1 1 1 1 4107 1 1 1 1 1 1 1 3478 1 3849 1 1 94.0462 *94.0477* 94.0477@2.6848302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2189 2246 1 1 1 1 1 1 1 1 1 1 94.0477 *94.0482* 94.0482@1.6730827 1 1 1 1 2279 1 1 1 1 1 3958 3252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2553 4765 1 1 1 1 3736 3004 1 1 1 3429 1 1 1 1 1 1 1 1 1 1 1 1 3888 1 3576 2584 1 1 2726 3220 1 1 1 1 1 1 1 1 1 1 1 2765 1 1 4146 5057 1 1 2520 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0482 *94.0515* 94.0515@1.6725751 1 1 6400 6596 1 1 1 1 1 1 1 1 1 1 1 1 6100 6503 1 1 5830 5700 1 1 2756 1 1 1 1 1 5737 5530 1 1 1 1 1 1 6313 4766 1 1 1 1 4364 4348 5501 4929 8570 7564 1 4063 1 1 10001 10467 1 1 4208 3726 6081 5949 2602 1 6332 6441 1 1 1 1 2348 1 1 1 3398 4028 1 1 13406 13029 6560 7384 3565 5231 1 1 1 1 8138 7721 94.0515 *94.1223* 94.1223@1.2056345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1454 1 1 94.1223 *95.0116* 95.0116@0.6705332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3934 1 1 1 1 1 1 1 1 1 1 1 1 3378 1 1 1 1 1 1 1 1 1 2786 1 2800 1 1 1 1 1 1 3548 1993 1 1775 1 1 95.0116 *95.0119* 95.0119@0.723444 1 1 1 1 1 1 1 1 1335 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 1196 1 1 1837 1 1383 1 1 1264 1 1 2692 1 1 1 1 1 1824 1 1 1 1 1 1 1 1868 1 1 1 1 1647 1 1 1 1 3062 1 1 1 3663 1718 1 1119 1 1800 1 1 1 1 2146 1723 1719 3111 1 1 95.0119 *95.0286* 95.0286@0.83127785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.0286 *95.0316* 95.0316@0.83346736 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 2467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2272 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 95.0316 *95.0356* 95.0356@4.281827 1 1 1 1 1 1 1 1 1 1 1797 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 1307 1 1 1 1 1 1 1 1 1 1 1 1 1572 2143 3896 3698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.0356 *95.0359* C5 H5 N O 1 1 1 1 3265 3711 2817 2217 1 2060 12808 13816 7699 8659 1 1 1 1 3379 3812 1 1 1 1 1 1 1 1 1 1 1 1 2307 1519 5237 5144 1 1 3017 3036 3446 3460 1 1 2828 3429 3018 3185 1 1 1 1 7198 6791 1 1 2817 3111 1 1 5792 5493 1 1 7715 8731 1 1 9950 10466 5320 5296 1 1 8147 8668 5954 5759 8637 8110 3608 3695 1 1 4807 5362 11725 11812 1 1 95.0359 *95.0428* 95.0428@1.2856479 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 3109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.0428 *95.9311* 95.9311@1.1487575 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 95.9311 *95.9313* 95.9313@1.2280501 4706 1 2886 6793 9145 9735 1 3581 8266 1 7762 7363 8819 1 9082 3836 7119 6405 3093 8011 3882 7201 1 6011 1 6549 4604 5341 1 1 4645 1 5743 6874 6331 6749 5862 1 1 6121 3395 5568 4213 1 5990 2883 1 6722 6208 4658 8306 6158 3807 4291 3398 5385 1 1 4892 5025 8936 9325 7222 5497 1861 1 5591 4852 3299 7617 5954 3806 1 2836 1 1 7201 1 2894 1 2595 1 1 7977 2403 1 6830 1 1 1 95.9313 *95.9315* 95.9315@0.6770088 2649 1 4882 8384 1 1 1 1983 1 3772 1 5328 1 1 1 8731 8962 1 6799 5572 1 3746 4954 4311 1 4730 1 8745 6165 1 7720 3456 8552 1 10497 8971 4814 8294 1 1 1 1 1 1 1 1 1 1 4729 1 1 1 4417 1 1 12861 13518 1 1 7245 1 11984 1 5425 1 1 11515 11476 4446 2613 1 14073 1 1 1 10665 12162 14867 9423 1 11725 12107 1 11537 1 6745 7744 9574 11672 1 95.9315 *95.9315* 95.9315@0.8293751 4665 1 1 1 1 1 1 3225 1 1 1 1841 1 1 1 1 1 1 3876 1 1 1 1 3116 1279 1 1 1 1 1 1 3609 1 1 3399 1 1 1 1 1 1 1 1863 1 1 1 1 1 2567 1 3197 1 4392 1 1 2481 1 1 1 1806 3119 3888 1 2498 1 1 1 1 1 2008 1 2601 5720 1 1 3877 1 1 1937 1 3352 4152 1 2977 1 2913 3656 3823 1 2329 95.9315 *95.9315* 95.9315@2.293752 1 1 1 1 1 1 1 1 1 1 1 1 10612 2322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2921 95.9315 *95.9317* 95.9317@2.0779665 13809 13886 16764 20971 15831 17946 30861 31787 15462 15935 23557 11831 10198 32086 16779 1 38366 1 8108 12641 33631 1 1 17312 30093 1 14563 13711 23101 24490 22494 8850 29984 14749 29500 35345 32614 29381 13086 16827 29915 1 10495 11151 9892 19687 24713 21792 20256 31570 26955 28846 35327 30670 1 28450 17540 7555 31490 1 1 34872 32680 35659 35023 39165 33226 29591 40454 6714 35961 1 44292 51573 41402 48077 17746 28112 33473 24819 1 8127 1 13209 13238 10768 26414 22637 7084 9327 95.9317 *95.9317* 95.9317@3.362765 2120 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 1686 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 2428 1 1 2805 1 1 1 1 1 1 1 1 1 1 1 2363 1 1 95.9317 *95.9317* 95.9317@3.6991467 2512 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 1558 1 1 1 1 1 1 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 1146 1 1 95.9317 *95.9318* 95.9318@3.330204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.9318 *95.9318* 95.9318@2.6678722 1 1 1 1 1 1 1 1 1 1 1 1 1 4838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.9318 *95.9319* 95.9319@2.1821432 13013 19456 20143 1 1 11250 11252 1 14987 17651 1 7613 10716 1691 1 1 1 1 1 22670 1 1 10963 20209 1 8730 12398 1 1 1 15284 1 8965 13905 1 1 1 1 9925 14603 1 1 1 15668 24816 1 1 1 1 1 11209 1 3114 1 1 5410 1 18355 1 1 1 1 9137 1 1 1 1 1 1 1 1 1 1 1 1 3532 21639 1 6058 9992 1 15815 1 1 1 13913 1 1 13804 6606 95.9319 *95.9319* 95.9319@2.8984704 2869 18506 18886 12966 1 12279 7135 8260 16238 14648 1 14701 1 1477 1369 6238 14943 19473 14639 18001 13613 1 15394 19778 10741 6151 13636 16132 1 1 14266 13724 15456 17773 1 16630 15032 15901 20146 15873 14568 10771 1 14575 1 13060 9339 1 17338 20280 12690 20525 1 24483 21075 19328 19650 20447 19754 22935 26991 1 20783 25064 1 19544 16060 22421 1 11032 22720 26748 20844 17513 21307 20225 21897 1 21190 25122 25384 25876 21846 29559 28549 26211 23448 18992 19900 16742 95.9319 *95.9319* 95.9319@2.9068077 11050 1 1 1 1 1 1 1 1 1 1 1 1 14680 14921 9817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11943 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 1 1 1 1 1 1 1 1 1 1 3444 1 1 95.9319 *95.9319* 95.9319@4.00817 1718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1454 1999 1 1 1 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 1493 1 1 95.9319 *95.9319* 95.9319@1.6902857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4640 1 1 1 1 1 1551 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 1 95.9319 *95.9321* 95.9321@2.6528337 6911 7227 1 1 1 5820 1 6985 1 1 6298 7693 1 1167 7692 1 6195 6252 1 4305 5894 4796 8586 8420 1 1 1 1 1 1 1 1 3838 1 7166 5500 7263 8037 8301 8406 6236 6988 1 1 1 1 6402 7087 7084 5031 1 1 8091 7044 9881 9186 1 5397 8220 7419 10018 9391 6632 6315 7342 6116 7138 8004 6182 5671 8441 1 6278 6419 1 1 1 7572 12911 1 8573 8612 8288 1 8499 11729 1 4429 1 4403 95.9321 *95.9322* 95.9322@2.5061407 5641 1 1 1 1 1 1 1 1 1 1 1 1 2798 1 1 1 1 1 8208 9421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8741 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 5859 1 1 6739 1 1 1 1 1 1 1 1 1 1 1 2363 1 1 95.9322 *95.9869* 95.9869@2.395077 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 1821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.9869 *95.9871* 95.9871@2.8375309 2754 2547 3778 3668 2708 2778 4035 3525 2291 2893 2769 3070 2130 2110 1717 1821 3219 3185 3691 3057 2238 2100 2071 2271 2908 2916 3279 3106 2977 3035 2541 2285 1879 1871 1631 1672 1920 2184 1576 1530 1999 2213 1960 1981 1901 1755 3064 1 2463 1972 1 2777 1 1 1798 1938 2299 2463 2212 2292 3858 3826 2503 2574 2912 3080 5146 5559 3788 4412 2349 2175 1587 1553 2041 1738 2279 2407 24187 21809 6379 6017 1747 1 3035 3245 2739 2978 1 1 95.9871 *95.9876* 95.9876@6.1362505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 95.9876 *95.9879* 95.9879@2.3912187 59066 57620 48585 46367 47139 50276 60499 59430 73156 71317 63507 63189 73969 72643 64663 62611 82439 83362 72641 75292 51550 55210 90175 90123 44607 45010 49063 45017 52704 52841 66809 64179 57484 59927 65785 70771 89159 89808 83853 85897 60911 61699 65730 66141 63065 61628 64892 66499 47302 49962 78399 79605 84120 82913 77934 75518 42090 41889 88009 85326 99868 102181 82848 85558 59429 61634 55742 55261 73833 71657 113270 106297 48210 50520 60487 61351 87925 86344 101300 100545 100142 100300 74924 74438 119978 118847 56044 57547 108741 110879 95.9879 *95.9886* 95.9886@1.9413704 1 1 1237 1 1 1 1 1 1 1 1 1 1 1 3002 2758 1 1 1 1 1 1 1 1556 1 1 1 1 1 1 1 1358 1362 1655 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 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 3033 1 1 95.9886 *95.9896* 95.9896@1.9564005 1 1 1287 1284 1339 1566 1 1 1 1 1173 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 2554 2067 1 1 1 1 1 1 1 1 1 1236 1 1 1 1661 1 1 1 1 1 1 1 1 95.9896 *96.0309* 96.0309@1.4097173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 96.0309 *96.9425* 96.9425@0.8379911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96.9425 *96.9591* 96.9591@0.94995356 2039 1949 1746 1992 1842 2037 1857 1951 2150 1 1 2075 1 1750 1 1794 1915 2290 1992 2122 1 1677 2153 1935 1842 2016 1905 2014 1889 2017 1666 1810 1784 1941 1960 2032 1841 2148 2132 2188 2023 1858 2125 2051 2195 1864 2278 2092 1870 1987 1845 1833 1 1960 2248 2419 2208 2454 2328 1118 1815 1984 1694 2398 2160 2273 2090 2466 2331 2265 1937 1935 2228 1965 1901 1939 1750 1723 1824 1627 2025 2247 2164 2121 2030 1 2700 3083 1865 1914 96.9591 *96.9837* 96.9837@2.8873792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 96.9837 *97.0149* 97.0149@0.89846116 1 1 1 1 1 1 1 1 1 1 1 1 1605 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 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 97.0149 *97.0237* 97.0237@1.9673469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1861 2257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.0237 *97.024* 97.024@1.9632784 1 1 1 1 1 1 1 3496 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 1 1 1 1 1 1 1 1 1 1 1 1 1 4119 1 1 1 1 3642 4098 1 1 1465 1 1 1 1 1 1 1 1 1 1 1 1 1 1874 3212 1 1566 1504 1 97.024 *97.0263* 97.0263@1.6328838 1 1 1 1195 1 1 1 1 1 1607 1 3509 1 1 1 1 1 1 1 1 1 3096 1 1 1 1 3348 1 1 1 1 1 1 1 1 1 1 3015 1 1 1 1 1 1 1 1 1130 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 2167 1 1 1 1 1 1 1 1 1 1 1 1937 1 1 3027 1 97.0263 *97.0268* C3 H3 N3 O 6373 6323 9780 9974 9338 9288 14807 15518 8526 8816 14593 15516 10316 9980 10374 11544 10880 10903 12957 12409 12654 12566 7479 7238 7321 6524 12672 12694 7662 12187 11081 11036 15196 14267 9931 10188 12466 11271 9074 9367 11903 11440 10763 10651 6286 6099 11260 11730 15821 16700 12564 12828 12501 11289 8390 9181 7148 6989 8472 8288 22759 23832 12744 12895 16344 16284 12123 11748 13272 12661 16521 17322 12892 13634 11723 10531 17193 16380 12246 12723 14666 14268 17063 17818 21161 21441 17676 18605 10191 11053 97.0268 *97.0268* C3 H3 N3 O - 1.5202128 13806 13427 39002 35864 28240 18684 59262 52985 17666 16037 50781 52032 20597 32293 36051 32482 37046 39822 39771 29001 40387 44077 23299 20000 15283 24500 38158 24850 16757 25453 34780 31685 48088 44108 29115 27479 38251 36041 28836 18847 35711 32943 32587 31509 15905 17850 35645 36874 50204 57508 45655 43063 21234 30255 23760 13966 12288 11407 21752 20577 93871 93323 40001 41490 46457 49170 38187 40132 38197 42468 65166 54909 42370 38051 28939 36543 51071 49654 43797 33291 29258 27986 43965 56432 73847 64126 46869 57539 26649 30355 97.0268 *97.9293* 97.9293@2.7725139 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1104 1345 1 1 1 1 1 1 1 1 1 1 1 1916 1 1377 1 1 1 1 1 1 1 1 1160 1 1 1 1994 2201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.9293 *97.9294* 97.9294@2.0941775 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 1464 1 2442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1869 1 1 1 97.9294 *97.9295* 97.9295@2.0913985 1 1 1 1 2346 5178 1482 1 1 1 3023 1 1 1956 2255 2878 1 1 1 1 1 6992 1 1 1 1 1 1809 1 1 1 1 1 1 1 1 1 2444 1 1 1 1 1 1 1986 1 1 3162 3242 1 1 1 2625 2399 1 1084 3006 1 4110 1 1 1514 1 1048 2171 1 1 1 1 2364 1174 1 5619 1824 1 2730 1663 1 1 1 1 1 1804 1 1 2394 1323 1 1 1 97.9295 *97.9298* 97.9298@2.9129295 2620 1 1830 1 1 1 1 1 2046 1 1104 1 1 1 2202 1 2474 1 1462 1 1 1 1 2158 1 1 1 1 1 1 1 1 2322 1965 1 1 1 1 1715 1 1 1 1 1 2241 1 1 1 1 1 1 1023 1 2461 1917 2316 1 3176 2207 1 2740 3316 2595 2057 1439 1 2123 1877 1 1 2276 2250 3772 3488 3979 1 3364 3745 3503 3586 3613 3044 4209 3542 1 3732 1 3064 1 2350 97.9298 *97.9301* 97.9301@3.023767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1613 1 1 1 1 1 1 97.9301 *97.9644* 97.9644@2.061314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 97.9644 *97.9659* 97.9659@2.0320659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 4309 5075 1 1 1 1 1 1 1 1 1 1 97.9659 *97.967* 97.967@0.81738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2044 1 1 1999 1 2899 1 1 1 3517 4078 1 1 1 1 1 1 1 1 2343 2892 2948 1 1 1 1 1 1 1 1 1 97.967 *97.9672* 97.9672@0.94985974 1 1 1 1 1 1 1 1 1 1 1 1 4103 4158 1 1 1 1 1765 1854 1 1 3745 3431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13884 13334 2254 2409 1 1 1 1 1935 1509 1 1 1 1 1 1 1 1 1 1 1 1 4383 3964 1 1 1 1 1 1999 1378 1 1 1716 1676 2306 1 1 1 1 5899 6731 1 1 1 1 1 1 1 1 1 1 97.9672 *97.9676* 97.9676@1.7139984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1288 1 1 1 1 1 1 1 1 1 1 97.9676 *97.9682* 97.9682@1.1683722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1158 1 1 1 1 1 1 1 1 1 1 97.9682 *97.9687* 97.9687@7.413665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2482 3216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.9687 *97.9851* 97.9851@2.3570175 1 1 1 2529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 97.9851 *98.0001* 98.0001@3.1559205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0001 *98.0085* 98.0085@1.9131707 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 1728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2839 1 1 1 1 1 1 1 1 98.0085 *98.01* 98.01@1.6256949 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.01 *98.0109* C3 H2 N2 O2 1114 1 5949 5417 1972 1 4535 5851 3971 1 3057 3240 1 1 1 1450 4249 4261 1 2224 2543 2841 1 1 1802 1589 4763 4847 1573 1 5664 4729 1 2381 1606 1733 2149 3367 2691 1 3506 2210 1471 1 2906 2616 6611 4824 2397 5003 1 1 2320 3230 1389 1 4993 5471 1 1 4083 3927 5399 4312 4921 4315 5197 4323 3220 2607 6005 5208 3078 2811 1744 2170 3521 1251 10609 11580 2520 4803 3706 3578 3442 3930 5641 5386 4621 4345 98.0109 *98.0114* 98.0114@1.4101849 9119 8207 14838 10626 14612 12305 15250 13057 11894 10411 17003 24154 11930 15030 16571 17993 12400 13399 16187 19344 19108 12721 9323 12419 11441 10546 18339 18110 12533 11122 18243 16079 13908 15505 14021 14776 16303 18340 14210 13639 17037 16737 15671 13974 10339 11232 17689 17041 23438 24732 17701 18334 16994 18235 9292 11338 7402 9175 11726 11437 23540 33660 18719 13613 15933 23474 12201 19167 21123 19809 24835 15916 19253 18622 16020 11899 21745 37173 12655 14553 22373 21028 15659 27641 30372 30535 25185 26677 16282 14960 98.0114 *98.0117* 98.0117@1.5227664 1 1 1 1 1 1 1355 3253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0117 *98.0131* 98.0131@1.5105125 1 1 1 1 1 1 7552 7454 1 3014 6109 1 4324 1 1 1 4122 3656 1 1 1 6608 1 1 1 1 1 1 1 1 1 1 8672 7295 1 1 1 1 1 1 1 1 1 4022 1 1 1 1 1 1 1 1 1 1 2719 1 4486 1 1 1 10810 1 1 5327 7404 1 4466 1 1 1 1 9510 1 1 1 3436 2664 7032 1910 1 1 1 10603 6997 1 1 1 1 1 1 98.0131 *98.0137* 98.0137@2.0521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2292 1 1 1 1 1 98.0137 *98.0257* 98.0257@1.9741749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0257 *98.0353* 98.0353@2.8596284 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 98.0353 *98.0586* 98.0586@4.2041054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5362 5610 1 1 1 1 1 1 1 1 1 1 1 1 98.0586 *98.0708* 98.0708@1.6215624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19178 2898 1 1 1 1 1 1 1 1 1 1 98.0708 *98.9507* 98.9507@0.8180836 1 1 4989 1 1 2532 1 1 1 1 1 1 1 1 2659 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.9507 *98.951* 98.951@1.9913498 1 1 2196 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 2202 1 1 1 1 1 1697 1 1 1 1 1 1 1 1 1 1 2608 1 1 1 1 1 1 1 1 1 98.951 *98.9514* 98.9514@1.9677453 8559 7277 4467 7335 8191 9974 8373 10869 10270 7523 7981 7277 4621 9701 8888 8089 4166 8504 7931 1 8214 8989 8962 7498 8107 8941 3757 7694 8017 7287 2245 4940 8204 6261 7574 3282 2146 7195 7263 8061 3561 8717 5305 1 1 4153 1151 5865 5755 2374 7924 6428 8051 8178 7224 6952 7951 6620 2441 4446 7334 8670 6569 4068 7688 1 8147 4784 1 2164 7305 5970 1 7740 6211 10001 7471 5011 1 5320 6314 8340 7879 8687 1 8865 7884 7534 8754 2317 98.9514 *98.9518* 98.9518@1.6380718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1027 1 1 1 1 1 1 1 1 1 1 1 9420 5952 1 1 1 1 1 1 1 1 1 1 98.9518 *98.952* 98.952@1.268068 1 1 1 1 4248 3479 1 1 1 1 1 1 1 4902 1 1 1 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 2772 1 1 1 1 1 1 1 3287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2579 1 1 1 1659 1 2249 1 1 1 3257 1 1 1828 1 98.952 *98.9522* 98.9522@1.190402 1 1 1 1 1983 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 98.9522 *98.9523* 98.9523@3.3705592 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.9523 *98.9527* 98.9527@3.0503714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 98.9527 *99.0254* 99.0254@1.4762526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1275 1 1 1 1 1756 1717 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 1543 1 1 1 2065 1 1 1 1 1 1 99.0254 *99.0285* 99.0285@1.4466964 1 1 1 1 3153 3788 1 1 1 1 1 2056 1 1 1 1 1 1 1 1500 1 1 1 1 1 1 2277 1840 1 1 1908 1 1 2504 1 1 1 1 1423 1 1 1 1 1 1 1 1819 2239 1572 1888 1 1 1881 1763 1 1 1604 1321 1 1058 2380 1 1872 1825 2821 2547 8096 6099 2280 1 1718 2735 1 1 2085 1875 1 1 4297 4617 2305 2109 1692 1 3572 3331 1 1 1 1120 99.0285 *99.0309* 99.0309@2.0649564 1 1 1 1 2970 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4391 4092 1 1 1 1 1 1 1 1 1 1 99.0309 *99.0414* 99.0414@2.9643989 1 1 1 1 1 1 2044 1930 1 1 2928 1 1 1 1 1 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 1560 1 1 1 1 1 1 1 1 1 1 2937 2220 1 1 1 1878 1 1 3495 3891 1 1 3947 3783 2426 2402 4243 4630 2103 1939 1729 2202 4231 4183 3617 3344 1 1 1 1 1 1 5067 4523 1391 2707 1 1 99.0414 *99.0417* 99.0417@4.093259 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 1507 1465 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 1859 2005 1873 1718 1 1 4837 4538 1 1 1 1 1 1 1 1 1 1 1357 1 1 1 1 1 1532 1843 1539 1205 1 1216 99.0417 *99.9458* 99.9458@7.2759657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2557 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 1171 1 1 1 1 1 2682 1 1 1 1 1 1 1 1 1 1 1 1 1 1815 1 1 1 1 99.9458 *99.946* 99.946@6.911986 1 1 1 1 1511 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 1552 1680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1139 1 1 1 1 1 2282 1 1 1 1 1 1 2392 1 1 1 1 2061 1 1 1 1 1 7904 1 1 1 1 1 1 4814 1 6596 2220 1 2695 1 1 1561 1 1 1 99.946 *99.9461* 99.9461@7.9138927 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 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 99.9461 *99.9463* 99.9463@6.2016683 1 1 1 1 1 1 1 1 1 1 1 3323 1 1 1 1 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 1508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.9463 *99.9466* 99.9466@6.0763125 1 1 1 1 1 1 1739 2018 1 1 1 1846 1 1 1 1 1 1 1905 1 3496 1 1 1 1 1 1 1 1 1 1 1 2531 1 1 1 1 1 1 1 1614 3182 1 1 1 1 1 2368 1 1 1319 1 1 1183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1873 1 1 1 1 1 1 1 1 1 1677 1 1217 2213 1 1 1 1 1405 1 99.9466 *99.9471* 99.9471@5.730848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.9471 *99.9525* 99.9525@1.6445085 1 1 1 1 1 1 1 1180 1 1 1 1 1 1363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2791 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 2856 1 1 1 1 1 7854 3819 1 1 1 1 1 1 1 1 1 1 99.9525 *99.9526* 99.9526@1.9676304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 99.9526 *99.9527* 99.9527@0.7384498 1 1 1 1 1868 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1785 1 1 1 1 1 1 1 1 1 1 1 1 99.9527 *99.9528* 99.9528@1.9675237 3597 5255 1 4237 4333 1 4319 4456 3637 4633 1 1 1 3509 3395 3481 4033 3537 3759 3024 1 3303 2366 2974 4370 1 2566 3124 3608 3041 2165 1 2772 1 1 1 3737 3409 3461 2808 3179 3299 3666 2473 1 3502 1590 3578 2931 3006 1 2009 3680 1 3072 3325 1 1 1 3523 4177 3870 1 3337 1 4612 2366 1243 1 4465 3401 4032 8376 3750 3302 1 1159 1 3056 2904 1 1 3704 3842 2742 3865 1 3327 3081 3363 99.9528 *99.9531* 99.9531@1.6193881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2756 1 1 1 1 1 1 1 1 1 1 99.9531 *99.9533* 99.9533@0.7060512 1 1 1 2323 1 1 1 2756 1 1 2354 1 1 1 1 1 2118 1 1 1 1 1 9938 11115 1 1 2272 2295 1 1 1 2732 1 3458 1 1 1 1 1 1 1 1 1 1 1 1 2717 3095 1 1 1 1 1 1 1 1 1 1 2182 1712 1 1 9441 9148 5092 5273 1 1 1 1 1 2337 1 1 1 1 1 1 123752 168175 3572 1 1 1 2484 1 1 2236 1 1 99.9533 *99.9535* 99.9535@1.2631129 1 1 1 1 1 1 1 1 1 1 1 1 3101 2217 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.9535 *99.9535* 99.9535@3.289134 1 1 1 1 1 2609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1278 3735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.9535 *99.9541* 99.9541@3.6335003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 99.9541 *99.9543* 99.9543@3.2822907 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.9543 *99.9544* 99.9544@3.1732266 1 1 1 1 1 3273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1306 1 1 1 1 1 1 1 99.9544 *100.0148* C4 H4 O3 136648 106784 143582 221267 19993 1 1 1 180875 160790 157105 1 1 142921 84427 115555 1 1 162963 153219 1 1 1 1 1 106205 1 1 1 1 180927 139987 196950 196062 1 1 1 103949 13834 202560 1 1803 180673 132549 120940 181745 1 1 9998 1 3920 4219 49745 36943 7791 1 161622 148334 3282 2719 1607 5840 3865 4383 27488 9834 4480 4269 187267 1 11214 15691 21005 1 25558 6691 105700 104290 149608 147426 1 20879 15853 24051 132785 158724 14678 1 6392 1 100.0148 *100.0148* 100.0148@2.1586277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184664 1 1 1 1 1 1 1 1 1 1 1 1 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 6290 1 1 100.0148 *100.0154* 100.0154@3.034838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0154 *100.0154* 100.0154@1.5836912 1 1 1 1 1 1 5750 1 1 1 1 1 1 1 1 1 1 1 1 38706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0154 *100.0154* 100.0154@3.7935786 1 1 1 1 1 1 1 1066 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 2292 1 1 1 4827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0154 *100.0155* Succinic anhydride - 3.020823 3352 1 75573 32359 9414 69744 15953 1 53979 62277 29390 13778 47012 66851 6813 30180 2145 3917 33740 21881 25903 28929 34550 51473 1 39640 52577 61100 26737 28640 48850 35250 23825 1 41296 42672 1 38662 54942 71159 3315 3198 48441 42557 48677 45547 1 32001 3055 10006 1 1 16691 4787 3970 1 47577 28126 1 6143 6108 3561 4751 4694 1 17010 1 1 53999 49045 12362 10468 5550 16547 1 10340 10449 1 5904 4921 8540 6138 3749 2875 22922 20887 8304 9825 5836 1293 100.0155 *100.0155* 100.0155@1.4821253 1 1 1 1 1 1 5804 6309 1 1 1 23347 1 34923 12293 14343 1109 1 1 33926 1 5361 36147 1 1 1 1 1 1 12474 1 1 1 1 1 1 9957 1 35510 1 1 1 1 1 1 1 1 13991 6488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12419 1 1 1 1 1 1 1 9286 1 1 1767 1 1 1 1 2928 1 1 1 1 47274 1 14006 1 1 100.0155 *100.0156* Succinic anhydride 1 1 1 1 123197 125627 59905 56833 1 1 1 166914 136401 35977 39978 1 1 8154 1 42444 77832 78306 150530 122012 99577 1 192018 154073 88019 81588 1 1 66150 1 94608 127302 114314 1 41152 1 6063 5741 1 19092 40088 1 68468 61701 22213 35862 3977 3831 1 1 6357 15239 1 1 2743 4715 5561 4366 4847 4583 22444 41924 8810 8775 1 164394 7845 10000 16105 35715 1 10553 1 1 7249 6454 25620 8713 6779 1 1 1 102699 117258 1 21944 100.0156 *100.0156* 100.0156@1.3875401 4283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6529 1 1 1 1 1 1 1 1 1 1 1 9974 1 16703 1 1 1 6562 1 1 1 1 1 1 1 1 1 1621 1 1 1 11323 12017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10664 3987 2696 1 1 6435 1 1 1 1 1 1 3631 1 1 22094 1 12489 3434 1 100.0156 *100.0156* 100.0156@2.345986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2819 1 1 100.0156 *100.0156* 100.0156@2.9484847 32764 1 1 37248 1 1 1 1 1 1 37581 55302 1 1 32603 1 1 1 29410 43686 1 1 20588 1 1 1 1 1 1 1 1 22024 31030 1 1 1 1 1 19002 1 1973 1 1 1 1 1 1 1 9173 1 1 1 1643 1775 1 1 1 20888 1 1 1 1 1 1 1 5992 1 1 1 1 2913 3526 1 1 1 1 18671 1 1 1 1 1 4190 1 1 1 1 1 2955 1 100.0156 *100.0157* Succinic anhydride - 1.6393243 32315 37635 50055 78619 55564 46483 18257 21142 1 56194 1 55685 55367 48460 40071 1 2510 3347 58578 10392 24529 26797 37741 41233 49010 54953 1 69328 28775 23141 48038 51642 72283 1 29241 1 40444 1 63718 70663 1 1 1 58664 1 39097 31373 26565 18036 1 1 1 25302 19573 1 6590 1 52479 1 1 1 1108 1 1 28256 28466 1 1 1 59957 1 7742 23179 24431 8956 9497 51360 55768 1 1 1 12339 8569 14476 56820 66442 1 47949 9215 8452 100.0157 *100.0157* 100.0157@2.877325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6828 1 1 1 1 1 1 1 1 1 2148 1 1 1 5376 3882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0157 *100.0158* 100.0158@1.8646749 1 1 16469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18138 1 1 1 1 2094 1723 1 1 1 1 1 1 1 1 1339 1341 1 1 1 1545 1 1 1 1 1637 1154 1591 1392 1 1 1662 1889 1 1 1 1768 1 1 1 1806 1 1 81550 79911 1988 1 1829 1 1 1 1 1 1680 1780 100.0158 *100.0158* Succinic anhydride - 1.1389956 5395 6109 5953 6047 8850 9127 5478 5820 1 7161 9384 9784 3969 3374 2975 4604 4285 4021 6874 4431 4168 3292 4102 4577 7173 7420 12634 9279 3853 3731 1 7363 6708 1 5650 6860 6187 5761 4946 7480 1 1 7394 6958 3913 5627 5041 4626 2318 3641 1 1 1 1 4068 1 8412 9532 1 1 1 1 1 1 1 1 1 1 1 8544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4348 2077 6571 1745 1 1 100.0158 *100.0192* 100.0192@1.9681062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3246 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 1 100.0192 *100.0193* 100.0193@3.1219666 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 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 3268 1 1 1 1 1 1 1 1 1 1 100.0193 *100.0215* 100.0215@1.3662348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2305 1 1 1 1 1 1 1 1 1 1 100.0215 *100.0396* 100.0396@0.7051438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2453 1 1 1 1 1 1 1 1 1 1 100.0396 *100.0487* 100.0487@1.5059315 1 1 29491 27241 28494 27761 1 1 34863 36001 39736 42553 37326 40814 22668 1 1 1 47643 48777 1 1 1 1 1 1 40488 40291 1 1 49075 48961 1 39790 1 1 1 1 54959 54468 21035 1 38473 39339 47145 48611 1 1 1 1 1 1 1 1 1 1 36562 36551 2101 1 1 1 1 1 1 1 1 1 56896 59115 1 1 1 1 1 1 1 1 1 5118 1 1 1 1 66337 68099 1 1 1 4192 100.0487 *100.0492* 100.0492@1.9722508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2603 2570 2300 1 1738 1 1 1619 3539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0492 *100.0517* 100.0517@1.5399221 1 1 1 1 1 1 1 41686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30938 1 1 1 1 1 1 1 1 1 1 1 34790 32215 1 1 26929 1 1 1 83360 76182 1 1 1 25458 1 1 1 1 1 22965 100.0517 *100.0518* Glutaral (Glutaraldehyde) 32473 32310 1 1 1 1 43638 3587 1 1 1 1 1 1 17448 39010 16838 41357 1 1 34084 33273 55715 57607 34516 34757 1 1 60686 61608 1 1 1 1 42463 42624 65183 67720 1 1 1126 45349 1 1 1 1 59472 59840 40887 41908 52543 51514 65883 64527 50627 49683 1 1 32927 67314 68810 70360 47063 50654 43154 41805 44955 46193 1 1 38129 38460 44158 46311 21933 47917 61073 62004 90664 89519 72879 74503 57588 35478 1 1 63159 68027 62382 40040 C12518 100.0518 *100.0992* 100.0992@2.0100324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3384 1 1 1 1 1 1069 3569 1 1 1 1 1 3129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2124 1325 1 1 1 1 1 1 1 1 1 1 100.0992 *100.1001* 100.1001@1.895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 100.1001 *100.9316* 100.9316@2.0423799 1 1 1 3845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3617 1 1 1 1 1 1 1 1 1 1 1 1 100.9316 *100.9322* 100.9322@4.1235795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3847 1 1 1 1 1 1 1 1 100.9322 *100.9322* 100.9322@0.94125783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 100.9322 *100.9324* 100.9324@5.9839954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6470 1 1 100.9324 *100.9324* 100.9324@3.9742649 8136 1 1 1 1 1 1 1 5327 1 1 3602 9999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5415 1 1 1 1 3909 1 1 1 1 1 1 1 5652 1 1 1 1 1 1 1 1 6993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7240 1 1 4827 1 5188 7805 1 1 1 1 1 1 1 1 100.9324 *100.9324* 100.9324@2.9428067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6467 100.9324 *100.9324* 100.9324@1.2683874 1 1 7315 1 3583 1 1 7054 1 1 8974 1 10067 5944 1 1 4331 1 1 1 1 1 1 1 1 1 1 1 1 4546 1 1 1 1 1 1 1 1 1 1 4866 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 100.9324 *100.9325* 100.9325@1.9834445 6415 11411 8232 7788 7195 10408 6482 8816 10059 6651 1 6862 1 10780 3427 6491 9563 9034 10182 10752 6084 8172 8345 1 9289 1 1 7123 3201 7701 1 1 7347 9012 8461 11454 1 8694 10545 11588 1 6727 9579 4808 6586 1 1 7957 6604 5980 11086 5614 6159 6236 8121 6688 1 14176 7771 5795 10499 7954 6595 9021 5147 1 9265 8034 11368 10168 9690 10421 10091 9805 1 8724 4981 5448 1 8297 6154 1 6242 8118 8435 8766 11304 1 8143 5933 100.9325 *100.9325* 100.9325@2.9134161 5701 1 1 5385 1 4758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3070 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 1 1 1 4425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3240 1 1 1 2972 1 1 1 3431 1 1 3636 100.9325 *100.9326* 100.9326@0.84085625 1 1 1 1 4610 1 1 1 1 1 1 1 1 1 1 1 3460 10642 1 1 1 3381 13048 1 1 1 1 1 1 1 1 1 1 1 1 1 13167 1 1 1 1 1 1 1 1 1 1 1 12217 1 1 1 1987 1 1 1 1 1 10597 11630 1 3353 1 1 1 1 1 1 1 1 5409 1 1 1 1 1 1 1 6090 6867 1 1 1 1 1 1 1 1 1 1 100.9326 *100.9326* 100.9326@1.0616543 1 1 1 4281 4340 1 3301 3293 1 1 8670 1 1 1 1 1 5351 2834 9970 5172 7515 10396 1 8756 1 1 1 1 5207 1 1 5227 1 1 1 1 1 1 1 1 1 1 1 1 7379 1 4599 5376 1 1 4477 1 4461 1 1 1 1 4020 3864 1 1 1 1 1 4130 1 3843 1 4723 1 3116 1 1 1 1 1 4217 4177 1 4046 4202 1 3643 1 1 1 1 4116 1 1 100.9326 *100.9327* 100.9327@1.5340805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8722 1 1 1 1 1 1 1 1 1 1 100.9327 *100.9329* 100.9329@0.68672025 1 5346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4472 1 1 1 1 1 1 1 1 1 1 1 1 1 4383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4532 1 1 1 1 1 1 1 1 1 1 1 1 100.9329 *101.0104* 101.0104@3.5690699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 101.0104 *101.0109* 101.0109@3.124668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4252 1 1 1 1 1 1 1 1 1 1 1 1 1 2810 1 1 1 7402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1535 1 1432 1 1 1 1 1 1 1 1 3993 5208 2575 1 1 2885 1 1 1 1 1 1 1 1 4477 1 1 2720 1 1616 101.0109 *101.0109* 101.0109@3.9439547 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 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 1350 1 1 1 1 1 1 1496 1 1 1 1 1463 1 1 1 1469 1 1 1 1772 1 1 1 1 101.0109 *101.011* 101.011@4.020102 1 1 1 1 1 1 1 1 1 1 1 1 1 1599 1 1 1 1 1 1 1 1 1 1545 1 1 1 2353 3347 1 1 1 2254 1828 1 1377 1 1 1189 1 1 1 1778 1 1 1 1317 1 1 1 2109 3592 1 1 1 1 1 1 1 1 2636 1 1 1 1 2851 1 1 2039 1384 1548 1 1175 1 1 1 1 3503 1 1 2717 3359 1 2214 4586 3177 1 2405 1 1 101.011 *101.0111* 101.0111@3.5080476 1859 1 1878 1 1 1 1 1 1 1 1 1 1 2899 1 1 1 1 1 1599 1 1 1 1 1 1 1 1 6285 1 1 1 1 1 1 1 1 1 3583 1 1 1 1 1 1 1 1 1 1718 2035 1 1 1 2753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1104 1702 1 4484 1 1 1 1 1 1 1 1 1 4149 1 1295 2263 5388 101.0111 *101.0114* 101.0114@3.2980676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4264 1 1 1 1 1 1 1 1 1 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 1208 1 3591 101.0114 *101.0114* 101.0114@4.1260304 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0114 *101.0118* 101.0118@3.2585213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1100 1 1 2080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2109 1 1 2482 1 1 1 1 1 1 1 1 1 1 1 3083 1 3124 101.0118 *101.0122* 101.0122@1.6329451 1 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 2595 1 1 1 1 3519 1 1 1 1 1 1 1 1 2006 2847 2889 1 1 3541 1 1 1 3284 1497 1 1 1 3539 1445 1 3263 4140 1 1 1 1 1 1707 6905 2033 1 1 1 1 1906 2129 2755 1 1 1 1 1 1 1588 101.0122 *101.014* 101.014@1.4556456 1 1 1 2321 1 1 1 1 1 1 1 1 2137 1 1 1803 1 1 1 1 1 1 1 1 1033 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 2256 1 1 1 1 1 1 1 1584 1 1916 1 1 1 1 1 4166 1 1 3263 1 1 101.014 *101.0148* 101.0148@1.6667267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2071 1 1 1 1 2207 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 2168 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 1 101.0148 *101.0157* 101.0157@2.946469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3891 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0157 *101.0173* 101.0173@1.9710797 3133 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 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 2506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1820 1 1 1 1 1452 1 1 1 1 1 1 1 1 1 1 1 1 101.0173 *101.0177* 101.0177@2.0124397 1 1 1 1 8541 4115 1 1 2205 4702 1 1 1 1 3386 1 1 1 1 1 1 1 1 1 3568 3234 1 1 1 2445 1 7093 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1468 2151 1 1 1 1 1 1 1 1 1 1 1 1 101.0177 *101.0432* 101.0432@1.956272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0432 *101.0512* 101.0512@1.4777576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 101.0512 *101.0544* 101.0544@1.505154 1 1 1 1 1 1 1 1 1 1 1 1 1347 1057 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 1140 1 1 1 1 1 1 1 3900 1 1121 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 1809 1 1657 1 101.0544 *101.0834* C5 H11 N O 2887 2710 3133 2934 2884 3207 5834 5981 3273 3287 4435 4070 3198 3243 3640 3388 3937 3666 5342 5290 2341 2182 3544 3917 2186 2052 3078 3022 2654 2320 2573 3021 3595 3506 4114 3806 6063 5323 4930 4955 5507 5994 3102 2988 2766 2209 4240 4047 3025 2892 2753 2796 3656 3599 2291 2381 1607 1299 4340 4011 4827 5306 4168 5194 3417 3210 4241 4149 2760 2653 4356 4125 2868 3166 2647 2905 2909 3007 9230 9112 4396 5094 2832 2905 5193 4719 2368 2155 3888 3888 101.0834 *101.94* 101.94@2.0114024 36590 34947 1 27683 19987 1 36212 1 1 69104 7954 14854 24088 27467 13972 1 17339 16305 16412 30834 35869 1 42141 1 1 23781 10640 1 67908 54347 1 1 25057 37144 1 49336 1 45503 41359 22104 1 1 18548 14123 1 1 1 1 69303 1 16790 9725 24029 18912 8792 14706 12537 56063 8361 30065 13480 1 1 29001 11265 37560 53459 1 1 1 9374 30556 40024 1 41984 50002 86081 54389 46878 38902 35364 28415 53934 1 1 17294 69727 65678 1 33590 101.94 *101.9401* 101.9401@0.6957788 47869 30541 39995 38222 1 32609 59379 37648 49741 43366 55518 47341 1 51291 44090 48667 43202 49074 22950 57640 1 50630 37977 32591 17114 25522 19909 46301 24676 37036 47712 16386 46056 1 50460 20550 47147 51417 53885 33704 47098 41227 1 35955 41441 47585 29145 37400 46430 47452 33855 32287 20696 39291 1 48578 1 45106 54094 26568 54698 44964 40616 1 53328 51252 31962 51486 35797 42507 41917 29023 39664 31373 32246 31034 1 1 1 20579 1 1 1 28531 33728 41562 1 27859 32902 48699 101.9401 *101.9401* 101.9401@1.5980525 1 1 1 1 1 1 1 1 1 1 1 1 1 24767 31355 33356 1 1 1 1 18601 1 1 1 1 1 1 1 1 1 1 1 13783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21150 1 1 1 1 1 129603 120641 1 1 1 1 1 1 1 1 1 1 101.9401 *101.9401* 101.9401@0.9004141 20581 1 1 1 1 1 27368 27706 33680 1 26628 30822 18768 40048 33910 31586 29450 32825 32085 23783 35307 22501 24215 30060 27298 17385 36798 18516 21283 1 1 13058 35216 9317 30256 24328 32358 22088 32835 24761 1 18389 22140 21019 18168 29973 27664 27839 20260 34308 8170 29964 35052 20364 30138 41574 37740 30822 26856 1 24783 28806 23351 19118 29333 22397 33400 20562 20605 18951 27791 30086 38269 1 32131 12949 36034 1 17803 1 21392 15080 1 18344 35557 38127 20068 21345 21738 40752 101.9401 *101.9401* 101.9401@1.0245479 25449 1 25213 25195 23585 22701 29064 31061 33880 1 33493 20754 33441 1 19386 34992 21789 24845 22840 24055 35467 8813 18805 1 1 1 1 1 1 21271 1 18536 1 36802 45017 18429 51304 39446 1 13233 1 28656 1 14597 15075 18235 19043 10970 27580 1 27635 1 1 19442 1 1 11900 1 39280 11374 39593 7977 23747 18954 37060 40651 1 1 25336 10466 1 1 8596 1 1 27663 1 1 1 1 1 1 1 1 1 1 1 11759 1 1 101.9401 *101.9401* 101.9401@4.0850716 1 1 1 1 1 1 1 1 1 1 1 1 1 24724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15713 1 1 1 46610 1 1 1 1 1 1 1 1 1 1 1 1 38086 1 1 1 1 1 1 16749 1 1 1 1 1 1 1 1 1 1 1 1 37904 1 46831 1 1 101.9401 *101.9401* 101.9401@1.1194384 1 1 1 1 1 1 1 1 28125 1 1 31955 1 1 33945 24780 14804 24742 23844 9491 1 25349 28330 1 1 1 1 1 1 1 1 1 1 1 1 7471 6308 1 1 14369 1 14150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13755 1 1 14642 17043 1 9278 1 1 1 1 22987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.9401 *101.9401* 101.9401@1.2881637 1 1 39735 37783 1 35638 1 1 1 1 1 1 23396 46649 41182 8611 1 13368 1 1 20610 12237 1 32571 1 1 1 1 1 1 1 37931 24110 1 1 1 1 1 1 1 1 1 1 1 1 42513 1 1 1 1 1 1 41871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15946 1 1 22523 1 1 1 1 1 1 1 1 1 1 1 1 24337 1 101.9401 *101.9401* 101.9401@0.7112271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24058 27470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.9401 *101.9402* 101.9402@1.4401195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.9402 *101.9403* 101.9403@5.60375 1 88122 1 1 1 1 1 1 1 1 1 1 1 13825 1 1 1 53647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16457 1 1 1 1 1 1 1 1 1 1 1 1 1 62453 1 1 1 77915 17245 1 1 13390 1 1 1 1 1 1 1 1 1 1 1 14323 1 1 101.9403 *101.9403* 101.9403@2.0751274 19868 1 1 1 13732 1 15319 1 1 1 1 1 14234 1 8069 1 1 1 1 1 15483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14216 43292 1 1 1 1 1 1 1 1 1 18926 1 1 1 7856 1 1 1 1 1 1 8516 1 1 1 1 1 1 1 1 1 1 1 1 14037 1 1 1 9459 1 1 1 15363 1 7774 1 1 1 1 1 1 1 101.9403 *101.9403* 101.9403@5.9008393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.9403 *101.9403* 101.9403@1.8518193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25618 1 1 1 1 1 1 1 1 1 1 1 101.9403 *101.9403* 101.9403@2.8712153 1 1 1 1 1 1 1 1 1 1 1 1 1 25310 1 1 1 1 1 1 23899 1 1 40921 1 1 1 1 1 1 1 1 19656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.9403 *101.9403* 101.9403@5.255541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.9403 *101.9404* 101.9404@6.207824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25948 1 1 18440 1 1 1 1 1 1 1 1 1 1 1 14012 1 1 101.9404 *101.9404* 101.9404@6.8160644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30125 1 1 1 1 1 1 1 1 1 1 1 19612 1 1 101.9404 *101.9404* 101.9404@6.882741 1 1 1 1 1 1 1 1 1 1 1 1 1 32308 1 1 1 1 1 1 61257 1 1 1 1 1 1 1 1 1 1 1 36877 1 1 1 1 1 47454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82016 110447 1 1 1 15265 1 1 1 1 1 1 1 1 1 93695 1 67932 1 1 101.9404 *101.9507* 101.9507@0.70914173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57346 62756 1 1 1 1 1 1 1 1 1 1 101.9507 *102.0184* 102.0184@1.9749498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 102.0184 *102.0215* 102.0215@1.9676664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1448 2396 24829 1 1 2957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.0215 *102.0279* 102.0279@1.5489069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.0279 *102.0283* 102.0283@1.984893 4208 6755 1 1 1 9490 4336 3077 5792 4733 9464 8982 6247 2253 1799 6450 4535 1 1 1 2130 2788 2163 6430 5961 1 5126 1 4949 4044 4910 6737 8548 8932 6997 2133 4222 5319 3313 10713 1 1 1 7907 6645 7119 4120 1 1976 1 1 2723 2017 1 1 1 7546 1 1 2165 1932 5222 2915 2847 3066 3782 2098 1 1 1 2190 1 2821 2565 1986 3942 1 1 1 1 7603 8579 1743 4497 1 1 1 1 5446 1 102.0283 *102.0286* 102.0286@1.4519176 1 1 1 1 1 3116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4215 1 1 1 1 1 1 1067 1 1 1 1 1709 1 2365 1 3639 1 1 1 1 1 1 1 1 1 2589 2407 1 1 1841 1 1863 2806 1 1 1432 1 2549 2397 1643 1 1 2502 2246 2673 1 1 1 1 1613 1 2189 1 1 1 1321 2859 2000 1648 1 1 2161 2629 102.0286 *102.0287* 102.0287@1.6208498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1933 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1942 2285 1 1 1 1 102.0287 *102.0287* 102.0287@2.054621 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 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 2898 1 1 1 1 1 102.0287 *102.0292* 102.0292@2.388161 1 1 1 1 1 1 1 8699 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 4530 1 1 1 1 1082 1 1 1 1 1 1 1 1 1 1 6714 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 2118 1 1 1768 1 1 1 1 1 1 1 1 1 1 102.0292 *102.0293* 102.0293@1.9613851 1 1 1 1 9338 1 1 1 1460 2686 1 1 1820 1838 2796 2728 1 1 1 9026 2224 1 1034 1 1 1 1 1 1 1 2857 1208 1983 2138 1 3309 1 1 6052 1 1 1 6480 1 1 1 1 3757 1 1 1 1996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2053 5018 8295 1 1 1 1 1 1833 5580 6941 1 1 1 1 1 1 6207 8484 8622 1 1 1 102.0293 *102.0297* 102.0297@3.5203993 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9900 10435 1 1 1 1 1 3011 1 1 1 1 102.0297 *102.0302* 102.0302@3.098761 1 1 1 1 1 1 1 2020 1 1 1 1 1 1832 3007 1 1 2319 2244 1187 1 1 1 1 2677 1 5740 1 1 1 1 1 2710 1 1 1 1 2399 6064 1 1 1 1 1 1 1 1001 1 1 1 1 1 1831 1 1 1386 1 5082 1 1 1 2647 1 1 1 1 1 1 1 2433 1 2124 1 1 1 1 1 1 1 1 1 1 1 1 4192 1 1 1 1 1 102.0302 *102.0306* C4 H6 O3 1 1661 1864 2457 2133 2464 1293 1 2735 3163 1 2465 1 3027 1802 1 1 1 3177 3327 1612 2051 2594 2997 2613 2847 3332 2921 2205 2071 2138 3796 2413 2840 2366 3764 1 1554 3711 3582 2272 1 3212 3003 2542 2999 1915 1673 1 1308 2679 2542 3098 1796 1317 2206 4902 4140 2526 1707 2826 2737 2459 1398 2590 2841 2303 1 4236 2483 2732 2830 1 1 1400 1376 3061 2629 1855 1672 2377 1615 2373 2325 5390 4445 2231 2342 1471 2149 102.0306 *102.0306* 102.0306@2.9287748 1 1 8179 1 1 1 17506 17954 1585 1 7749 1 1175 1977 2115 1 3425 1 1 1 1 1 1 1 1 1 1247 1 1 2539 1613 1 1822 1 7172 1 12855 1 1362 6448 1 1 1 1 1 1 2104 1 6122 1 2093 3877 1 1 1 1 4987 3271 1 1 4052 1364 3120 3304 3555 4271 1 1 1 3152 1 1 4530 1 3219 2863 4688 4688 1 1 1 1680 2567 1 1686 4410 2495 1 1 2060 102.0306 *102.0309* Acetoacetic acid 1 1 1 1 1 1 1 1665 1 1 1 1 1 1 1 1 1 1 1 1 23566 24650 33643 36492 1 1 1 1 8781 10668 5826 6576 4363 3407 3205 2722 1 1 1 1 3109 3233 1 1 1 1 1 1 1 1 5621 5902 5161 3787 1 1308 2265 2252 1 1 1 1 1 1 1832 1940 7479 6905 7434 7316 1 1 1 1 1 1 1 1 4936 5489 12997 15555 4270 5387 1 1 8213 8678 14155 13593 HMDB00060 C00164 102.0309 *102.0309* 102.0309@1.1844825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1349 102.0309 *102.031* Acetoacetic acid - 2.7565882 6475 6202 2407 1 17483 18606 3380 2114 7035 5823 3749 5846 7991 12165 12509 1 2163 4069 7705 8649 7047 6750 9917 4567 18138 19123 5849 4556 22234 18677 6482 5473 3290 4062 2426 5776 4641 14797 3297 1 8529 4155 9546 7714 6365 18386 17382 17305 3012 3487 5873 4573 1784 7202 1 1 3217 1831 3056 2638 3027 3228 4059 3528 2123 2803 1 4518 1 1840 4289 3839 1943 5126 1 1 3936 3887 2353 3704 1538 3584 2611 2460 4593 3526 1 1 1 1783 HMDB00060 C00164 102.031 *102.0314* 102.0314@2.6948798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.0314 *102.0339* 102.0339@3.4673636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.0339 *102.0585* 102.0585@1.9652689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.0585 *102.061* 102.061@1.564576 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 6947 5088 1 1 1 1 1 1 1 1 1 1 102.061 *102.0624* 102.0624@1.9718633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 102.0624 *102.0663* 102.0663@1.7436402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15156 1 1 1 1 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 1953 1 1 15506 3416 1 1 1 1 1 1 1 102.0663 *102.067* 102.067@1.529964 1 1 1 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 5594 5953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1523 1 1 1 1 1 1 1 8675 9229 1 1 1 1 1 1 1 1 1 1 102.067 *102.0781* 102.0781@6.8337326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1749 1748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2911 2887 1 1 1 1 2540 2686 2244 1 2720 2405 1 1 2289 2516 2920 3300 1 1 102.0781 *102.9401* 102.9401@1.9595019 1 1 1 1 1 1 1 1 5907 1 1 4322 1 1 1 7995 1 1 1 1 1 1 1 1 1 1 1 6031 1 1 1 5683 1 1 1 1 1 1 1 1 1 1 1 6719 6520 1 1 1 1 1 7069 1 1 1 1 1 1 1 1 1 10405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3488 1 1 1 1 1 1 102.9401 *102.9401* 102.9401@5.849621 1 1 3793 1 1 1 1 1 1 1 1 1 1 3307 1 1 1 1 3883 1999 1 1 1 1 1 1 1 1 1 5196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8552 1 1 1 102.9401 *102.9402* 102.9402@5.645466 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.9402 *102.9403* 102.9403@3.9428747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2335 1 1 1 1 1 102.9403 *102.9403* 102.9403@5.403698 3857 1 1 1 1 1 1 1 1 1 2617 1 1 1 1 1 1 1 6160 4273 1 1 1 1 1 1 3210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.9403 *102.9403* 102.9403@2.8698745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.9403 *102.9405* 102.9405@6.0323915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.9405 *103.0261* 103.0261@1.9692324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3164 1 1 1 1 1 4826 1 1 1 1 4767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103.0261 *103.0367* 103.0367@1.4004354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 103.0367 *103.0374* 103.0374@1.2733042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15338 16757 1 1 1 1 1 1 1 1 1 1 103.0374 *103.0623* C4 H9 N O2 1273 1 1 1376 1 1426 2885 2980 1647 1755 2100 2098 1595 1791 1990 1558 1921 1955 2370 2381 1271 1 1823 2159 1 1 1 1525 1 1 1207 1362 1763 1649 1906 1657 3106 3059 2437 2685 2891 2857 1311 1 1 1061 2025 1882 1856 1303 1284 1199 1668 1980 1121 1460 1 1 2003 2196 2452 2465 2681 2926 1726 1901 1854 2374 1406 1169 2067 2484 1583 1223 1141 1430 1597 1804 5077 4877 1 2488 1318 1452 2351 2854 1069 1 1778 1519 103.0623 *103.0627* 103.0627@2.8862057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6904 7379 1 1 1 1 1 1 1 1 1 1 103.0627 *103.9429* 103.9429@6.882923 1 4491 1 1 1 1 1 1 1 1 1 1 3538 1 1 1 1366 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 4643 1 1 2596 1 2552 1383 1 1 1 1 1 1 1 103.9429 *103.944* 103.944@5.9818826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103.944 *103.9467* 103.9467@1.674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2310 1 1 1 1 1 1 1 1 1 1 103.9467 *103.9553* 103.9553@1.1081744 2555 3873 2548 1562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10878 10677 13832 13037 9767 10862 6562 8192 5720 5244 6049 1 6623 5907 5710 4850 3648 4977 4663 4701 8429 5614 4523 5315 5398 9773 6241 5380 5725 7853 9457 6855 6968 6045 6604 6796 6444 7277 7274 8114 7472 7450 8067 3660 7001 8549 9264 9090 8997 9283 9391 7113 8281 6741 8811 4482 8857 10714 10004 10069 10811 10062 10108 9512 10742 10080 103.9553 *103.9555* 103.9555@1.2107557 1 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 1 1 3130 1 2546 1 3333 4406 3316 1 1 1 3897 1 2841 2831 2929 1 1 1 1 3617 3292 1 2878 3007 3083 1 1 2267 3462 1 3953 2920 3593 4157 3399 3912 1 3865 3950 5142 5396 1 5019 3799 5256 3976 5785 8053 8037 8243 5285 6360 6564 6147 5625 5207 5809 6510 5498 7124 7209 7875 103.9555 *103.9557* 103.9557@1.1296208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103.9557 *103.9558* 103.9558@12.440871 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103.9558 *103.9559* 103.9559@13.262516 1 1 1 1 2142 1428 1 1 1 1 1 1 1 1 1 1 1 1 1 2994 1 1 1 1 1 1197 1 1 1 1875 1 1 1 1 1 1 1 1 1 1 1 2001 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 2267 1098 1 1 1 2026 1 1 2459 1256 1 1 1 1273 1 1 1 1 1245 2950 103.9559 *103.9563* 103.9563@12.398908 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 1 1 1 1 1 103.9563 *104.008* 104.008@1.1671404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 104.008 *104.0117* 104.0117@1.1667405 1 1 1 1 1352 1 1 1 1 1 1 1 1 1740 1 1 1737 1636 1981 2201 1 1075 1 1065 1 1 1 1 1 1 1 1 1 1 1 1 1 2106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.0117 *104.046* C4 H8 O3 2168 2168 4409 5143 4400 4583 4892 4887 3484 3051 5534 5159 3124 3395 5166 4216 3364 2751 3385 3409 3682 3828 3814 5317 4307 4638 7665 7338 3349 4043 4800 5545 4178 4686 4698 4294 3389 4795 4450 5075 3220 2622 3944 3349 3885 4111 4580 4284 4128 5100 3982 3791 3399 3752 4655 5011 3883 4089 4641 4360 5051 5443 4542 5507 5199 4536 8410 7998 4609 4139 3572 3754 5155 5441 4483 5574 4516 3936 4152 3981 3506 3587 4691 5210 5521 4318 6303 7201 3431 4519 104.046 *104.0462* 104.0462@1.591241 1 1 8497 1 1 1 1 1 1 1 1 1 1 1 1 1658 1 1 1 1 1 1 1 8933 1 1 1 1 1 1 1 12347 1 15650 1 1 1 1 1 1 1 1 1 9536 1 1 1 1 1 1994 1 1 1 1 1 1 1 1 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3628 5456 1 1 2551 1 1 1900 1 1 1 1 1 1 1 1 1 104.0462 *104.0466* 104.0466@3.338035 1 1 1 1 1 1 1 1 1 1 1 1 1 8310 1 1 1 1 1 6956 1917 1 1 1 1 1 1 1 1 1 1 19338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5166 1 1 1 1 1 11190 1 1 1 1 1 1 1 1 4387 1 1 104.0466 *104.0467* a-hydroxybutyrate - 1.537142 17847 18745 56923 57768 35265 35229 38717 36512 21394 21298 34584 33913 62901 63111 139009 140462 28986 28144 27773 26618 32839 32533 43628 36413 36233 35547 50161 52902 32130 33968 71071 63087 92911 78535 33872 33996 41471 41535 62520 51380 24833 24822 38502 36791 57681 58239 30269 30280 28389 28328 36944 37201 23064 23294 23089 23104 28665 30363 29210 29344 37105 37062 29760 28063 43320 44513 44540 44713 28103 26742 32410 31294 24043 22224 95877 100249 62590 59751 69303 71934 29741 30005 36625 37452 37792 39186 92314 91324 31154 29375 104.0467 *104.0468* a-hydroxybutyrate 57967 60722 78482 82176 90082 93913 87887 88544 85444 83481 84100 84600 72439 76475 85585 83094 74485 75540 78232 76019 70546 72996 159551 164541 85281 82700 73526 69167 77051 80758 67972 67412 73382 72552 77405 76819 86368 88645 79378 91192 70894 72304 83190 72891 78199 82792 78295 78531 85577 86877 106917 107355 99747 100940 111505 110333 79290 80013 122340 123356 103742 105725 78067 79499 84604 84849 94051 98214 72138 70595 92361 91871 104130 101326 82577 82669 95018 93116 121245 120362 84419 85109 125000 124571 103174 104184 84971 85927 98780 97273 104.0468 *104.0468* 104.0468@2.8127494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17751 18597 1 1 1 1 1 1 1 1 1 1 104.0468 *104.0468* alpha-hydroxyisobutyrate 112261 115626 192771 207634 195325 197508 190190 181358 143638 154921 227387 228601 144356 143352 248095 232284 141673 143641 160246 159074 160856 159973 217513 221806 193073 204478 203649 207266 133088 133027 201632 203577 122788 117004 177733 169587 121677 122430 207084 205673 123096 126548 190308 195915 92807 99362 150276 151755 164905 168202 183171 173355 138930 139508 189801 193782 202186 207428 135156 143328 173004 185234 153229 145861 201987 213356 149085 158968 85637 80312 107923 108454 192835 199685 244418 248168 170247 171673 20228 22535 129815 122190 134083 122628 169560 185893 177445 150144 171371 158351 HMDB00729 104.0468 *104.047* 104.047@4.0540695 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 1137 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 1 104.047 *104.1327* 104.1327@3.0632975 1 1 1 1 2001 1 1722 1976 1 1 1 2455 1 1 1 2582 1 1 1 1 1 1 1 2319 1 1 2021 2363 1 1 1 2638 1 1 1 1096 1 1 2070 1024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2296 1928 1 1 1 1 1 1 2031 2026 1 1 1 1 1 1 1 1 2827 2520 1 1 1 1 1 1 1 1 1815 1 1 1 1547 1770 104.1327 *104.1328* 104.1328@1.4136941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1794 1531 1 1 1 1 1 1 1968 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 1344 1 1 1 1367 1085 1 1 1455 1485 1 1021 1 1 1 1 1 1092 1 1 1 1 1191 1 1 1 1 1 1 1403 1 1 1479 1580 1087 1 1 1 1 1 104.1328 *104.983* 104.983@6.8259354 2635 1 1 1 1 1 1 2433 1 1 1 3882 1 1 1890 1 1 2378 1 1 1 1 2853 1 1402 1 1 1 1 1 1552 1351 1 1 1 1865 1249 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.983 *104.9832* 104.9832@0.89607555 7694 7661 7027 6774 10298 7274 6024 8347 6974 6880 6244 8515 5536 5872 9196 5876 4506 6066 6580 5843 6309 5763 6083 6558 6674 6583 5717 5569 5607 5250 5928 6359 5962 5372 9949 6044 9413 6650 9006 6732 8474 6027 8805 6439 5785 5778 6742 8290 6461 6768 6487 6435 6464 6162 6742 9260 7403 10218 6225 6480 6658 6692 6573 8354 6454 9203 4509 4716 5914 6016 6328 7218 7181 7779 8289 7348 5440 6108 3370 3523 6785 7048 6671 6745 6444 6070 6908 6484 6553 5016 104.9832 *104.9832* 104.9832@4.2560444 1 1 1 1 1 1 1 1 1 1 1 1 1 1694 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 1 104.9832 *104.9832* 104.9832@6.245847 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.9832 *104.9833* 104.9833@4.2438445 1 7365 1695 1 1 1 11194 1 3767 1 1 8605 1 1535 5587 3510 1 6882 1 1 1 1 2441 3438 1 1 2312 1 1 1955 1 1 1 1 1685 1 1 1 1 1 1 1 1 1 1 4093 3929 1 4677 1 1 1 1 1 1 1 1 1 1 1 1155 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 1 104.9833 *104.9834* 104.9834@6.096455 1 1 1 3594 1 2445 1 1947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1070 1 1406 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 1 104.9834 *104.9835* 104.9835@6.384175 2269 1949 1 1 1 6200 1 2642 1 1 1770 2260 1 1 1446 1 4135 2393 1 1732 1844 1753 1 1 1 1 1795 1 1 1 1277 2207 1 1 2399 1 1829 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 1 104.9835 *105.0249* 105.0249@1.1655362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4694 4956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.0249 *105.0284* 105.0284@1.8819456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 105.0284 *105.0285* 105.0285@1.929097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1413 2330 1 1 1 1524 1 1 1 1068 1633 3131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4487 1906 1 1764 1 1 1271 1 1 1 1 1 1 1 1 1 1 1 1458 2244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1053 2474 1 1 1754 2238 2403 1942 105.0285 *105.0301* 105.0301@1.9711778 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 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 1 105.0301 *105.0416* 105.0416@6.48188 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 1 1 1 1 1 1 1 1 1 1 1 4056 4349 1357 1794 1 1 1 1 1 1 2814 2996 1 1 1 1 1 1 1 1 5012 4926 1 1 1 1 4053 4064 3650 2906 3480 3910 2718 1904 3200 3569 4405 4738 1 2167 105.0416 *105.0494* 105.0494@3.19815 1 1 1 1 1 1 1 1734 1 1 1048 1 1 1 1 1 1 1 1 1 1 1 1 3141 1 1 1 1 1 1 1 1 1 1 1 1557 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 1374 1 1 1421 1 1 1 1 1 1527 1 1 1 1 1 1 1 105.0494 *106.0237* 106.0237@1.9694687 1 1 1 1224 1 1087 1359 1279 1 1 1 1 1726 2061 1 1 1187 1255 2179 1738 1538 1896 1953 2686 1 1148 2253 2248 2968 2811 1 1027 1 1 1 1 1 1 1 1 1 1419 1 1 1 1 1 1 1724 2508 2207 2272 1145 1 2267 2295 1 1 1559 1 1 1 1 1 1129 1 2649 2385 1 1 1 1 1 1106 1 1 1 1 1 1592 1 1 2063 2278 1 1 3065 2167 1413 1 106.0237 *106.0238* 106.0238@1.8721322 1 1 1 1 1 1 1 1 1 1258 1 1 1 3612 1 1 1 1 4719 1815 3327 1 4775 4739 1 1 5135 4147 1 6009 1 1 1 1 1 1338 1 1 1 1 3515 1 1 1 1423 1 1 1 5594 5175 1436 4805 1 1 4611 1 1 1 2861 1 1 1 1 1 1340 1 4457 2120 1 1 1 1 1 1474 1 1 1 2685 1662 1878 4419 4842 5161 2824 1 3387 1745 4710 4740 1 106.0238 *106.0241* 106.0241@1.909189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2522 1 1 1951 1 1 1 106.0241 *106.0403* 106.0403@1.1053815 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1742 1975 1 1 1 1 1 1 1 1 106.0403 *106.9668* 106.9668@1.4193351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1002 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 1669 1 1 106.9668 *106.9668* 106.9668@2.0370412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2586 1 1 2571 1 1 1 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 1613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.9668 *106.9669* 106.9669@0.67463917 2519 1 1 1 1 1 1 1 1 1 1 1 1 3882 4797 1 3522 1 1 1 1566 1 1 1 1 1 1 1 1 2931 5477 1 1 1 1 1 1 4860 1 1 1 1 1 1 6129 1 1 4818 2462 1576 1273 1 1 2460 2602 1 1 1 1 1 1 2551 1 1 1 2772 3026 1 1 1 3801 1 1 1749 1 1 1 1 1 1 1 1 1 5149 4902 1 1 1 1914 1 106.9669 *106.9669* 106.9669@2.0212877 1 1940 1 1 4359 1 1791 1 1 1 1 1 1 2659 1951 1 1 1 1 4460 1850 1 1 1 1 3273 1 1 1 2446 1 2401 1207 1 2994 1 1 2341 1 1 1 1 1 1 1 3228 1 1 1 1 1 1 1 1 1 1743 1 1 1 1 3171 5568 1 1 1 1 1 1 1 1 1 1 1 3942 3481 2686 1 1 1 1 1 1 3677 1 1 1 1 1 1 1171 106.9669 *106.9669* 106.9669@1.696743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 106.9669 *106.9669* 106.9669@0.8115165 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 3389 1 1 1 1 1 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 1993 1 1 1 1 1 1 106.9669 *106.967* 106.967@2.9838216 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1261 1 1 1 1 1 1 1 1 106.967 *106.9671* 106.9671@0.9787702 1 1 1 1 1 1 1 1 1 1 2548 1 1 1 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 1407 1 1131 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 2732 1 1 2361 1 1 1 1 1 1 106.9671 *106.9672* 106.9672@3.6118271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1456 1 1 1 1 1 1 1 1 106.9672 *106.9672* 106.9672@4.0058064 1 1 1 1 1 1 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 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 1344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.9672 *106.9672* 106.9672@1.0571967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.9672 *106.9674* 106.9674@2.9405215 1 1 1208 1 1 2407 1 1 1 1 1913 6370 2060 1 1 1 1 1 1 1373 1 1 1 1 1 1 2989 1 1 1 3870 1 1 1 5367 1 1 3090 1 1741 1 1 3600 1 1 1 1 2798 1 1704 2144 1 1 1283 2468 1 4357 1 1 1 1 1 1 1 1 1 1 1728 1 1 1 1858 1 1 1 2463 1 1 1851 1 1 3294 4468 4014 1 1 1 1 1 1 106.9674 *107.0093* 107.0093@1.3853297 1 1 1 1631 1 1 1 1 1 1 1 4557 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 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 1 1 1 1 1 1 1 1 107.0093 *107.0095* 107.0095@1.9327654 1 2105 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 2948 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 1 107.0095 *107.0098* 107.0098@2.8446057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 107.0098 *107.0099* 107.0099@1.0957143 1 1 1 1793 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 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 2083 1 107.0099 *107.0101* 107.0101@0.69118786 1 1 1012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3189 1 1 1 1 1 1 1 1 1 1 1 1 1 1840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2993 1 1 1 1 1 1 1 1 1 2830 1 1 1 1 1 1 1 1 1 1 107.0101 *107.9878* 107.9878@2.391219 14219 13766 11887 11456 12765 11037 13980 14422 16772 17099 15966 15128 17319 17227 14536 15866 19389 20195 18790 17538 12440 13149 21094 21750 10484 10622 11653 12342 12822 12038 15874 15906 14579 13335 15995 16704 23305 21451 21417 20955 14927 14353 15432 15405 15678 15077 16218 16691 12556 12175 19274 19339 21014 20348 18344 19138 9795 9688 19944 21581 25199 24386 21210 20534 14286 14888 13301 12514 17205 17256 26674 28249 12088 11589 14868 15399 22099 21525 25374 24870 23985 25009 18224 18468 29157 29831 14050 13976 26114 26989 107.9878 *107.9885* 107.9885@2.9273653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 107.9885 *108.031* 108.031@2.0671287 5910 1 1 14592 1 1 1 1 1 1 1 1 1 9107 1 1 1 1 1 32059 22259 1 1 1 1 1 1 1 1 1 1 1 6543 1 1 1 1 1 7525 20084 1 1 1 1 1 1 1 1 1 16883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10748 1 1 7261 1 1 1 1 1 1 1 1 1 1 1 17821 1 1 108.031 *108.031* 108.031@2.0305727 1 1 1 1 1 1 1 1 1 1 1 1 1 10093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.031 *108.0315* 108.0315@1.6307828 1 1 1 1 1 1 1 1 1 1 1 1 1 5728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7851 1 1 1 1 1 1 1 1 1 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 1 1 4456 1 1 1 1 1 1 1 1 1 1 1 3490 1 1 108.0315 *108.0315* 108.0315@1.0049034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5654 1 1 1 1 1 1 1 1 1 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 6899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0315 *108.0316* 108.0316@0.67551875 1 1 1 25227 1 36404 1 1 1 16870 1 1 1 24571 25231 1 1 1 1 1 24248 1 1 1 21112 1 1 1 35771 26552 1 1 19619 32412 24978 13180 1 28293 1 33331 32348 8017 23912 1 1 1 1 1 16876 1 1 1 17715 1 1 1 1 1 1 1 1 1 20106 18539 1 1 17328 1 1 26766 10626 11279 28531 1 1 11459 21913 20373 1 21304 23074 1 27221 1 1 1 1 1 26608 28186 108.0316 *108.0316* 108.0316@1.7556843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2952 1 1 108.0316 *108.0316* 108.0316@1.9697282 13207 1 1 1 1 1 1 1 1 1 1 1 1 17388 1 1 1 1 1 1 16336 1 1 1 1 1 1 1 1 1 1 1 10485 1 1 1 1 1 10311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20861 1 1 108.0316 *108.0317* 108.0317@0.9235386 10270 1 1 28510 1 1 1 1 1 1 1 1 1 35484 8255 1 1 1 1 18674 13765 1 1 1 1 1 1 1 1 1 1 1 4776 1 1 1 1 1 17033 1 1 1 1 1 1 1 1 1 22438 11065 1 1 1 12099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17648 1 1 8596 1 1 1 1 1 1 1 1 1 1 1 28884 1 1 108.0317 *108.0317* 108.0317@1.3525529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4610 1 1 1 1 1 1 1 1 1 1 1 7651 1 1 1 1 1 17866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8820 1 1 108.0317 *108.0318* 108.0318@1.1166264 21040 1 1 1 1 1 1 1 1 1 1 1 1 5579 3667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9491 1 1 1 1 1 7678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5809 1 1 3101 1 1 1 1 1 1 1 1 1 1 1 12026 1 1 108.0318 *108.0318* 108.0318@1.4109598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1732 1 1 108.0318 *108.0318* 108.0318@1.4991856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4874 1 1 108.0318 *108.0318* 108.0318@2.9498012 1 1 1 1 1 1 1 1 1 1 1 1 1 28863 24174 1 1 1 1 1 1 10841 1 21926 1 27280 1 1 1 1 1 1 1 1 1 1 1 1 1 6539 1 33873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12642 25349 1 1 1 1 1 1 1 1 1 1 1 1 1 7797 1 1 1 1 1 1 30722 1 1 1 1 7177 1 1 108.0318 *108.0318* 108.0318@0.84104633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26816 1 1 1 1 1 1 1 1 1 1 1 1 9724 1 1 1 1 4850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5236 1 1 12188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0318 *108.0319* 108.0319@2.911219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 108.0319 *108.0354* 108.0354@0.7403076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0354 *108.0408* 108.0408@1.187401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10477 12281 1 1 1 1 1 1 14437 10455 108.0408 *108.0473* 108.0473@0.7624521 1 1 1 1 1 1 6491 1 1 1 1 1 1 5410 1 1 1 1 1 1 5545 1 1 1 1 1 1 1 1 1 1 1 8083 10230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0473 *108.0509* 108.0509@0.7627573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11241 1 1 1 1 1 1 11804 9427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0509 *108.0528* 108.0528@0.7633283 1 1 1 1 1 1 1 1 1 1 13567 15394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16910 14685 1 1 10230 13432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34054 22477 1 1 108.0528 *109.0278* C4 H3 N3 O 9602 10016 9382 9387 8874 8888 12633 11451 9493 8423 9590 1 9662 8355 11291 10483 10249 10093 11048 18728 7406 8491 18433 18617 4864 6857 12064 1 7930 7334 9466 10072 7156 8703 10052 10089 15116 13018 1 23993 14809 14541 13891 7886 8819 15004 11518 11905 9165 8871 1 8052 1 14315 1 11074 7781 13106 1 15735 14137 12003 10915 10238 1 1 9072 7105 10647 10174 11290 12064 8542 9567 1 1 8476 9664 11340 11555 13808 13387 10301 9022 11973 1 6144 4942 10903 1 109.0278 *109.0278* C4 H3 N3 O - 1.9596179 6995 7095 8187 8081 5132 5316 8558 8884 6337 6930 8537 7578 6701 5269 6614 1 7563 8882 8273 1 6408 6423 1 1 1 6443 1 7638 7026 8468 6099 5270 5506 5314 6992 8490 7983 12377 21708 1 11613 9803 1 5489 6703 1 9291 8833 14112 13287 9246 14410 9881 1 9632 9094 5225 1 12780 12148 11828 13308 9357 10308 13313 10355 21991 12604 8022 8596 13824 14200 8407 8400 8002 8863 8975 9024 14060 12262 10765 11480 9691 7948 14131 12283 7017 7416 8693 9018 109.0278 *109.0295* C3 H8 Cl N O 4070 2933 3333 4066 4097 3928 5515 3306 3529 3892 3520 4345 3778 4549 4458 4404 3666 3801 3582 2888 5592 4148 3408 3563 3212 3787 5061 3249 3667 3362 3940 4820 3923 4244 4368 3469 3946 3673 3401 4403 4741 3875 3877 3794 5121 4554 3367 3974 3832 3308 4875 4586 4414 3735 1 5756 4183 4901 4106 4370 4319 4218 3529 3817 5161 4749 4759 3836 4289 3710 3018 2261 5088 3191 3477 3816 3344 3564 4173 4379 4392 4510 4195 3522 3805 4097 4490 3836 4236 4178 109.0295 *109.0302* 109.0302@1.3508773 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 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 1 109.0302 *109.0315* 109.0315@0.7374483 1 1 1 1 1 1 1431 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 1637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1434 1 1 1 1 1518 1 1 1 1545 1 1 1 1 2699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0315 *109.0316* 109.0316@2.040343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1728 1 1 1 1 1 1 1 1 1 1 1 1 1801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2107 1 1 1 1 1 1 109.0316 *109.0332* 109.0332@1.1636045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 109.0332 *109.0398* 109.0398@0.8218656 1 1 1 1 1 1 2227 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 109.0398 *109.0483* 109.0483@0.7839096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0483 *110.011* 110.011@1.5995662 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 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 1087 1 1 1353 1 1 1 1 1 1 1 1 1 1 1 1392 1 1 110.011 *110.011* 110.011@0.63415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.011 *110.0112* 110.0112@1.2533844 13499 1 1 1 1 1 1 1 1 1 1 1 1 2216 1 1 1 1 1 1 4148 1 1 1 1 1 1 1 1 3386 1 5623 1744 1 1 2011 1 1 1 1 1 1261 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 2264 1450 1 2075 1 1 1 1 1 1 1 1 1 1 2890 1 1 110.0112 *110.0112* 110.0112@2.0637321 14355 1 1 1 1 1 1 1 1 1 1 1 1 4606 14645 1 1 1 1 1 1 5230 1 1 1 1 1 1 1 1 1 1 1 1 1 1835 1 3834 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 5817 1 8017 5993 4951 1 1 2920 2847 1 1 1 1 1 1 1 1 1501 1 1 3250 1899 1 1 1345 110.0112 *110.0112* 110.0112@0.9540511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 2384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0112 *110.0114* 110.0114@1.0400513 3939 1 1 1 1 1 1 1 1 1 1 1 1 8898 3566 1 1 1 1 1 2216 1 1 1 1 1 1 1 1 1936 1 1 1 1 1578 1 2058 1 1 3358 1 1 1 1 1 1 1 1 1 1 1 1 1 6827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3511 1827 2899 1 1762 2240 1 1 1 1 1 1 1 1 1 1 2503 1 1654 110.0114 *110.0114* 110.0114@2.937426 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 110.0114 *110.0114* 110.0114@3.5726564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0114 *110.0116* 110.0116@2.9658105 15341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3768 1 1 2081 4809 1 1 1 1 1 1 1 4716 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 5199 22464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4191 1 1 1 1 1 1 1497 2984 1 1025 1 1 1 1 1124 1 1 1 1 110.0116 *110.012* 110.012@0.6765215 19319 1 1 1 1 1 1 1 1 1 1 1 1 15813 5552 1 1 1 1 1 1 1 1 7054 10476 1 1 1 1 1 7621 1 2325 4644 1 1 1367 1 1 1 1 1 1 5422 1 1 1 1 1 7536 1 27064 1 4931 7464 7624 1 8435 4332 3189 1 1 1 1 1 1 10426 11138 1 1 9187 7948 1 2244 2843 5651 5810 6717 1 1 1 1 1 5599 6211 1 1 1857 1 2859 110.012 *110.012* 110.012@1.407232 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 1919 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 1 1 1 1 1 1 1 1 1 1 1 1693 1 1 110.012 *110.0121* 110.0121@3.0149603 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 2957 1 1 1 1 1 1 1 1 1 1 1 1 110.0121 *110.0122* 110.0122@2.0424318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 110.0122 *110.0123* 110.0123@1.9620084 1 1 1 1 1 1 1 1 1 1 1 1 1 6669 5126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4239 1 1 4912 1 1 1 2820 1 1 1 2649 1 1867 1 1 1 1 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 4103 3572 3438 1 2479 2382 1 4896 2061 110.0123 *110.0155* 110.0155@1.8756754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 110.0155 *110.022* 110.022@0.720409 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.022 *110.0256* 110.0256@0.71828884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7667 6887 1 1 1 1 1 1 7934 5605 1 1 1 5711 4683 6771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9271 13437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0256 *110.0336* C6 H6 O2 1 1 1 1 1 1 1 1 1 1 41707 34739 15332 18718 1 1 1 1 14665 20001 19527 19221 1 1 1 1 16366 13358 1 1 1 1 10104 8925 11059 1 1 1 4697 6860 17139 16729 1 6499 9912 7495 17271 19152 5438 1 1 1 21958 28584 1 1 1 1 1 1 22814 27646 1 1 27991 28694 1 1 30136 32380 21611 18355 10646 9232 21776 22746 13335 12895 11950 10864 12667 12492 1 9713 32379 29104 19033 18383 6156 6345 110.0336 *110.0718* 110.0718@1.1319919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7182 6797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0718 *110.0806* 110.0806@5.631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 110.0806 *111.03* 111.03@2.015256 3940 3655 4809 1 1586 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 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 1 111.03 *111.0312* 111.0312@1.6723157 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2026 1 1 1 1 1 1540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 111.0312 *111.032* Pyrrole-2-carboxylic acid 4593 4166 1 6137 3869 4397 5110 3964 5249 5141 5192 3069 5036 5354 5388 6090 4208 5011 4076 4620 4822 4323 6448 5965 5424 5244 5820 4746 5110 4314 6453 5059 1 3893 4345 4985 4397 5410 3842 4338 5556 7848 5343 7177 6474 5040 5314 4865 5865 5480 7972 8141 6068 5464 6180 5792 6320 7247 4944 4203 7055 5279 6789 7176 4071 5467 5409 5821 4232 4070 3394 5234 7398 6409 6089 7077 5326 5118 15156 14539 5254 4825 5364 5097 5921 5577 6791 6421 5655 5481 HMDB04230 C05942 111.032 *111.0327* Pyrrole-2-carboxylic acid - 1.9725019 1 1 1 4327 3423 4293 4374 4749 4184 3957 3840 4226 3813 3340 4046 2992 3943 2808 3803 3633 3426 2441 6188 6427 4812 3937 5913 3524 1 5598 6005 2958 1 3434 2797 3429 3123 5753 2962 3205 2863 1 4028 5393 5098 3585 3524 3861 4161 3016 4750 4777 3407 3934 4463 3978 4665 5413 3762 4308 4522 3468 3765 3696 3305 3422 3983 3594 3759 3515 3503 2571 3055 4481 4549 7387 5809 4594 2345 2677 3683 1 3156 2902 3069 4069 4019 5321 3230 2815 HMDB04230 C05942 111.0327 *111.033* Pyrrole-2-carboxylic acid - 2.172489 1 1 2137 1 1 1 1 1227 1 1 2728 2631 1 1 1 1 1 2955 1992 1 3568 3381 1 2967 1910 1 3510 2129 1 1865 4426 3700 4052 3181 2204 1 1 3929 1 2189 2598 1 1 1 2317 1648 1 2095 3539 1 2987 3225 2776 1888 1 1 1 2896 1 1 3699 3541 3990 3877 2653 3262 4488 6427 3695 3820 4318 4520 1 1 2643 3504 1503 1 2459 3283 1 2883 2510 2203 4395 4126 3877 3880 3297 1334 HMDB04230 C05942 111.033 *111.0336* 111.0336@5.7156553 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 111.0336 *111.0344* 111.0344@1.2367917 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 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 1 1 1 1 111.0344 *111.0359* 111.0359@4.0484858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 111.0359 *111.036* 111.036@2.0480652 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 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 1419 1 1 1 111.036 *111.0363* 111.0363@0.7107655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3421 1 1 1 1 1 1 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 1 111.0363 *111.9828* C4 H Cl N2 44757 45879 43182 43388 45214 45514 47305 47544 49875 49123 48292 49263 43123 44825 43779 43078 46301 48167 49178 49021 43790 43677 48336 50223 47933 47396 47390 46380 46865 45679 46964 45661 48188 49700 52379 50930 49973 53188 49098 48235 45943 45957 52840 51117 46271 44468 49790 51149 48757 49445 42892 42774 46341 48994 53920 52850 53199 55215 50023 49390 46174 45588 52380 51002 53754 51539 54343 57991 59022 57436 51002 51450 50681 52515 51694 50326 47103 43648 41695 41101 48918 51980 49612 51243 52915 53761 68809 69458 48330 46677 111.9828 *112.0092* 112.0092@0.909036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2575 1 1 1 1 1 1 1 1 1 1 1 3253 1 1 1 2636 1 1 112.0092 *112.0105* 112.0105@1.1119395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 112.0105 *112.0109* 112.0109@0.6997631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.0109 *112.0119* 112.0119@0.7121668 4596 1 1 1 1 1 1 2669 1 2863 1 1 1 1 1 3040 8496 2542 1 1 4536 1 1 1 5553 1 1 1 6357 1 1 1 1 1 1 1 1 1 5698 1 1 1 1 5526 1 1 1 1 8356 11412 8521 1 9374 1 1 13108 1 4661 9616 1578 2570 1 7342 1 1 4572 1 1 1 1 12340 4167 1 1 3258 6653 1 1 1 3077 2000 1360 1 7872 1 1 9489 1 3652 7301 112.0119 *112.0126* 112.0126@0.82751375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3620 1 5385 1 1 1 1 1 1 1 1 1 1 1 1 5605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.0126 *112.0152* 112.0152@2.1025596 1 1 56820 1 54951 1 1 1 1 36289 1 1 1 14420 1 1 1 1 44893 1 1 1 1 1 1 1 76950 1 1 1 1 1 28620 1 1 1 1 1 12280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11882 1 1 1 1 1 1 1 1 1 1 1 16480 6167 1 1 112.0152 *112.0152* 112.0152@2.0309792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 92587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.0152 *112.0157* 112.0157@1.3778312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7544 1 1 112.0157 *112.0158* 112.0158@1.4634153 1 1 1 1 1 1 1 1 1 1 1 1 1 7281 1 1 1 1 1 7747 1 1 1 1 1 1 1 1 1 1 1 1 3440 1 1 1 1 1 9831 1 1 1 1 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 1 1 4002 1 1 112.0158 *112.0158* 3-Furoic acid 44149 49112 25060 75481 17007 76918 5251 24361 57981 28306 16421 87209 52313 64437 54262 42551 1 1 24629 64724 36922 35111 56340 52260 54501 47675 8941 78951 36663 35856 57762 69636 70912 76873 43360 55568 57756 50923 3310 98156 1 1 69107 64335 70761 58979 38118 31004 4051 18812 1207 1 25137 1 1 5926 60331 62749 1 1 1 1 1 1 7939 25493 1 1 60508 63470 15429 1 23118 20656 4920 1 46191 41906 1 1 5743 1 20681 1 71756 62376 33214 47109 1 14381 HMDB00444 112.0158 *112.0165* 112.0165@2.9883919 21515 19597 12084 1 1 18317 1 1 1 1 1 1 22410 5038 16004 13190 1 1 12680 14390 1 1 10208 21985 1 11873 40392 22622 8347 1 19896 1 39585 1 1 7494 1 1 22491 1 1 1 1 1 18889 1 1 1 1 1 1 1 1 6014 2061 1 16715 15572 1 1 1 1 1 1 1 4641 1 1 19254 1 1 1 1 13729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.0165 *112.0174* 112.0174@1.2995677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2201 1 1 1 1 1 1 1 1 1 1 2118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4537 1 1 112.0174 *112.0182* 112.0182@2.9004266 1 1 1 1 1 5729 1 1 1 1 1 1 1 1 1 7659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.0182 *112.0183* 112.0183@2.9017904 7434 8622 1 33661 26668 5965 1 5479 14055 7127 1 13784 8550 7329 8425 6142 11557 1 7382 28126 14462 19427 12836 5745 29830 10766 1 13636 8428 16344 15688 1 1 16603 5270 7953 5046 1 1 14391 1 1 16826 9297 1 1 3266 1 4846 1 1 1 8287 6902 4322 1 9263 12071 1 9146 1 4543 9383 1 3796 1867 1 1 1 1 3020 1 10897 4681 1 7435 10262 1 1 1 1 2306 1 2727 1 1 1 8221 7082 3616 112.0183 *112.0185* 112.0185@1.6846101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16218 1 1 1 1 1 9658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.0185 *112.02* C5 H4 O3 1 1 19121 7167 27790 16879 7554 1 1 23700 18306 15977 1 23168 4751 13479 2803 1 30184 4729 1 1 1 1 12202 1 27166 24569 1 1 21281 13128 7308 1 1 1 1 1 25458 1 1950 1 28222 23231 26630 29721 1 1 1 1 1 6179 1 26947 13097 8404 32984 26890 8883 8203 1 6976 1 1 17675 1 1 3662 22213 1 6341 9989 1299 2540 2497 15638 1 1 8481 8599 10673 13336 4079 13881 1 23808 1 1 1 1 112.02 *112.0207* 112.0207@1.1924407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 112.0207 *112.0211* 112.0211@1.9778819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10788 8676 1 1 1 1 1 1 1 1 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 10080 1 8215 6398 1 1 9882 7432 1 1 1 1 1 1 1 1 1 1 5244 1 1 1 1 1 1 1 1 1 1 1 112.0211 *112.0212* 112.0212@3.3569725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6077 4590 1 1 1 1 1 1 1 1 4309 4955 1 1 1 1 1 1 3612 4168 1 1 1 1 1 1 1 1 4249 1 112.0212 *112.0214* 112.0214@3.4109073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 112.0214 *112.0222* 112.0222@1.6350281 22011 15824 1 23053 1 1 12759 1 1 1 1 12557 1 1 15974 13549 1 5682 1 16578 16250 16972 20349 22270 18054 1 1 1 19567 18917 1 17880 1 1 15508 24371 17886 1 1 1 1 1 1 1 1 1 15893 16890 1 1 1 1 1 16232 1 1 1 1 1 1 1 1 1 1 18124 20665 1 1 1 1 1 1 7964 1 1 11037 19512 18733 1 1 1 1 1 1 1 1 21380 20433 1 1 112.0222 *112.024* 112.024@2.8946002 1 1 1 1 1 1 1 6178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2361 1 1 4961 3768 1 1 6087 1 7736 6462 1 1 7138 4932 4296 4853 1 1 1 1 1 1 5797 1 1 1 1 1 1 1 1 3747 1 1 1 1 1 1 112.024 *112.025* 112.025@1.5937268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8235 1 1 1 1 1 1 1 1 1 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 1 112.025 *112.0252* 112.0252@1.3472538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27541 25998 1 1 1 1 1 1 1 1 1 1 112.0252 *112.026* 112.026@1.62408 1 1 1 1 1 1 6938 13359 1 1 1 1 1 1 1 1 15235 12616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19553 12750 1 1 1 1 1 1 13373 15091 20998 20561 21698 1 24677 19060 1 1 12374 11687 16158 15668 17248 16974 1 1 17043 20384 1 1 15140 12587 1 20567 21218 10271 1 1 30362 30706 15535 13434 18786 6868 1 1 1 1 18896 15521 112.026 *112.0299* 112.0299@1.5161952 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 2963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.0299 *112.0346* 112.0346@1.5163808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7994 7185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.0346 *113.0184* 113.0184@1.9763391 3768 1 1 1 6577 6060 3879 2931 1 1 7618 1 5784 1 3688 1 1 1463 1 2312 3160 2578 1 1 2694 2727 5437 5263 3048 2461 1 4302 6929 1 4434 3367 3720 2188 1680 1 3164 1 2626 1 5248 3860 2497 2497 1779 2600 1283 3978 2443 1 1579 2675 3592 4012 1 1 4663 3869 1702 1619 4590 3542 3803 2775 3978 4525 3405 4721 3318 3532 2790 2195 2826 4071 1 1 3847 3696 3327 4657 5260 3849 6100 5203 1 1868 113.0184 *113.0197* 113.0197@2.9556983 1 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 2125 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0197 *113.0205* 113.0205@2.0673392 1 1 1 1 1 1 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 2217 1 1 1 1 1 14363 2752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21544 1 1 1 1 1 1 15883 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0205 *113.0215* C3 H3 N3 O2 3946 1989 4048 3854 3248 3223 1 7002 2943 3394 6133 6349 3640 4582 3596 3823 4974 3066 5068 5208 3723 5929 1 3172 3240 1 4875 4671 3379 4214 4058 4899 5932 6004 3538 4796 3790 6210 3597 1 3952 4319 6008 1 1 1 4218 4488 7066 8237 5438 4016 1 1 2742 2957 3136 3211 2488 2711 10685 1 4100 4925 1 7066 1 1 6177 6435 7916 6688 5000 5397 3930 4202 6503 6167 5439 4906 5668 6119 8173 5494 2570 13906 1228 7933 1 3247 113.0215 *113.0217* C3 H3 N3 O2 - 1.5162711 11132 11860 16484 20886 14684 16933 23859 22701 16821 16028 25052 26994 16944 14563 16020 16352 17002 16026 22692 22428 19086 18080 10273 10808 11847 12616 22492 20763 11926 13019 19088 18522 24078 24120 10739 15656 18929 19180 13561 11640 13150 15100 16088 17662 10076 11770 16932 16887 23092 24447 18175 16531 13942 16116 9437 8946 11070 11178 8617 9873 32137 34005 9116 15491 20941 21205 15190 14889 22071 21988 24465 22460 19654 17068 12120 15192 25980 21474 13587 11784 20053 20435 23079 15499 10094 35772 8351 26794 12281 11001 113.0217 *113.0221* 113.0221@1.5835717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8000 1 1 1 4067 1 1 1 1 1 1 1 1 1 1 1 17497 15038 1 1 1 8427 33159 1 25110 1367 1 3274 113.0221 *113.0335* 113.0335@1.9628195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5187 5157 1 1 1 1 1 1 1 1 1 1 113.0335 *113.0586* 113.0586@3.9870877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203485 1 1 1 180780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284539 1 1 1 1 1 1 1 1 3118 3333 325354 1 1 1 1 1 1 1 1 1 113.0586 *113.0586* Creatinine 214422 221111 247330 253385 168074 168977 236279 238817 219321 216484 265678 267815 204500 204658 208466 205191 257026 263777 292011 288571 6382 215169 239701 247636 1206 175546 225458 223217 195241 196673 238286 245064 253174 250403 251655 253868 335261 340464 300696 306072 271353 267703 222380 225161 18986 216858 257556 261333 234290 235184 231239 231974 276616 277317 238632 237207 214961 216502 310996 307954 344488 344996 333183 336132 236182 239489 351423 353264 288149 6767 323440 322598 195154 195309 223529 224286 272070 273200 296635 289505 1156 333079 267755 272265 346353 346196 271519 273365 305516 303274 HMDB00562 C00791 113.0586 *113.1482* 113.1482@4.0380154 3420 3554 3820 4079 2412 2163 3850 3930 3456 3302 3902 4100 2722 2924 3144 2701 4038 3788 5091 4984 3347 2812 3741 4152 2753 2410 2484 3200 1916 2993 3886 4050 3183 3858 3896 4103 6105 6249 5345 5236 4449 3959 3366 2271 3133 3217 4188 3388 3336 3432 3400 3222 2822 3035 1812 3599 1 2900 4635 1 5664 5660 5842 5862 3437 3593 6213 6600 4432 4697 5169 5032 2754 2540 3333 2347 4093 4563 4876 4496 5471 5733 4036 4600 5919 5370 4062 4194 5098 5162 113.1482 *113.9919* 113.9919@0.9673368 31084 31706 28629 1 22944 23668 23949 31957 25497 23647 24576 1 28441 28560 27530 29924 25612 24361 27343 1 25209 1 28285 24192 22480 1 20136 17383 22108 20009 18721 1 1 17727 19613 17153 1 17293 17507 19606 17030 16366 16159 15935 13607 14894 4740 1 1 12211 12919 13223 12972 12417 1 15022 14310 14327 14737 14219 12808 12316 11971 15571 12574 12553 12896 11452 1 12481 11234 1 12277 1 14425 12235 55243 56332 1 1 13394 13744 1 12598 1 11185 12584 10941 12922 11534 113.9919 *113.9921* 113.9921@0.8123804 1 1 1 1 1 1 70575 64022 1 50782 70996 64943 1 35677 63510 58020 1 1 1 45326 54187 47854 50153 46523 1 49227 1 1 1 41565 1 41541 1 1 34163 35237 35576 38090 1 1 24946 32649 1 1 1 30241 32229 33542 21413 19484 1 8213 1 30834 1 27273 1 1 27413 29314 20449 18371 1 23823 1 1 1 18409 19172 1 21483 1 20766 15218 45112 40588 9778 1 1 24489 1 1 16501 19150 1 1 19341 16067 18803 20091 113.9921 *113.9921* 113.9921@0.6948447 1 1 1 1 1 1 1 134417 1 1 1 1 1 1 107316 53721 1 1 1 28157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12395 1 1 1 1 14956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10090 1 1 8602 1 7972 15199 1 1 1 1 1 51340 1 1 49115 1 1 5001 1 1 1 1 1 1 1 1 6131 12449 1 1 1 1 43459 1 113.9921 *113.9924* 113.9924@4.0875835 66301 1 1 1 1 1 1 1 1 1 1 1 1 45500 10778 1 1 1 1 1 20629 1 1 1 1 1 1 1 1 1 1 1 13270 1 1 1 1 1 12010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24198 1 1 23413 1 1 1 1 1 1 1 1 1 1 1 12342 1 1 113.9924 *113.9924* 113.9924@6.8654613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9924 *113.9925* 113.9925@1.040525 202898 38532 29909 29452 72591 75491 72145 74247 84285 74647 66121 71764 71243 80346 78337 71953 73435 75730 74963 75258 66444 67423 68263 73112 69840 86351 73357 68790 52069 53992 65796 75467 63277 63386 60451 63253 67297 81001 69669 69979 59689 58779 71395 64437 60200 66207 125811 79607 62123 60305 51958 51912 55895 58884 54539 53761 80074 81039 63830 61495 97638 97574 90187 90335 67767 65786 95348 92869 58693 58359 52500 51586 59386 96878 97319 94662 94425 91428 104177 100766 57336 53576 44006 47355 73277 107514 60851 61166 73241 88313 113.9925 *113.9926* C4 H2 O4 - 1.130052 1 164841 111882 1 113366 102042 94198 94829 99936 103816 108248 100349 92048 86217 91874 1 1 1 1 84347 73361 71760 77735 76541 90514 86173 89944 89579 76095 67833 1 1 67301 63163 68050 67143 64620 54011 67640 69712 1 1 62237 60437 56605 53395 13976 44172 50412 51122 36240 37498 1 1 47255 47193 46604 48362 1 1 1 1 1 1 37165 1 1 1 47864 44627 1 1 34997 1 1 1 1 1 1 1 28864 31332 26968 27979 34276 1 34692 32253 17494 1 113.9926 *113.9927* 113.9927@5.6210485 17404 1 1 1 1 1 1 1 1 1 1 1 1 15489 28047 1 1 1 1 1 18473 32477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18014 1 1 1 1 34136 1 1 1 30629 1 1 1 1 1 1 1 1 1 27027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39756 1 28856 1 1 1 29739 1 1 1 1 1 1 30888 1 1 113.9927 *113.9927* 113.9927@4.014335 20929 1 1 1 1 1 1 1 1 1 1 1 1 17761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9927 *113.9928* 113.9928@1.3820157 32195 1 413040 400738 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 27588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13507 1 1 113.9928 *113.9928* 113.9928@1.5635208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9928 *113.993* C4 H2 O4 - 5.4857817 504977 501796 498859 503166 500895 502053 511169 513299 518799 520583 520038 518835 500834 499579 506305 523542 553392 555200 526593 515066 512823 495430 533115 542010 513490 497809 522785 530026 500186 512239 528332 537525 559156 547398 544724 543344 531355 534882 562836 565421 550346 544793 527479 492187 521322 526415 529037 499192 551876 549291 681358 692830 641532 643389 612265 617524 585256 565873 569807 570731 687903 690133 565791 560188 653178 666892 645310 639311 567484 570333 752774 779294 558947 559784 564893 603271 682385 724086 759774 760829 731210 766398 733482 739901 774504 780050 730582 724797 651370 653590 113.993 *113.9931* 113.9931@1.4656701 1 1 1 1 1 1 1 1 1 1 1 1 1 33101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12293 1 1 113.9931 *113.9937* 113.9937@1.6222422 1 1 1 1 1 1 1 1 1 1 1 1 1 21512 1 1 1 1 1 117840 55283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 65590 1 1 113.9937 *113.9937* 113.9937@2.9398544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23813 11662 1 1 27065 1 1 1 1 1 92315 1 1 15073 1 1 1 1 75077 15396 47638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39217 1 21461 1 1 1 1 1 1 13365 1 1 1 1 1 1 1 113.9937 *113.9939* C4 H2 O4 101075 1 1 108065 1 330760 1 1 298003 1 302643 1 164212 130680 80155 1 1 1 1 20444 38181 1 1 255937 227340 114912 137410 1 1 1 1 1 178636 352583 1 196481 1 230035 174238 366526 1 1 1 343515 82800 293923 1 1 1 1 1 1 18407 16877 1 1 1 82439 1 1 1 13942 30859 7538 1 1 22644 1 77358 69083 1 1 22175 1 1 26327 1 1 15948 56743 1 1 1 1 63054 113029 72428 5600 1 1 113.9939 *113.994* 113.994@1.3890634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13797 1 1 113.994 *113.994* 113.994@2.046424 49152 1 1 1 1 1 1 1 1 1 1 1 276132 102668 59263 1 1 1 1 283288 45875 1 1 1 1 1 483993 378626 1 1 1 1 427108 1 28585 1 1 1 367188 1 1 1 66009 1 1 1 1 1 1 1 1 1 1 51590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 53424 1 1 1 16896 1 1 1 1 1 7436 1 1 1 1 1 58577 37469 65886 230519 1 1 113.994 *113.9943* 113.9943@2.0209672 1 1 1 1 1 1 1 1 1 1 1 1 1 23499 34988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106554 1 1 1 1 1 58578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21859 1 1 1 1 1 1 1 1 1 1 1 1 87316 1 1 1 1 113.9943 *113.9946* 113.9946@2.9685383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117013 1 1 1 1 88098 1 1 1 1 1 29037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9946 *114.0261* 114.0261@2.3829412 1 1 1 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 4569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0261 *114.0266* 114.0266@1.981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4379 1 1 1 1 1 1 1 1 1 1 114.0266 *114.0267* 114.0267@2.70033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2072 1 1 2734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12500 1 1 1 114.0267 *114.0267* 114.0267@2.8298209 1 1 1 1 1 9364 19531 14941 1 1 1 1 1 1 1 1 3977 6315 1 1 8281 1 1 1 16481 18646 1 1 19685 17750 1 1 1 1 3874 6462 8966 7040 1 1 5493 6356 1 14244 1 10636 17963 16418 6364 1 1532 1 1 1 1 1 1 1 5380 4215 1 1 1 4481 1 1 1 1 1 1 1 1 1 7156 3981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0267 *114.0274* 114.0274@2.3892531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1903 3819 1573 1 1 1 3569 1 1 1 1 4379 2423 2309 1 1 1 1 1 1 1 10971 10387 2082 1 1 3908 1 1 18249 9229 1 1 1 1 1 1 1 1 1 1 114.0274 *114.0278* 114.0278@2.6433105 1 1 1 1 1 1 6183 1 1 1 1 1 1 1 1 1 3522 5602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3343 1509 1 1 1 1 1 1 1 1 2935 6006 8675 10901 1 7538 1 1 6677 4086 1521 2839 1 3371 1 1 2248 5039 1 1 9305 10649 7407 2740 5212 1 1 1 6366 5394 6669 6152 7399 1 1 1 1 10835 5613 1 114.0278 *114.0292* 114.0292@2.7857156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 1596 1 1 1 1 1 1 1 6542 2084 2563 2898 1 1 1 1 1 1 1859 1 1 3396 1086 1 1 1 1756 1 1 6519 1 15512 1 1 1 1 1 2591 3766 3294 7819 3018 3314 1 1 1 1 2608 1 114.0292 *114.0305* 114.0305@1.6395447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52394 34492 1 1 1 1 1 1 1 1 1 1 114.0305 *114.0307* 114.0307@1.677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21386 1 1 1 1 1 1 1 1 1 1 114.0307 *114.0615* 114.0615@1.445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 114.0615 *114.063* 114.063@1.7121195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6535 6328 1 1 1 1 1 1 1 1 1 1 114.063 *114.064* 114.064@1.0053847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1093 1163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.064 *114.0817* 114.0817@1.0448616 1 1 2689 1 1 1307 1330 1602 1 1382 1 1338 1 1109 1 1 1196 1 1173 1 1 1 1 1 1126 1 1 1 1 1 1024 1 1 1062 1168 1 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1188 1029 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 1 114.0817 *114.0818* 114.0818@5.4855046 12352 11988 11959 12295 11936 12277 12658 12743 12843 12349 12600 12343 12046 12268 12350 12532 13184 13807 12852 12357 12540 12502 12905 12949 12670 12259 12489 12403 12085 12680 12878 12386 13634 12814 12638 13471 13100 12674 13296 13587 13227 13526 13075 12068 12237 11957 12262 12115 12851 13207 16835 17246 15495 15632 13250 14498 13695 14215 13053 13877 16805 17689 13590 13048 16533 16678 16413 15972 13015 13764 19310 1 12923 12828 14242 13882 17071 17391 18776 18253 16869 18442 18160 18165 19305 18475 17840 17541 14772 15264 114.0818 *114.0819* 114.0819@1.4043281 1 1 11517 8357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0819 *114.0823* 114.0823@1.602086 1 1 4067 3767 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0823 *114.0835* 114.0835@1.656954 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0835 *114.0838* 114.0838@2.0243618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0838 *114.0839* 114.0839@1.1244105 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0839 *114.1157* 114.1157@1.405831 1 1 3096 2683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.1157 *114.1183* 114.1183@5.485728 3016 3000 3031 2948 3070 3172 3252 3062 3472 3084 3165 3014 3172 3085 3187 3300 3349 3576 3409 3288 3560 3188 3243 3444 3288 3185 3265 3245 3180 3302 3358 3349 3594 3480 3321 3305 3502 3626 3530 3820 3622 3734 3395 3190 2924 3444 3038 3268 3434 3411 4517 4381 4179 4196 3684 3910 3577 3653 3595 3788 4159 4557 3695 3607 4614 4364 3949 4244 3498 3717 5188 1 3290 3218 3813 3630 4367 5034 4858 5212 4989 5201 4899 5167 5188 4960 4771 4799 4092 4297 114.1183 *114.9171* 114.9171@0.75990903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.9171 *114.921* 114.921@0.76170933 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2013 1488 1 1 1 1904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.921 *114.9353* 114.9353@0.91 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 114.9353 *114.946* 114.946@0.8282995 1 1 1 1 1 1 1124 1 1583 2092 1 1 1 1127 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 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 1737 1 1 1 1 1 1 1 1 1 1 1 1 1 114.946 *114.9473* 114.9473@3.0430698 1 1 1 1 1366 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 1 1 1 1 1 1 1 2202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.9473 *114.9482* 114.9482@1.604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 114.9482 *114.9482* 114.9482@1.2489895 1 1 1 1 1 1 1 1 1 1 1604 1 1 1892 1 1 1432 1813 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 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 1 114.9482 *114.9484* 114.9484@1.9694973 2616 3977 1 4880 4578 2918 5662 4895 4862 2376 4713 3751 4322 3761 3034 3716 3863 3777 3930 4191 3789 3769 4886 4726 3795 3880 5067 4116 3961 4103 4174 4686 3242 2355 2395 2281 2483 2632 3605 2255 4497 2734 2739 4223 2207 3775 2692 3364 4523 3641 3408 4068 3371 2575 2582 2431 1 2033 2318 1 2520 2636 5377 1990 2295 2430 4044 2102 2317 2301 2642 2219 4804 2696 2917 2716 1 2624 2802 2406 2459 4513 2275 3603 2267 3732 2233 3927 2306 3572 114.9484 *114.9972* 114.9972@1.1174451 1652 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.9972 *114.9972* 114.9972@2.9573011 1 1 1 1 1 1 1 1 1 1 1 1 1053 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 1 114.9972 *114.9983* 114.9983@1.6775072 1 5832 1 1431 2514 1 1 1 1 1 2683 1 1 1 1 2854 1 1 1 1 1 1 1 1887 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.9983 *115.0002* 115.0002@3.0294592 1 1 1 1 3996 1 1 1518 1 1 1 1 2261 1 1 1 1 1 1 1 1 1 1 1004 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0002 *115.0007* 115.0007@2.1197512 1 1 4549 1 1 3661 1 1 1 1 1 1 1 1886 1 1 1 1 1 1 1 1 2027 1 1 1 1 1852 1 1 1 1 1170 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 1004 1 1 115.0007 *115.0011* 115.0011@1.5056843 1 3908 1 1 1 1 1 1 1 1 1 1 2772 1 1 1 1 1 1 1 1 1 1 1517 1 1363 1 2441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0011 *115.0021* 115.0021@3.1211965 1 1 4829 1 1 1 4089 24167 1 26037 1 1 1 20263 1 1937 1 1 1 4027 1 1 4064 2177 1 23630 1 1 1 1 1 1 6601 1 3694 25290 1 1 1 1 5448 2663 1 3486 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 1 115.0021 *115.0063* 115.0063@1.4066089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0063 *115.0085* 115.0085@3.0755272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5332 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 1 115.0085 *115.0119* 115.0119@1.4100059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 115.0119 *115.0181* 115.0181@1.9766872 1 1 1 1 1 1 1 1 1 1 1 1 3357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0181 *115.021* 115.021@1.9799154 1 1 1 1 1 2280 1 1 1 1 1 3443 1 1 1 1 1 1 3332 1 1 1 1 1 1 3802 1 1 1 1 1 1 1 1881 1 1 1 1 1 1 1 1 1 1 1 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 1319 1 1 1 1 1 1 1 1 1 1 1 1 115.021 *115.0214* 115.0214@3.750981 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0214 *115.0234* 115.0234@3.0903435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5245 5875 1 1 1 1 1 1 1 1 1 1 1 3348 1 1 1 1 1 1 1 3762 1 1 1 1 1 1 1 1 1293 1 6400 10736 1 1 3033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0234 *115.0249* 115.0249@0.7109915 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 1 1 1 1 115.0249 *115.0251* 115.0251@1.4770741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2242 2994 1 1 1 1 1 1 1 1 1 1 3812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0251 *115.0257* 115.0257@3.2513504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3956 1250 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 2832 1247 1 1 1 1 1 1 4163 5952 1 1 1 6380 1 1 1 1 1 1 1 1 1156 7423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0257 *115.0267* 115.0267@3.2416961 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 2188 1 2307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2661 1 1 8049 1 1 1 1 1 1 1 18564 1 1 1 1 115.0267 *115.0268* 115.0268@3.933092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0268 *115.0272* 115.0272@1.9630281 1 2286 1 2105 1 1 2709 1 1 1 1 1 1 1 1 1 1 1 1 3447 1 1 2680 2723 1 1 1 5364 1 1 1 1 2287 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 1 1 1 1 1 1 1 1 1 1 1 1 1 2715 1 1 1 1 1 1 3146 1 1 1 1 1 115.0272 *115.0278* 115.0278@3.1773899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3052 1 1 4525 3498 1 1 1 1 1 1 1 1 3113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2885 3615 3671 4923 1 2160 1 1 1 1 1 1 1 1 8766 1475 2882 9167 1 2925 2817 1 1 1 1944 3459 1 4302 9866 11359 11986 1 19609 15631 1 4257 1 1 17479 1 115.0278 *115.029* 115.029@1.5211843 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 1262 1 1 1 1 1 1 1 1 1 1 1953 1 2094 1682 1 1 1468 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 1 1 1 1 2536 1 1 1 115.029 *115.0291* 115.0291@2.004017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 3183 1 1 1 115.0291 *115.0314* 115.0314@3.0152738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8032 1 1 1 1 1 1 1 1 1 1 1 1 10153 7122 1 1 1 1 1 1 1 1 1 1 115.0314 *115.0329* 115.0329@1.9293934 1 4462 1 1 1 1 2899 2107 1 1 1 1 1 1 1 1 2458 2808 4437 1276 4295 1 1 1 2650 3964 1 1 3016 3355 1 1 4437 5053 2347 1 2760 1977 1 1 2732 2657 1 1 1 2723 1 1 4738 4818 4879 2826 3164 4158 4326 3490 1 1 4869 4434 5766 1 3439 5511 1 1 4838 3865 1 1 2953 1962 2625 1 2880 3072 1 1 4186 4027 1 4257 2815 3437 1 1 4120 4030 4005 2809 115.0329 *115.0337* 115.0337@2.0530584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1323 1 1 1 1 1 1 1 115.0337 *115.0338* 115.0338@1.5167007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 115.0338 *115.0351* 115.0351@1.7893386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 115.0351 *115.0362* 115.0362@1.7688209 1 1 8277 3537 1 1 5683 5527 7058 5731 1 3637 1 1 1 1 6924 5477 1 1535 3406 5138 1 1 1 1 6670 6142 1 1 7870 7186 1 1 1 2325 1 1 1 1 3886 3693 1 1 1 1 5971 5265 4466 4626 2884 3239 3346 4004 1676 2409 7184 7541 1 1 4540 5189 6378 5872 6625 6342 6767 6394 2643 3433 7447 7553 4215 4914 3312 1279 4630 5633 16264 16443 2561 4064 5483 5882 6311 6093 7245 8911 4162 6052 115.0362 *115.9409* 115.9409@6.804709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 115.9409 *115.9434* 115.9434@1.97038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.9434 *115.9447* 115.9447@0.7591086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 115.9447 *115.9457* 115.9457@1.6340594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2756 3261 1 1 1 1 1 1 1 1 1 1 115.9457 *115.9458* 115.9458@1.9740531 2541 2004 2494 2704 2703 2797 2697 2376 2324 2107 2458 2797 2268 2280 1906 2567 2220 2439 2222 2266 1 2360 2273 2085 2437 2290 2084 2066 2425 2355 2136 1794 1932 2040 2102 1 2041 2011 1770 2194 2428 2333 1 1718 1 1645 2626 2556 1 2609 2091 1713 2447 1547 1 2444 1905 2006 3907 2537 2010 1 2314 2565 2557 1928 2184 2400 1 1915 2245 1 2188 2330 1796 1 2039 1 1793 2506 1 2003 1 1 2473 2060 2164 2442 1 1306 115.9458 *115.9546* 115.9546@0.9245255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3397 2957 1 1 1 1 1 1 1 1 1 1 115.9546 *115.9956* 115.9956@6.8631635 5532 5889 5394 4943 4626 5469 5605 5982 5234 4933 4786 6175 6516 6168 6170 5592 2220 2926 6592 5692 1 5738 4674 6712 1554 5798 6046 6843 4283 4635 6793 6202 6192 6197 3556 3721 5612 5727 1 6921 6577 5364 4102 3985 6267 5710 3002 3109 4993 4105 17207 17648 12308 12309 5865 6854 6071 7238 4218 4470 13013 12737 5303 4293 9910 9705 8971 8027 5138 6100 25520 25184 4044 3451 6512 7146 23651 24132 16436 17030 19884 19008 18461 17886 24007 24073 16075 16494 10263 12272 115.9956 *115.9959* 115.9959@6.884576 1 1 1 1 1 1 1 1 1 1 1683 1 1 1 1 1 2382 1684 1 1 1 1 2814 1 4049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.9959 *116.0097* 116.0097@1.1466653 1 2801 1 1 1 1 1 1 1 1 3050 1 4383 1 1 1 1 1 1 1 1 1 1 1 1 1676 1721 1 1 1 1 1 1 1 1 1 2319 1066 1 1 1 1 1 2930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0097 *116.0103* Fumaric acid 2318 2340 1 1 1 1 2627 2657 2226 2158 2998 2910 2453 1 2271 2956 3496 3297 3173 3269 9705 9536 21918 20920 2400 2796 2212 1 6685 6858 8593 8235 6881 7146 7557 7617 3461 3510 3339 3386 4805 4693 2266 2199 2767 2717 2217 2468 4264 3776 7922 7874 7973 7772 4569 3783 5766 6306 3416 3172 3869 3643 3052 2711 5471 5107 11374 11559 10368 10998 3396 3445 3990 4007 4373 4146 3268 2916 8281 8576 16161 16192 6917 7390 4295 4494 12410 12063 17318 16851 HMDB00134 C00122 116.0103 *116.0127* 116.0127@1.6368823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5057 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 1 1 1 1 1 1 1 1 1 116.0127 *116.0148* 116.0148@1.549476 1 1 1 1 1 1 1 1 1 2849 1 1 1 1 1 1 1 1 1 6195 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0148 *116.0155* 116.0155@3.041889 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0155 *116.0161* 116.0161@1.41752 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0161 *116.0169* 116.0169@2.062751 1 2655 1 1 16405 1 1 1 14174 1 1 1 1 22306 1 1 1 1 1 1 1 1 1 1 1 1 1 17075 1 1 1 1 18735 1 1 1 1 1 9333 1 1 1 1 13719 14634 1 1 1 1 1 1 1 1 1 1 1 11326 19425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0169 *116.0174* 116.0174@2.34529 1 6897 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0174 *116.0181* 116.0181@2.9230776 1 1 3089 1 1 1 1 1 1 1 1 5325 3420 1 1 1 1 1 1 1 1 1 1 1 1 5661 1 1 1 1 1605 3766 1 3682 1 1 1 1 3974 1 1 1 3794 1 1 1 1 1 1 1 1 1 1 1643 1 1 1 1 1 1 1 1 1 1 6278 1 1 1 1 4547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10670 1 1 1 1 116.0181 *116.0189* 116.0189@2.2648425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1074 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 1 1 1 1 10695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2942 1 1 116.0189 *116.0192* C3 H4 N2 O3 - 2.9114404 2087 1 3915 1 1 1 2838 9664 6249 7549 11418 3267 2347 10514 2381 5755 1 1 8704 1 1 1 5585 5102 7503 1 1 1 4219 1 4234 2550 8688 4576 1 1 10105 10564 1 1 7063 7858 5380 6607 1 1 1745 6402 7633 14110 1 1 1 1 1 1 1 1 1 1 10499 17205 12275 8486 19696 13535 1 1 12741 6126 1 4412 1 4082 4140 2751 8249 18777 1 1 1 5129 1 1 1 42386 1 1 1 1 116.0192 *116.0194* 116.0194@1.4349456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6377 1 1 1 1 1 1 1 1 1 1 1 1 116.0194 *116.0196* 116.0196@1.6048083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2351 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2483 1 1 8739 1 1 1 1 116.0196 *116.0197* 116.0197@2.0710297 15912 22522 1 1 2619 1 1 1 1 26182 15547 1 1 1 2285 1 1 1 1 1 1 1 1 14054 16565 9140 1 1 1 1 1 27990 9763 1 1 1 1 18972 1 1 1 1 1 1 1 22751 1 1 1 1 5514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9361 1 1 1 1 1 10995 1 1 7441 1 1 1 6233 1 1 18445 19498 1 2270 3993 1 116.0197 *116.0206* 116.0206@1.4623455 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 1 3957 1 1 1 1 1 1 1 5209 2063 5210 1 1 1 1 1 1 1043 1 1 1 1 1 2089 1 1 1 1 1 1 5616 3759 1 3929 4534 1 1 1 1 1 2457 4553 4103 1 1 1 1 1 1 116.0206 *116.0216* C3 H4 N2 O3 1 1 14207 14775 7913 5656 17973 1 8219 1 1 13731 7100 10684 20953 6620 6571 10786 10982 8473 14046 14905 1 1 12153 11048 23150 21623 14675 9480 1 1 10589 1 26179 20151 5692 9714 7268 13074 9105 12083 5800 11642 6935 1 1 17871 1 1 7571 9081 10777 30233 2370 6141 12744 9407 4309 3778 20530 35361 17033 14591 1 19385 19205 13417 1 1 1 1 18363 1 3293 1 23705 14091 1 7626 1 11988 1 21418 12860 26502 1 24156 9857 1 116.0216 *116.0216* 116.0216@1.3958067 1 1 1 1 1 1 2996 5291 1 1 5107 1 1 1 3200 1 3167 2547 1 4864 8378 1 1 1 1 1 1 1 1 1 1 1 1 1 2685 1 1 1 1 1 1 2644 1 1 1 1 3539 2531 3775 3981 5248 4397 1433 4797 1652 1391 1 1 1745 4632 7009 9860 1 1 2576 5099 3269 4217 1 1 4375 4585 3851 9416 2613 3532 1959 4907 3063 1 1 2998 3357 2656 3945 12976 11576 4365 2873 1 116.0216 *116.0216* 116.0216@2.9351747 1 1 1 1 1 1 6527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2974 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 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0216 *116.0217* 116.0217@4.0178547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0217 *116.022* 116.022@3.419099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.022 *116.022* 116.022@1.1974671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 116.022 *116.0221* 116.0221@3.4920805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 116.0221 *116.023* 116.023@3.175413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8118 15827 16370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.023 *116.0243* 116.0243@1.9759758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0243 *116.0254* 116.0254@3.7192476 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 1 116.0254 *116.0257* 116.0257@3.0348084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27713 1 1 15117 1 1 19767 1 1 1 1 1 61666 14503 116.0257 *116.0257* 116.0257@3.461436 7143 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0257 *116.0259* 116.0259@1.9664853 1 1 1 1 1 1 14002 12347 1 1 1 1 1 1 1 1 8843 5764 1 1 8315 15596 14521 11683 1 1 1 1 14379 10153 1 1 1 1 1 1 1 1 1 1 12521 6243 1 1 1 1 7054 1 15769 12593 15007 16368 5741 1 20790 25728 1 1 17743 16775 17747 15818 15085 15361 9404 18007 24336 19326 16791 7777 1 16731 14381 16551 6406 14460 1 18155 23207 13478 23860 25529 7464 27914 22511 2695 21906 23640 10798 1 116.0259 *116.0259* 116.0259@4.042482 2359 2928 2566 2871 1398 1 1 2310 1 1 1 1 2398 1 1035 2668 2395 1 1 1 2945 1 1 1 1984 2731 1 1 1 3023 1 1 1 2549 2728 3164 1 2617 2937 1 3120 1 1 2839 1 1 1 1 1 2241 1 1 1 1 1 1 1 1 3470 3699 1 1 1 1 1 1 3334 1 3269 2729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4881 1 5131 116.0259 *116.0259* 116.0259@0.713946 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 6923 6765 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 1 116.0259 *116.026* 116.026@3.0109093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22682 116.026 *116.0265* 116.0265@3.178972 5393 1 1 17676 15735 1 18652 1 1 1 1 1 1 16945 1 1 8071 1 1 15857 13705 1 1 24041 9413 1 1 1 1 1 6774 7546 3600 18000 1 1 15075 16471 26428 1 1 1 20379 1 1 13226 7098 1 6931 1 24180 24231 1 1 4005 1 13942 18348 1 22840 1 29258 1 1 1 1 1 33106 1 1 26443 1 1 1 1 1 1 1 38650 43645 29885 44367 1 1 1 1 38490 49543 1 27103 116.0265 *116.0265* 116.0265@1.6410992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6291 1 1 1 1 1 1 1 1 1 1 1 116.0265 *116.0273* 116.0273@3.3367379 2945 1 7406 1 1 1 1 1 1 1 1 1 1 7006 6906 1 1 1 1 1 1693 1 1 1 1 1 1 1 18323 1 22786 12827 1 1 1 1 1 1 8679 1 1 1 1 1 1 1 1 1 15801 1 1 1 1 1 5170 1 1 1 1 1 1 1 1 1 1 28681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0273 *116.0283* 116.0283@4.0481653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4134 1 1 1 1 1 1 1 1 1 1 1 1695 1 1 1 1 1 2624 1 1 1 1 1 1 1 1 1 1 1 2447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0283 *116.0292* 116.0292@4.021909 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0292 *116.0311* 116.0311@1.2466426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 116.0311 *116.0312* 116.0312@2.5765238 1 1 1 1757 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 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 1 116.0312 *116.0326* 116.0326@1.8555743 1 1 1 1 4724 1 1 1 1 1 1 1 1 1 1 1 1 1 6416 1 1 1 4205 1 1 1 1 1 1 1 6216 5367 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 116.0326 *116.0336* 116.0336@0.8015627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2974 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0336 *116.0355* 116.0355@2.6028988 1 1 1 1 1 1 1 1 1 1 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 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 1 116.0355 *116.0367* 116.0367@1.8425868 1 4381 1 1 1 1 1 1 2504 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 4592 1 2941 1 1 1 1 1 1 1 4775 4522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6731 2317 2631 1 1 6800 1 10675 9937 1 1 1 1 1 1 1 1 116.0367 *116.0389* 116.0389@2.5777774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0389 *116.0399* 116.0399@0.7846988 1 1 1 1 1 1 1 1 1 1 1 1 1 2310 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0399 *116.0402* 116.0402@1.8384422 1 1 1 1 1 1 2864 1 1 1 1 1 1 1 1 1 2523 3351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7012 3321 1 1 1 1 7669 7591 1 1 3368 1 4579 8642 4366 6912 1 1 1 8183 1 1 1 1 4049 1 1 1 1 1 1 1 3061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4674 4894 116.0402 *116.0774* 116.0774@1.626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2010 1 1 1 1 1 1 1 1 1 1 116.0774 *116.0825* n-Hexanoic Acid 1 1060 1 1 1554 1616 1452 1029 1017 1546 1212 1262 1267 1209 1 1 2149 2667 1235 1439 1844 1856 1505 1434 1030 1 1 1 1 1400 1409 1396 1 1 1021 1 1274 1 1243 1 1 1528 1 1 1399 1216 1 1 1180 1063 1019 1 1 1354 1067 1127 1026 1127 1 1 3266 3384 1790 1753 1787 1800 2276 2255 3294 2731 1 1 1 1 1 1012 1813 1745 2707 2758 1461 1611 2018 1812 1052 1 1785 1536 1460 1860 C01585 116.0825 *116.0825* 116.0825@1.3672416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11757 10634 1 1 1 1 1 1 1 1 1 1 116.0825 *116.9275* 116.9275@0.90826046 2479 2659 2744 2507 2438 2557 2510 1840 2882 3083 2675 2881 1917 1779 2315 2444 3951 3986 3250 3196 3069 2979 1992 2219 2202 2324 2432 2155 2297 2379 2799 2659 1 1 1 1 1 1 1574 1990 2721 2594 1589 1820 2397 2528 1937 1857 1408 1351 1 1 1 1 1 1 1 1 1920 2227 2754 2608 1784 1852 1 1 1 1 3285 3254 2350 2233 1 1109 1 1130 1425 1481 41109 39173 1 1 1703 1902 1622 1569 1860 1916 1 1269 116.9275 *116.9507* 116.9507@1.9765004 4360 4075 7390 7794 6677 6830 6674 7014 4259 4167 9515 8936 3323 3289 3611 3687 3852 3771 4325 3684 5091 4663 3177 3456 6016 5618 10982 11383 3709 5195 5091 4502 3255 3052 4975 5172 3092 4080 4837 5380 3505 3558 3558 3492 4291 3744 7033 6366 4881 5312 4183 3380 2851 3080 5567 5633 5145 4880 4397 3692 5939 5463 6034 6352 5197 4952 14044 13235 6868 6625 3739 3860 6287 6331 3475 5015 3763 3704 4405 4151 4593 4586 4341 4469 6295 5702 6115 6375 2216 2117 116.9507 *117.0064* 117.0064@0.8290348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3577 3429 1 1 1 1 1 1 2256 2071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1579 1537 1 1098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1824 2089 1 1 1 1 1 1 1 1 1 1132 3332 3780 1705 1426 1 1 1845 1608 2923 2972 117.0064 *117.0357* 117.0357@2.064796 1 1 1 1634 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 1 1 2348 2045 1 1 1 1 1 1 1 1 1 1501 1 1 1 1 1743 1 1 1 1 1 1 1 1 1932 117.0357 *117.0376* 117.0376@2.0626347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 117.0376 *117.0417* 117.0417@2.0682268 1 1 1 1 11481 13168 1 1 1 1 1 1 1 1 1 1 1 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 3250 4004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3548 3778 1 1 1 1 1 1 1 1 1 1 18039 17888 1 1 1 1 1 1 1 1 1 1 117.0417 *117.0418* 117.0418@5.671204 1 1 1 1 1 1 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 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 1 1 1 1203 1240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1315 1171 1 1 117.0418 *117.042* 117.042@4.7009377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7027 6780 1 1 1 1 1 1 1 1 1 1 117.042 *117.0432* 117.0432@1.9628186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 14500 1 1 1 1 1 1 1 1 1 1 117.0432 *117.0461* 117.0461@1.6475468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8878 7699 1 1 1 1 1 1 1 1 1 1 117.0461 *117.076* 117.076@3.097 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 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 1 117.076 *117.0783* 117.0783@3.7626686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 16479 17170 1 1 1 1 1 1 1171 1 1 1 117.0783 *117.0783* Valine 1846 1811 2926 2807 2743 2839 3368 3737 2358 1989 4776 4589 1848 2049 2284 1 3211 2977 2962 3022 2227 2257 2287 1816 3315 3302 3316 2987 1 1450 2592 2443 1 2081 1530 2368 2149 1979 1698 1816 1 1991 3029 3278 2050 2300 3596 3045 1404 1434 3966 3904 3464 3597 3232 2880 2161 2004 1 1442 5514 5188 2717 2610 4396 4556 2030 2241 4060 4057 4673 5087 5525 5146 2498 2537 6247 6723 5319 4268 3192 3504 3409 3920 4873 4920 8636 8923 2491 2243 C00183 117.0783 *117.9349* 117.9349@1.6044629 4792 1 8066 6527 1 1 8581 6888 1 1 1 1 11104 8346 15005 13066 1 7243 1 4513 1 1 1 1 1 1 1 7391 1 4273 6407 5044 4441 1 1 5425 1 6743 6196 5767 6755 1 4833 1 4726 4946 1 1 3999 1 1 7179 1 6138 1 1 1 5282 1 5471 1 8081 5890 7278 7000 6774 7296 1 1 1 1 1 4774 7551 7878 9177 8030 4839 37255 37517 1 7000 1 1 7500 8497 6776 5530 1 5918 117.9349 *117.9349* 117.9349@0.82339567 1 1 1 1 1 1 1 1 1 4354 1 1 1 1 4255 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 4807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4072 1 5290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.9349 *117.9349* 117.9349@2.8762417 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 1 1 1 5260 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.9349 *117.9349* 117.9349@6.929635 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.9349 *117.935* 117.935@3.9165914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5379 1 1 4750 1 1 1 1 1 1 1 1 1 1 1 1 9868 1 1 1 4794 1 1 1 1 1 1 1 1 1 1 1 10159 1 1 1 1 1 1 1 1 1 1 1 1 5060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6186 1 1 1 1 1 1 1 1 117.935 *117.9351* 117.9351@1.3227063 9087 9049 1 1 10341 4696 1 1 12283 4668 10244 8728 12112 11428 5132 1 4111 9518 6717 2112 6856 7981 1 11072 3569 1 1 5066 7253 1 1 1 1 7544 6109 1 6966 1 7295 1 7412 1 6639 1 4154 6343 6599 4461 6030 1 2556 8541 1 7520 1 8009 4385 1 7686 6693 1 5896 5824 1 8866 7218 5823 6045 1 1 16817 1 4021 7474 1 6841 1 1 1 5000 1 3190 1 6939 5865 6207 1 1 1 1 117.9351 *117.9351* 117.9351@3.9516783 1 1 1 1 1 1 1 1 1 1 1 1 1 4590 1 6601 4622 1 1 6042 13880 4540 1 1 1 1 1 1 1 1 1 1 9445 1 1 1 5795 12165 3465 1 1 1 1 1 1 9394 1 1 7458 1 3612 1 1 2917 1 1 1 1 1 1 1 7432 1 1 6851 1 1 14058 1 1 1 6415 20849 14167 1 13294 8256 7663 5946 5409 1 3678 11950 3638 14056 1 1 7729 1 7115 117.9351 *117.9351* 117.9351@1.4591769 6341 1 1 9450 11419 7992 9874 1 9585 7369 9098 9776 9257 6759 1912 1 5174 8469 1 3273 1 9287 1 1 6154 1 1 6197 5689 1 7695 7374 10490 1 1 1 7214 1 1 4070 7415 1 1 1 6390 6541 1 1 1 1 6437 7414 1 4331 1 10799 1 1 1 1 1 6637 1 1 5269 4547 8296 1 1 1 1 1 4352 1 8156 9184 8812 7690 1 1 1 1 1 1 1 9961 1 6764 1 1 117.9351 *117.9352* 117.9352@6.558804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6849 1 1 1 1 1 1 1 1 1 1 1 3900 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 1 1 6739 1 1 117.9352 *117.9352* 117.9352@6.876523 9299 1 1 1 1 1 1 1 1 1 1 1 1 7282 16263 1 1 1 13167 1 1 1 1 1 1 1 1 1 1 1 1 1 10156 1 1 1 1 1 6110 1 17330 1 1 1 1 1 1 1 1 1 1 1 8864 17458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5682 1 1 9530 1 1 1 1 1 1 1 23371 1 1 1 21412 1 20105 117.9352 *117.9352* 117.9352@7.286965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4565 1 1 1 1 1 1 1 1 1 1 1 5000 1 1 117.9352 *117.9352* 117.9352@0.66475034 1 1 1 1 1 1 1 1 1 1 1 12369 1 1 9684 9904 9906 1 1 7742 1 11057 1 6228 1 1 1 1 1 1 7521 1 1 10588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6399 10873 1 1 1 1 1 1 11919 1 11035 1 1 1 1 1 1 8252 1 1 1 1 1 10876 1 1 1 1 1 1 10423 1 1 1 1 117.9352 *117.9352* 117.9352@1.3874296 6267 1 1 1 1 1 1 1 1 1 1 1 1 1 2914 1 1 1 1 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 3689 1 1 1 1 1 1 1 9383 1 1 1 1 1 1 1 1 1 1 1 5590 1 1 1 1 1 1 9303 1 1 5271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.9352 *117.9352* 117.9352@5.9441495 1 1 1 7905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3689 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 1 117.9352 *117.9352* 117.9352@1.1586941 1 1 1 1 1 1 1 1 1 3217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.9352 *117.9353* 117.9353@2.9296627 1 1 1 3429 1 1 1 1 1 1 1 1 1 1 4059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3977 1943 1 1 1 1 1 1 1 1 1 3983 1 1 9333 1 1 1 7777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8363 6230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.9353 *117.9354* 117.9354@1.9137199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5487 1 1 1 1 1 1 20240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8818 9406 1 1 1 1 1 1 1 1 1 1 117.9354 *117.9354* 117.9354@1.9731095 19572 18390 21695 25064 21139 23222 21683 20886 19489 18930 23465 21534 18069 17470 18019 15636 18577 17160 19084 19839 21153 4259 15557 17194 21842 19179 23535 25069 19905 18177 19100 16946 16826 15840 18629 18531 15727 17011 17072 17744 16563 16767 15524 16491 16345 16773 18597 20051 17487 19225 17034 18514 15719 16258 18802 21149 19554 20905 17868 13766 17369 17587 18045 18971 18377 18479 24194 23408 19527 17808 15320 15827 19044 19722 14951 17933 15673 19677 19223 18356 16766 15855 17618 16222 19534 17258 19433 17298 13716 13449 117.9354 *117.9354* 117.9354@6.8158946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5771 1 1 1 1 1 11087 1 1 1 1 1 1 1 1 1 1 1 1 1 8379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10802 1 1 11216 1 1 1 1 1 8753 1 1 1 1 1 4329 1 1 117.9354 *117.9904* 117.9904@6.8644323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3198 1 1 1 1 1 2318 1 1789 1535 1 1566 1534 1 3622 3607 1 1 1 1 117.9904 *118.0251* 118.0251@1.9695897 1 1 1 2329 3456 3575 1 1 5469 2557 1 1 2008 1 3103 1 2762 1 3343 5024 4162 1 1 1 1 5123 1 1 1 5100 4521 4754 1 1 1 3626 1 1 6195 1 1 6604 1 1 3144 1 4401 5419 1 1 1 1 1 1 1 1 1 5914 1 1 1 1 1 1 7030 1 1 1 1 7106 8952 1 1 1 1 1 11622 1 554096 531266 1 1 13321 1 1 1 1 1 8107 6244 118.0251 *118.0252* 118.0252@3.5525417 2345 1 3014 1 1 1 1 1 1 1 2027 2515 1 1 1 1 1 1 4386 3804 1 1 1 1 1968 1 1 1 1 1 4776 4002 1 1 2626 2728 2915 1 1 1 1 1 1 1 3100 3714 1690 1690 1 1 1 1 1 1 1 1 2938 3707 1 1 1 1 1 1 1 1 1 1 2235 4063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.0252 *118.0254* 118.0254@3.149145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 118.0254 *118.0266* Erythrono-1,4-lactone 1117 2664 4122 3808 3514 2729 2457 1 3276 1996 3548 3790 2843 3355 2786 2990 3067 2837 2740 3890 4047 4421 3729 3092 3978 4362 5297 4760 3950 4338 3962 2679 3188 2716 3252 2240 3379 2706 6084 5273 6720 7241 2535 2961 3896 3523 1647 1735 1 1979 6483 6697 7647 7027 7596 7825 5042 4011 5944 5174 7158 7503 5725 5630 6663 6499 6908 7189 5935 5055 6615 6795 6654 6321 9538 8903 11421 9007 429509 425653 9488 9183 10653 11265 9840 8353 5965 6204 8037 7773 HMDB00349 118.0266 *118.0266* 118.0266@2.3489163 2015 1 3295 4264 1 1 1 1 2037 1537 3172 1 2203 1 1 1 1 1 2378 1977 1 1 1 2212 1 1 6576 5910 1 1 2970 2064 3656 2992 1 1 1 1 5888 5781 1 1 1 3641 1 2516 1 1 1 1 1 1 1 1 1 1 2505 1 1 1 1 1 1 1 1 1 1 1 3775 2057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.0266 *118.0276* 118.0276@2.051 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9120 1 1 1 1 1 1 1 1 1 1 118.0276 *118.0469* 118.0469@1.759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 118.0469 *118.0477* 118.0477@1.6480446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36822 36970 1 1 1 1 1 1 1 1 1 1 118.0477 *118.0553* 118.0553@1.8976784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4152 1 1 1 4696 1 1 1 1 1 118.0553 *118.0593* C4 H10 N2 S 1899 2256 3446 4384 3569 4821 4703 5511 3629 3240 4559 4951 2846 2873 2506 2866 2876 3265 5143 4427 3528 3928 6527 5265 4955 4212 8270 7658 4092 4980 3592 3813 2966 2720 3405 3543 4620 4385 4938 5781 3912 3646 4101 3322 3676 3260 4779 4590 6108 5642 2992 2382 2720 1 6162 5268 3957 4166 4921 4856 6710 6988 5696 5326 4055 3471 5687 6609 4280 3997 2776 2155 5035 5675 1 3275 4018 3483 1 1 1970 3340 4858 3005 3473 3364 4490 4962 3301 3997 118.0593 *118.0597* 118.0597@2.4609425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 118.0597 *118.0607* 118.0607@1.6395894 1505 1 1 1 1943 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 2804 1 1 1 1 1 1 1 1 1221 1 1 9139 1 1 2345 1 1 1 1 1 3271 1 2114 1 1 1 1 1 1 2115 1 1 1 1 1 1 1 1 1 1 2592 3222 1 1 3104 1 1 1 1 1 1 1 1 1 1 1 1 1 118.0607 *118.062* 118.062@4.038648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 118.062 *118.0621* 118.0621@2.6039388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2671 1 1209 1 1 1 1 1 1 1361 1 1 1 1 118.0621 *118.0622* a-hydroxyisovalerate 21008 20253 23089 24524 26883 26016 38727 34945 39830 36584 37348 35293 26325 27715 30068 29585 27947 28184 33197 33639 35448 33505 32623 34304 26608 27302 31696 14138 22789 23596 32327 32691 37103 36849 28106 27870 16825 18591 29894 32998 24849 25504 34277 34543 29864 30343 31759 33025 29853 29696 28542 30339 33276 33163 26361 26712 26190 28530 43467 41663 43007 40133 24432 24541 38472 36037 34285 35314 29917 16547 27711 25874 25829 26026 33127 38031 33602 34414 38138 31774 39410 39737 31107 32216 25722 25020 42979 45311 20864 24000 118.0622 *118.0622* a-hydroxyisovalerate - 2.912282 15216 1 6709 12668 1 29731 13936 1 1 15115 14552 1 13207 5357 1 18710 7668 43950 1 1 37422 37133 1 61242 1 1 17136 1 1 1 1 1 7574 7643 4997 27141 1 1 2920 51010 6534 11785 1 1 1 1 9642 1 14643 2447 5394 3192 25029 9095 2959 1541 1 34923 42302 7809 87304 22187 1 1 1320 26792 28932 1649 7854 1 20310 3848 15323 15313 1 20793 24437 24370 5279 5043 17845 17104 18492 16236 14519 1788 14360 7129 3511 28004 118.0622 *118.0622* 118.0622@3.0596192 4322 1 1 1 1 1 16567 1 1 1 1 1 1 5930 1 5338 42123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8229 1 11080 1 1 1 53389 1 1 1 1 1 1 1 28304 1 12574 1 19634 23734 1 14445 1 1 1602 1 1 10371 1 88110 1 1 5133 1 1 29734 1 1 1 1417 1 1 1 1 1 1 1 1 3076 1 1 1 2388 17112 1 1 1 1 118.0622 *118.0624* 3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid 53512 51792 86560 89105 131914 134542 204264 197499 97548 94646 95662 95490 79412 80180 81136 82632 66819 67248 75528 73316 55375 54718 177544 174846 79131 76049 78011 75901 93694 91480 106524 108912 91860 92342 118723 122162 130813 132531 100134 102183 102102 106940 131973 124355 109139 109376 119017 118342 92343 90879 78621 77419 123671 123747 147770 143264 67104 70673 123748 119948 123606 121191 85229 84830 63458 62244 97872 103246 82248 79529 104598 99050 129768 129264 89062 88626 144309 141474 139013 139528 112537 111553 126163 125973 124478 122770 123858 127702 119337 118864 HMDB00351 118.0624 *118.0624* 118.0624@3.1967509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.0624 *118.1176* 118.1176@1.8928689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10500 10159 1 1 1 1 1 1 1 1 1 1 118.1176 *118.1179* 118.1179@1.9538267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13063 12371 1 1 1 1 1 1 1 1 1 1 118.1179 *118.1539* 118.1539@1.893369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2732 1 1 1 1 1 1 1 1 1 1 118.1539 *118.154* 118.154@1.5000334 1 1 1 1 1711 1363 2887 2867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2560 2549 1 1 1 1 1 1 1 1 1 1 1507 1322 1578 1475 1 1 1398 1 1 1315 1 1 1476 1363 1 1 1 1 1624 1 1414 1 1 1 1 1535 1695 1554 1 1 1 1 1 1 1 1 1 1 1229 1792 1 1 1744 1 1661 1598 1195 1 1457 1478 1783 1522 1699 1229 1583 1243 118.154 *118.1542* 118.1542@1.9523265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3633 2769 1 1 1 1 1 1 1 1 1 1 118.1542 *118.935* 118.935@1.5273528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.935 *118.9352* 118.9352@6.8149147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 118.9352 *118.9355* 118.9355@6.8402915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1347 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 1 118.9355 *118.9364* 118.9364@7.5193725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 118.9364 *118.9369* 118.9369@3.9263237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 118.9369 *119.0111* 119.0111@1.7305244 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 119.0111 *119.0114* 119.0114@3.0237129 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3064 2939 1 1 5938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3879 1 2539 1 3271 1 3295 1 1 1 12934 1 1 1 1 1 6677 1 1 119.0114 *119.0115* 119.0115@0.7899482 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6642 1 6160 2033 1 1 1 1 1 1 1 1 1 1 1 2950 1 1 119.0115 *119.0115* 119.0115@0.95500433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4553 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 5667 1 1 119.0115 *119.0115* 119.0115@1.3738645 1 1 1 1 1 1 1 1 1 1 1 1 1 2039 3142 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 1590 1 1 1 1 1 1 1 1 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 3297 1 1 119.0115 *119.0115* 119.0115@2.8883438 1 1 1 1 1 1 1 1 1 5061 1 1 3169 1 1 1 1 1 1 1 1 9044 1 1 1 1 1 1 1 1 1 1 3428 1 1 5964 1 1 1 3598 3989 1 10114 1 1 1 1 1 1 8417 1 3594 1 1 1 4889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2409 2927 1 7086 1 1 1 1 1 1 1 1 1 1 1 7565 11861 1 119.0115 *119.0116* 119.0116@0.6465815 1 1 1 7223 1 1 1 1 1 1 1 1 1 3610 5937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8048 1 1 1 1 1 1 1 1 1 1 8490 8987 4865 1 11137 4552 1 1 1 1 1 1 1 1 11046 1 1 1708 1 1 119.0116 *119.0116* 119.0116@1.4873905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 119.0116 *119.0118* 119.0118@1.1330327 1 1 1 1 1 1 1 1 1 1 1 1 1 2606 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4083 1 1 119.0118 *119.0119* 119.0119@2.1169562 1 1 1 1 1 1 1 1 1 1 1 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 2587 1 1 1 22431 1 1 1 1 1 1 1 1 1 1 119.0119 *119.012* 119.012@10.085718 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 119.012 *119.0464* 119.0464@3.88383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19889 19263 1 1 1 1 1 1 1 1 1 1 119.0464 *119.0556* 119.0556@6.4552236 1 1 1 1 1 1 1 1 1 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 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 1191 1 1 1 1 1 1390 1 1 119.0556 *119.0563* 119.0563@6.4027386 1 1 1 1 1 1 1 1 1 2103 5199 1404 1 1 1 2493 1 1 1 1 1 1 1 1 1 1683 1892 1 1 1 2047 1 1 1 1 1 1 1 2280 1 2066 1 1 1 1 1 1 1 1 1 4795 4703 2044 4309 1 1 1650 1 1 1 4593 4133 2361 2274 3504 2395 1 1973 1640 3504 7534 1 1 1 1 1 6241 5534 8044 7903 6178 3678 3984 4682 9378 8928 7932 8159 2982 1 119.0563 *119.061* 119.061@1.3387251 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 1 1 1 1 1 1 1 1 1 1 1 1040 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 1 119.061 *119.0627* 119.0627@2.9341536 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 1 1 1 119.0627 *119.0628* 119.0628@3.0784156 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 119.0628 *119.0687* 119.0687@2.1195087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 119.0687 *119.9337* 119.9337@6.413495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 119.9337 *120.0436* Purine 435997 1 739621 702028 871525 810679 1 1 866200 850289 415369 1 880339 773297 556457 1 354379 1 925116 392076 108209 815480 860641 1009838 950015 898726 1 1 1 734929 954594 868974 364489 394656 477922 1 1 428531 882251 375237 1 1 907744 549609 1 1 1923891 1 424265 310377 397686 1 779107 663930 1 1 348937 1 1 1279994 1 1 1 1055261 1 1 1 1 1 373594 331928 1 362906 1 1 559430 1 1 1 1346908 1819921 1 478285 1 1 1 1 554532 1 461272 HMDB01366 C00465 120.0436 *120.0436* 120.0436@1.6153927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178632 1 1 1292201 1431678 1 1 1 1 1 1 1 100430 1 1 120.0436 *120.0436* Purine - 1.994147 1560396 1667413 1290868 1343105 1334115 1811821 1987291 1949124 1783642 1677535 1977168 2074181 1580957 1545619 1526253 1536316 1817279 1871997 1739234 1213739 1695618 1923868 1716351 1714707 2011938 2006483 1317233 1600708 2015441 1945313 1921054 1821316 367713 948118 2029180 2081696 1738520 1829417 1758589 1753645 1797301 1888107 1923455 1782387 1786505 1882877 2157369 2170174 2170803 2222243 2006276 1991968 1830406 1770052 1405640 2163790 2064075 2046771 2019413 1993433 2028634 2122524 2282305 2352188 2030823 2080036 2092503 1481585 2173778 2191571 1909717 1984421 2283374 2436493 2059228 2170064 2082320 2065203 2167198 2137525 2158584 2078413 2203909 2292402 2314999 1306407 2284437 1673791 1906611 1944766 HMDB01366 C00465 120.0436 *120.0436* 120.0436@0.6453326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276125 1 1 1 1 1 1 1 1 1 1 2474445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2221831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2185685 1 1 1 1 1 1 1 1 1 1 1 1943974 1 1 120.0436 *120.0436* 120.0436@0.96384865 326313 1 1 1 1 1 1 1 1 1 1 1 1 1 903717 1 1 1 1 880305 338604 1 1 862965 1 1 1 1 1 1 1 1 363172 1 1 1 1 1 382272 1 1 1 1 964478 1 1 1 1 1 422508 1 1 347888 348211 1 1 374408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 393640 1 1 414181 1 1 1 1 1 1 1 1 1 1 1 362921 1 1 120.0436 *120.0436* 120.0436@1.168936 1 1 1 1 1 1 1 1 1 1 1 1 1 87095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172589 1 1 234335 1 1 1 1 1 1 1 1 1 1 1 155312 1 1 120.0436 *120.0436* 120.0436@1.2968733 465387 1 1 1 1 1 1 1 1 1 1 1 1 666652 1 1 1 1 1 311379 1 1 1 1 1 1 1 1 1 1 1 1 567675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 736428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 633132 1 1 461628 1 1 1 1 1 1 1 1 1 1 1 623149 1 1 120.0436 *120.0436* 120.0436@1.4524457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152903 1 1 1 1 1 1 1 1 1 1 1 162699 1 1 120.0436 *120.0436* 120.0436@1.7188383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343188 1 1 120.0436 *120.0436* 120.0436@1.9346106 1 1 558364 1 514749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 465214 1 1 1 1 1 1 1 624010 1 1 1 1 1 1 1 1 1 1 139728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1009514 1 123382 1 1 120.0436 *120.0436* 120.0436@2.0598567 1 1 1 547683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198712 1 1 1 1 1 847986 1 1 1 1 1 1395572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 720799 1 1 1 1 1 1 1 1 1 1 1 686103 1205828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 700589 1 1 120.0436 *120.0436* 120.0436@3.1435008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108913 1 1 282083 1 1 1 1 1 1 1 1 1 1 1 316294 1 1 120.0436 *120.0436* 120.0436@4.126383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152849 1 1 120.0436 *120.0436* 120.0436@5.656982 961722 1 1 1 1 1 1 1 1 1 1 1 1 339752 1 1 1 1 1 1 228428 1 1 1 1 1 1 1 1 1 1 1 243109 1 1 1 1 1 187160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147076 1 1 120.0436 *120.0436* 120.0436@5.751619 1 1 1 1 1 1 1 1 1 1 1 1 1 262847 1 1 1 1 1 1 157371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181573 1 1 120.0436 *120.0436* 120.0436@5.8557754 202975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185381 1 1 120.0436 *120.0436* 120.0436@3.0212808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0437* 120.0437@1.0174865 1 1 1 1 1 1 1 1 1 1 1 1 1 869199 1 1 1 1 1 1 838542 1 1 1 1 1 1730737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1164693 1 1 1 1 1 1 1 1 1077933 1 1 373640 1 1 120.0437 *120.0437* Purine - 1.0687234 567613 936784 624824 659195 944956 885856 712200 803740 751265 721145 1165561 1 843057 815630 1 823178 1020804 1 1 713077 706506 1 770347 789398 770423 632951 1 1173655 974273 1004699 758177 577675 768808 783528 916488 1191770 712956 1 897471 1 842264 784775 726380 779261 1 749932 1250960 710620 862554 1 1070595 920375 847988 1061840 1331456 1379614 1253323 1 1053949 1029860 1310017 1380633 1192823 1 1142076 772475 1411084 1263651 1 1361279 1217651 1 1221566 861006 1 1 1424543 1 1 1 1593740 1 1132770 1161915 1 1 1348863 1063432 1792511 1177002 HMDB01366 C00465 120.0437 *120.1339* 120.1339@2.0598645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1339 *120.1344* 120.1344@1.2419808 1 1 1 1 1 1 1 1 1 1 1 1 1 7027 1 1 1 1 1 15391 5116 1 1 1 1 1 1 1 1 1 1 1 27514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8209 1 1 21880 1 1 1 1 1 1 1 1 1 1 1 30758 1 1 120.1344 *120.1344* 120.1344@1.9229206 1 1 1 1 1 50361 1 1 1 1 1 1 1 16452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34430 1 1 1 1 1 1 1 1 22160 1 1 1 1 1 1 1 4472 1 1 6184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1344 *120.1345* 120.1345@0.9736232 1 16971 1 34615 1 1 1 1 1 44300 1 1 1 41837 1 48103 1 18066 1 44844 43674 1 25838 1 50628 1 1 18253 36579 1 1 1 21564 1 23884 1 19727 1 1 1 1 1 1 1 18514 1 1 1 1 22836 1 1 19498 19015 18585 18211 18736 19812 23383 20423 1 1 17122 19271 1 22137 19815 68272 1 18787 15825 22016 21357 20550 1 24110 1 1 1 1 23156 18094 17437 17898 1 20400 1 17329 21072 23857 120.1345 *120.1345* 120.1345@2.985594 1 1 1 1 1 1 1 1 1 1 1 1 1 35281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32243 1 1 1 1 1 8965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16729 17330 1 30420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1345 *120.1345* 120.1345@3.0664444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1345 *120.1346* C4 H16 N4 15773 36341 36368 24239 19215 42236 1 40978 1 38203 18364 81289 1 36499 43758 41688 50516 68954 1 43384 37518 44715 38663 51273 36141 45877 89507 62134 49050 44123 47452 44046 58328 35890 52639 41758 24108 22026 1 20576 44604 1 1 1 45860 18559 22484 17871 20861 46637 42939 21523 41648 54005 61171 60972 66407 64090 51142 79190 1 21309 60084 63042 1 21605 66592 18887 20473 67940 65839 69173 68083 23625 62132 63484 18469 21958 75212 89889 73867 52074 57064 61072 21405 41772 19911 21077 62062 63426 120.1346 *120.1346* 120.1346@5.645818 1 1 1 1 1 1 1 33065 1 1 32487 1 1 14894 13260 25483 1 33149 1 1 1 1 1 1 1 1 30347 1 1 1 1 1 15309 1 1 1 1 1 8910 1 1 1 1 1 1 1 1 31340 1 20747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6721 1 1 120.1346 *120.1346* 120.1346@1.2941325 1 1 1 1 1 1 1 1 1 1 1 1 1 32659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1346 *120.1352* 120.1352@5.853296 13193 1 1 1 1 1 1 1 1 1 1 1 1 8450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9259 1 1 120.1352 *120.1355* 120.1355@0.65381825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99244 1 1 110238 1 1 1 1 1 1 1 1 1 1 1 91012 1 1 1 1 1 112628 53489 1 97529 96019 1 1 1 106368 1 1 1 1 1 1 1 1 89781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60615 1 1 1 1 1 1 1 1 71038 1 1 104049 158723 1 120.1355 *120.1357* 120.1357@1.0723865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1357 *120.1358* 120.1358@1.6465194 1 1 1 1 1 1 1 1 1 1 1 1 1 6674 1 1 1 1 1 1 6678 1 1 1 1 1 1 1 1 1 1 1 18590 1 1 1 1 1 7848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2923 1 1 89533 83232 1 1 1 1 1 1 1 13798 1 1 120.1358 *120.1358* 120.1358@0.8514714 19255 1 1 1 1 1 1 1 1 1 1 1 1 1 6883 1 1 1 1 1 19089 1 1 1 1 1 1 1 1 1 1 1 15701 1 1 1 1 1 40317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31060 1 1 32140 1 1 16541 1 1 1 1 1 1 18516 1 27522 1 1 120.1358 *120.1358* 120.1358@1.3954483 1 1 1 1 1 1 1 1 1 1 1 1 1 6346 1 1 1 1 1 1 26487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30004 1 1 5410 1 1 1 1 1 1 1 1 1 1 1 7428 1 1 120.1358 *120.1359* 120.1359@5.7517304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10950 1 1 120.1359 *120.95* 120.95@1.3302999 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 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 120.95 *120.9509* 120.9509@0.6796196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3414 1 1 1 1 1 1 4260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.9509 *120.9512* 120.9512@0.9502962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2095 1415 1 1 1 1 1 1 1 1 1 1 1 1 1318 1 1 1 1128 1 1 1408 1 1 1 1 1 1 1180 1084 1 1 1068 2344 120.9512 *120.991* 120.991@1.3920726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.991 *121.0444* 121.0444@1.9849787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144044 1 1 1 1 1 1 111182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47690 1 1 1 1 1 1 1 1 1 1 121.0444 *121.0451* 121.0451@2.054971 1 1 1 1 1 1 1 1 1 1 63426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36764 1 26415 1 1 1 1 1 1 37767 1 1 72001 1 1 1 1 1 1 79653 1 1 1 1 1 1 51766 1 1 1 121.0451 *121.0452* 121.0452@0.70118725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134393 1 1 1 1 1 15151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38867 1 1 1 1 114211 1 1 1 96133 1 1 1 1 1 1 1 1 1 1 1 121.0452 *121.0452* 121.0452@1.2723426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0452 *121.0452* 121.0452@1.3494077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0452 *121.0452* 121.0452@1.0089296 24966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23489 1 1 1 1 1 1 1 26419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27864 83935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61750 1 121.0452 *121.0453* 121.0453@3.9768548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29128 1 1 1 1 1 1 1 1 1 1 1 22604 1 1 121.0453 *121.0453* 121.0453@3.1346052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 *121.0453* 121.0453@1.6780328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0453 *121.0454* 121.0454@2.9485867 27467 1 1 1 1 1 1 1 1 1 1 1 1 47744 1 1 1 1 1 42621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78269 24462 1 12957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0454 *121.0454* 121.0454@5.562642 73947 1 53094 1 1 1 1 1 1 67250 1 1 1 1 1 1 1 64281 1 1 1 1 1 1 50875 1 1 1 1 28402 73020 1 22121 83047 1 1 1 1 1 1 1 1 1 1 1 83651 1 1 1 69259 1 86941 1 39866 1 1 1 1 37853 1 1 1 1 1 1 1 1 78783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49255 1 1 1 1 121.0454 *121.0456* 121.0456@5.6156826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0456 *121.1359* 121.1359@2.0027409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.1359 *121.1361* 121.1361@12.997994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 121.1361 *121.1368* 121.1368@1.9823699 3319 1 1 1 1 1 1 2218 1 1 1283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2234 1 1 1 1 1 1 1 3524 1 1 1 1 1697 1 1 1 1 1 1 1 1821 1 2148 1390 1 1 1 2246 1819 1 1 1 1 1 1 3572 1 1 2842 1 1 1 1223 1 1 1 1606 1 1 1 1 1 1 1 1837 1 1 1 1 1 1 1 1 121.1368 *121.1374* 121.1374@0.6705666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 121.1374 *121.1375* 121.1375@11.75067 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 1299 1 1 1 1026 1316 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 1508 1 1 1364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1426 1 1 1203 1439 1 121.1375 *121.1376* 121.1376@10.872322 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 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 1 121.1376 *121.1393* 121.1393@10.018911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 121.1393 *121.9899* 121.9899@2.129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 121.9899 *122.0369* 122.0369@1.085226 1 1 1 1 1 1 1 1 1 1 1 21123 1 1 22779 1 1 23651 21900 19194 66852 67706 1 1 1 1 18402 1 1 1 1 1 1 1 13431 20910 1 30047 1 21225 1 1 1 1 21740 1 1 1 1 18917 1 1 1 26828 1 1 1 19912 1 1 1 1 1 20382 24032 1 1 22200 27587 1 1 18448 1 1 19489 20204 1 19587 40813 41921 1 38447 1 1 1 20644 1 1 1 1 122.0369 *122.0409* 122.0409@1.4481591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 122.0409 *122.0414* 122.0414@1.0812498 1 3208 1078 1 1 1 1 1 1 1 1 1 1 1 1 1 1066 1 1 1 1 4145 2146 1 1 1 1 1 1703 1 1 1 1 1 1 14096 1 1 4215 1 1 1 1 1 2357 1 1 1 1 1 1 1 1 1 3430 3379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9645 10336 1 1 1 1 2503 1 1 1 1 1 122.0414 *122.0416* 122.0416@1.0062935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 122.0416 *122.0426* 122.0426@1.0629796 1 1 2641 1 1 1 1 3027 2345 1 1 4234 1 1 1 1 1 1462 2186 1 1 1 1 1 3150 1 1 1 1 1609 1 1 2586 1 1 1 1 1 1 1 1 1 1 1 1 1 3285 3258 1 1 1 1 1 1 1 1 3143 2807 1556 4504 3508 1 3255 1 1 1 3189 1893 2955 1 1 1526 3049 2470 4024 4246 1 1 1 1 3444 1 2725 1 2836 1 2015 1 1 3324 122.0426 *122.0434* 122.0434@0.6442603 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0434 *122.044* 122.044@2.0393333 1 2080 2319 1655 1 1 1 1 1 1 1 1 1 1 1898 1 1 1 3774 1 1 1419 1 6349 1 2990 2952 1 1 1 1 1 5383 4137 1 2235 1 1 1823 1 1 7213 1 1 1 1 1 1 1 1 2571 2703 1 1771 1 1 1 1 1 1 1 1 1 2049 1 1987 1 1 1 1 1 1 1 1 1 2654 1 1 2147 1 1 1 1 3831 1 2074 1 1 3013 1 122.044 *122.0441* 122.0441@1.7087886 1 1 1 1 1 1 1 1 1 1 1 1 1358 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 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 1 1 1612 1 1 1027 1 1 1 1 1 1 122.0441 *122.0442* 122.0442@0.69739324 4259 1 1 1 1 1 1 1 1 1 1 2897 1 1452 3158 1 1514 1 1 1 1 1 1769 5099 1 1 1 3938 1 1 1 1 1 1522 1 1 1 1 1616 1 1 1 1 1449 1 1 1 1 1 1 1 4139 2113 2365 1 1 1 1 2689 2294 1 1 1 1 2121 1 2162 4236 2179 1 2885 1 1 1 1 1 1 3220 1 1 1 1 2429 1 1 1 1490 1 1 1 122.0442 *122.0478* 122.0478@1.9644554 1 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 5772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3846 4842 1 1 1 1 1 1 3281 1 1 1 1 1 5979 1 1 1 1 1 1 1 5352 8585 1 1 8465 5791 1 8232 1 4438 5044 5976 1 1 1 1 1 122.0478 *122.0648* 122.0648@1.0544493 1 1 1 1 3169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0648 *123.0068* 123.0068@1.5369713 1 1 1 1 1 1 1 1 1 1 1 1 1 1574 2647 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 1 2920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1946 1 1 4299 1 1 1 1 1 1 1 1 1 1 1 4938 1 1 123.0068 *123.0068* 123.0068@2.9639947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 123.0068 *123.0069* 123.0069@2.0781853 1 1 1 1 1 1 1 1 1 1 1 1 1 2633 2769 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 5449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0069 *123.007* 123.007@2.9358199 1 2766 1 1 8413 1 3140 1 1 1 1 5017 1 3005 1 1 1 1 1 1 1 1 11117 5603 2456 1 1 1 4350 1 1934 1 1 1 1 1 5312 1 1 1 1 1 1 2670 1 1 1 1 1 1 1 1 1 1 1 1 8991 1 1 1 1 1 6354 1 1 1 1 1 10771 5582 1 1 1 10826 1 7624 1 1 1 12880 1 1 1 1 1 10621 1 4951 1 1 123.007 *123.007* 123.007@0.8212024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6034 1 1 123.007 *123.0071* 123.0071@0.6505223 1 1 1 1 6032 1 1 7578 1 1 1 1 1 7002 3103 3376 1 1 1 1 1 1 1 4040 1 1 1 1 3415 1 1 1 1 1 4123 1 1 1 1 1 1 1 1 4928 1 1 1 1 1 1 7522 11465 1 1 1 4448 1 1 1 1 1 1 1 5714 1 1 7000 7758 1 1 7879 1 3403 1 6032 5615 8549 10084 1 1 1 7113 1 1 1 1 1 3177 6693 1 123.0071 *123.0072* 123.0072@1.1730174 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0072 *123.0073* 123.0073@3.4669423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5895 1 1 1 1 1 1 1 1 1 1 1 1 1697 1 1 1 1 1 1 1 1 1 123.0073 *123.0074* 123.0074@1.615888 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0074 *123.0075* 123.0075@0.92561245 1 1 1 1 1 1 1 1 1 1 1 1 1 4142 2025 1 1 1 1 4107 1 1 1 1 1 1 1 1 1 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 1746 1 1 123.0075 *123.0085* 123.0085@1.3408107 1 1 1 1 1 1 1 1 1 1 1 1 1 2550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0085 *123.0358* 123.0358@1.3182236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 123.0358 *123.0668* 123.0668@1.1958855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4616 4096 1 1 1 1 1 1 1 1 1 1 1 1 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 1512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0668 *123.9835* C5 H Cl N2 1 1 1040 1 1 1 1290 1376 1 1512 1348 1832 1623 1206 1781 1 1879 1 1664 1897 1 1 2231 1482 1 1 1 1 1 1 1378 1804 1 1143 1289 1813 1 2422 2201 1897 1573 1133 1625 1601 1419 1 1166 1162 1039 1 1 2215 2262 2201 2391 1705 1 1 2400 1 2560 2793 2439 2004 1584 1007 1 1495 1047 1260 3176 3031 1 1 1760 1617 2412 2374 2988 1 2714 2070 1802 1634 3507 3222 1634 1037 3184 2522 123.9835 *124.0261* 124.0261@0.72406626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1571 1 1 1 1 1 1 1 1 1 1 3522 1 1 1 1 1 1 124.0261 *124.0262* 124.0262@2.0502057 6708 1 1 7619 1 1 4349 1 9209 1 5010 5712 6187 5449 4622 1 9597 5439 1 5923 4793 6111 6738 1 1 6459 1 7130 1 6502 1 1 8540 1 1 6719 1 13628 1 1 1 6780 5649 6450 1 1 1 1 7076 5739 1 7617 14126 1 3644 1 1 1 1 1 1 1 1 1 8044 8434 6549 4159 1 1 1 1 8856 1 7204 6164 1 9203 3797 1 1 6354 1 1 1 1 7913 5480 12146 7753 124.0262 *124.0263* 124.0263@1.9538534 4925 1 1 1 1 1 1 1 3295 1 1 1 1 8363 1 1 3557 1 1 1 1 1 3723 1 1 1 1 1 1 5810 1 1 1 1 1 1 1 1 1 1 1 6948 1 1 1 1 1 1 5147 7348 1 1 3565 1 1 1 1 1 1 1 1 1 1 1 1 4572 1 1 1 1 1 1 6273 1 1 1693 1 4896 1 1 1 1 1 1 1 1 1 1 1 1 124.0263 *124.0263* 124.0263@0.97320807 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0263 *124.0264* 124.0264@0.65972865 1 1 1 11807 1 4597 1 5176 1 1 1 1 1 8658 4124 5196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8157 1 1 1 1 3937 6785 4402 1 1 1 1 1 4253 1 1 1 1 1 3273 8934 8267 1 1 9233 1 2880 1 1 1 1 8001 1 1 4000 1 4076 11051 1 1 1 3526 11739 1 1 7183 8515 1 1 1 1 1 1 3271 1 1 1 8891 1 15093 124.0264 *124.0264* 124.0264@1.2838781 1 1 1 1 1 1 1 1 1 1 1 1 1 2467 1 1 3121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4170 1 1 1 1 1 5066 1 1 1 1 1 1 1 1 1 1 1 1 1 9730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10219 1 1 1592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0264 *124.0264* 124.0264@2.941665 7317 1 3067 1 1 1 1 1 1 1 4338 1 1 5198 1 1 1 2574 1 1 3434 1 1 2185 1 1 1 1 1 1 1 1 2083 1 1 1 1 1 1 1 1 1 1 1 10490 1 1 1 1 1 1 1 10345 1 4532 1 1 1 1 9695 1 1 1 3723 1 1 1 1 1 1 1 1 5182 5603 1 1 1 1 1 1 1 7058 1 1 1 6164 1 1 1 1 124.0264 *124.0264* 124.0264@1.4483366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 124.0264 *124.0265* 124.0265@0.93961877 1 1 1 1 1 1 1 1 1 1 1 1 1 1905 1 1 1 1 1 1375 1897 1 1 1 1 1 1 1 1 1 1 1 3205 1 1 1 1 3733 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 2631 1 1 1 1 1 1 1 5904 1 1 1810 1 1 1 1 1 1 1 1 1 1 1 1 1 2249 124.0265 *124.0265* 124.0265@1.086957 1 1 1 1 2590 3888 1 1 1 1 1 2900 1 2803 1 1 1 1 1 4705 1 1 1 1 1 1 1 1 4673 4240 1 1 1 1 3774 1 1 1 1 4799 1 1 1 1 1 2974 1 1 1 3109 1 1 4730 4728 5973 1 1 1 1 1 1 1 4620 1 1 1 1 1 1 1 1 1 4327 1 1 1 1 1 1 1 9457 7165 1 1 1 1 1 1 1 1 124.0265 *124.0265* 124.0265@1.3679583 1 1 1 1 1 1 1 1 1 1 1 1 1 8320 1 1 1 1 1 3022 1 1 1 1 1 1 1 1 1 1 1 1 2492 1 1 1 1 9288 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0265 *124.0265* 124.0265@2.8696673 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0265 *124.0266* 124.0266@1.6383392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 124.0266 *124.0267* Pyrazinoic acid 1 4690 1 6008 1 6231 3484 1844 1 1 1 1 1 5041 5332 4475 1 1 1 3409 4380 1 1 7236 9113 1 6155 2332 1 1 4905 1 4822 9131 5648 2002 5904 6067 4308 4888 2450 8151 1 2181 1 1 6374 5182 5452 4615 2200 6504 3396 3578 4759 15535 4966 1 10367 6561 4789 8217 3830 5663 4271 1 5173 6018 5856 3653 10229 6140 4690 1 5695 2612 6247 15346 1 8765 8975 9229 1 5670 4314 1 5934 6520 3020 4494 124.0267 *124.0431* 124.0431@1.1026218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2505 124.0431 *124.0499* 124.0499@1.1033028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7088 7253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6681 6654 8038 7150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15589 20917 4990 6156 1 1 1 1 1 1 124.0499 *124.908* 124.908@2.021473 1 1 1 1 2587 1 1 3593 1 1 1 1 1 1 1433 1 1 1 1 1 1 1 1 1006 1 1 1 1 2632 3501 1 1 1 1 1 1 1 1 4321 1 1 1 1 1 2916 1613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2237 1 2681 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 1 124.908 *124.9082* 124.9082@1.0875803 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 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 1267 1 1 1 1 1 1 1 124.9082 *124.9083* 124.9083@2.0505314 1 6728 1 1 2711 1 1986 2302 1 1 1 2227 1 3488 2197 1 3094 1475 6682 6877 7621 1 3295 1594 1993 1 1 1 3613 3155 1927 1530 1 2479 1 2620 1 1 1564 5579 6615 1 6540 6305 1870 4995 1 1 1 1 4436 5201 1 1 4299 1 2075 6157 1569 6429 4659 4166 1 3163 5126 4268 1312 1 1 4108 1 1 2608 1 5916 1 3686 2213 5902 3107 4164 1 6417 1 1 5181 1 4301 4111 1 124.9083 *124.9088* 124.9088@2.7955797 2758 2388 1 2269 2003 1957 1 1 1 2795 4079 2733 1212 1 1 1 1 1 2848 2912 2105 1 1 2767 1 1 3391 3558 1 1 2879 2306 3182 3255 1 1884 1 1795 2402 2573 1 1621 2025 2765 1869 1 1 1 1 1389 1652 1473 1065 1 1 1 1 1117 1 1 1 1 1 1 1 1 1 1 1479 1197 1 1492 1 1 1 1 1 1472 1 1 1352 1461 1238 1 1414 1840 1459 1395 1 1047 124.9088 *125.0153* Taurine 1215 1 1324 1 1 1 2035 1577 1778 2193 1978 2171 2336 2916 1820 1605 2451 2447 2118 2089 1576 1625 1967 2174 1848 1 1856 1348 1 1 2164 2190 1486 1439 2216 1808 1698 1636 2703 2786 2047 2047 1 1633 1620 2125 1660 1512 1505 1935 4205 3918 2078 2540 1922 2275 1403 1581 1 1 4240 4370 1751 2083 2103 1932 1910 2094 2435 2629 4842 3332 1 1695 1793 1578 4064 5023 5044 5194 3715 3297 3067 2548 5152 4834 3264 3175 3214 3541 HMDB00251 C00245 125.0153 *125.0166* 125.0166@1.6790679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 125.0166 *125.0178* 125.0178@5.2923937 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 1 1 1 1 1 1 1 1 125.0178 *125.0207* 125.0207@2.0773165 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 125.0207 *125.0211* 125.0211@3.5166981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2201 1 1 1 1 125.0211 *125.0231* 125.0231@2.0286422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1733 1 1 1 1 1 1 1 1 125.0231 *125.0367* 125.0367@1.9681785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0367 *125.0406* 125.0406@1.9677345 1 1 2794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1702 3447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2669 1 1 1 1 1 1 2790 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0406 *125.0451* 125.0451@1.9054015 1 1 1 1 1 1 1219 1 1 1 1 1 1 1 2299 1 1 1286 1 1 1 1 1 1 1 1 1 1 1 1 1609 1 1 1 1 1 1 1 1 1022 1 1 1 1 1 1 1 1 1 1129 1 1 1 1402 2147 1 1 1 1 1 1 1 1 1 1 1 1 1 1506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0451 *125.0453* 125.0453@1.9625525 1 1 1 1 2779 5496 4399 4483 2641 3183 2622 3054 5663 5536 4030 5832 2977 3177 4163 1 3128 1 1 1 1 1 3420 3333 1974 4428 4137 3256 6377 1 2922 1645 2175 3055 1 2788 3695 1 1 1 1 1 3842 3986 3125 3223 2936 6193 6175 5290 9077 10425 4222 6969 2748 3650 4464 4126 1 1 10738 12773 11390 12228 7935 8239 7727 6825 5809 3469 4684 4569 5738 6170 3003 2460 6134 6406 8448 4815 10188 9629 3178 2469 11376 9769 125.0453 *125.9985* 125.9985@0.9499419 1 1 1 1 1 1 1 1724 1 1 1 1 8909 10392 1 1 1 1 1 1932 1 1 8190 7864 1 1 1 1 1 2355 1 1 1 1 1 1 1 1 33109 33723 6206 5048 1 1 1 1 3916 4036 1 1 1 1 1 3998 1 1 1 1 1 1 10456 9730 1 1 1 1 4490 3722 1 1 1 1 3724 4676 1 1 2316 2429 7938 8689 1 1 1 1 1 1 1 1 1 1 125.9985 *125.9989* 2-Hydroxyethanesulfonate 616369 619128 533056 532579 555295 559113 655309 661534 805660 802445 710826 712992 832455 841566 713705 724838 964112 961422 855308 858134 2761 640997 1078576 1094074 537658 527525 584452 576146 1072 612412 796237 801271 688750 688227 811630 815575 1114815 1117542 1074799 1064556 760984 767403 2796 808039 768852 759828 834281 833603 600997 605429 976917 988388 1053915 1059080 979294 971144 513608 516862 1111274 1111107 1314962 1319906 1073901 1059196 746610 752378 681940 681996 898972 921890 1404592 1390526 625556 624834 760826 766642 1129375 1114922 1350876 1332534 1299379 1289536 937892 941916 1583093 1567161 726556 740542 1467274 1468529 HMDB03903 C05123 125.9989 *125.9989* 125.9989@2.341381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637017 1 1 1 1 1 1 1 611284 1 1 1 1 1 1 1 1 1 1 1 1 1 808989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.9989 *125.999* 125.999@2.236782 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 3517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.999 *126.0022* 126.0022@0.9545503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 126.0022 *126.0056* C4 H2 N2 O3 6837 1 2254 10147 2971 4185 1534 3234 8134 1 5437 5139 5294 4963 1 8096 1 1 2454 7221 5524 1 4216 1 1 7937 1 2181 2432 15812 5180 1 1 2609 1504 1950 1617 1 4813 2687 2236 1 7720 1 4618 8881 7963 1 1 1 1 1 2615 1 3394 1 6389 9644 1364 1 1 1 1 1 1 1 1 2444 4545 1802 1 4770 1 1 1584 1335 1 2523 1 1 1 1 1502 1420 2179 4309 1 1 1 11607 126.0056 *126.0061* 126.0061@1.9910221 1 1 1 1 1559 1 1 1 1 1 1 1 1 1 1 1 1 1 2668 1 3001 1 1 1 1 1 1 1 1 1 1 1 1 2582 1 1 1 1 1 1 1 1 1 1 1 2227 1 1 1 1 1 1 1 1 1 1 2332 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 1895 1 1 1 1 1 126.0061 *126.0068* 126.0068@4.1993346 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1248 1741 1 1 1 1 1 126.0068 *126.0072* 126.0072@1.9990901 1 4909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2104 1 1 1 1 1 1 5594 1 1 1 1 4082 1 1 1 1 1 2781 1 1 1 1 1 3439 7818 1 1 1 1 1 1 2886 7928 2723 10306 1 5167 1 1 1 1 3392 2198 1 1 1 1976 2506 1 1 1 1 1 1 1 1 2069 1 1 2977 2175 1 1 1 1 1 2350 1 1 1 1 4321 1295 126.0072 *126.008* 126.008@5.092333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.008 *126.008* 126.008@1.3679132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.008 *126.0093* 126.0093@1.3276911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1490 126.0093 *126.01* 126.01@1.6327633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 126.01 *126.0117* 126.0117@4.8590655 1 1 1 1 1 1 1920 1 1 1 1 1 1 2015 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 1586 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 1478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0117 *126.014* 126.014@9.938742 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 1 1 1 1 1 1 1 1 1 1 126.014 *126.014* 126.014@1.9629165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.014 *126.0143* 126.0143@6.232098 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0143 *126.0159* 126.0159@4.8624415 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0159 *126.025* 126.025@5.694773 1 5266 1 1 1858 2187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3889 2558 1 1 4835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.025 *126.0251* 126.0251@0.80669725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 126.0251 *126.0261* 126.0261@5.673987 1 1 1 1 1 1 1 1 3647 1 1 1 1 1 1 1338 3323 1 1 1 1 1 1 1 1 1 1402 1 1 1 1 1 1 1 1 1 1 2877 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0261 *126.0285* 126.0285@0.8011616 1 1 1 1 1 1 1 1 1 1 1 1 1881 1546 1 1 1 1 2948 1 3678 4371 1 1 1 1 1 1 1 1 1 2732 3458 3100 1 1 1 1 1116 2826 2578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2390 1 1 1 1 1 2260 1568 1 1 1693 1 1 1 1 1994 1 1 1 1 3803 1872 1 2137 1 1 1 1 3303 126.0285 *126.0301* 126.0301@5.067279 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0301 *126.0307* 126.0307@5.75063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1329 1 1 1 1 1 1 1 1 3229 1 126.0307 *126.0318* 126.0318@1.6331105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6633 1 1 1 1 1 1 1 1 1 1 1 126.0318 *126.0342* 126.0342@1.9673333 1 1 1 1 1 1 1 1 1 3720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4096 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4163 1 1 1 1 3656 1 3504 1 1 1 1 1 1 1 126.0342 *126.0357* 126.0357@1.9727111 1 1 1 1 3562 1 4181 1 1 1 1 1 1 1 1 1 3383 1 1 1 1 3613 1 1 1 1 1 1 1 1 3706 3740 1 1 1 1 1 1 1 1 1 1 1 3184 1 1 1 1 3590 1 1 3845 1 1 1 1 1 1 1 3527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3635 1 1 1 1 1 1 1 1 1 1 1 1 2334 126.0357 *126.0394* 126.0394@1.9722049 3226 2369 3261 1 1 3593 1 3906 3049 1 4629 4244 1 2864 4575 2882 1 2609 4028 2831 3886 1 3522 2316 1 3759 3814 4703 1 3347 1 1 1 4638 3267 3627 2765 1 3741 4026 3542 2864 3125 1 3081 2741 1 4037 1 3668 1 1 1 2529 4793 4472 1 4241 3177 1 4175 4213 4346 4126 5422 3249 6036 6042 4635 5093 2979 4069 1 4027 3294 1 1 2826 1 2440 1 1 1 3488 3446 4403 1 1 1 1 126.0394 *126.0586* 126.0586@1.3724849 1 1 1 1 1 1 1 1 1 1 1 2207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0586 *126.0621* 126.0621@1.3686209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1093 1 1 1 1 1 1 1 2999 1 1 1 1 1 1367 1 1 1 1 1 1 1 1 1 1 1324 1696 1 1 126.0621 *126.0663* 126.0663@1.3672373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0663 *126.0932* C5 H10 N4 11993 12334 10012 9727 9358 10560 12641 12109 17091 1 14729 13600 1 1 14909 14678 1 1 1 1 12345 12337 1 1 9994 9588 10925 10448 11073 11806 1 17037 14137 13927 1 1 1 1 1 1 16012 16687 16728 1 16332 16016 1 1 11334 11761 1 1 1 1 1 1 9225 9776 1 1 1 1 1 1 15761 16588 14219 14608 1 1 1 1 12348 12768 16838 16720 1 1 1 1 1 1 1 1 1 1 15725 16193 1 1 126.0932 *126.0984* 126.0984@1.6261204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 126.0984 *126.1307* 126.1307@2.3721657 3336 3128 2456 2719 2871 2844 3595 3767 4785 1 4220 4099 1 1 4227 4002 1 1 1 1 3165 3176 1 1 2945 2691 2985 2909 3342 3087 1 4821 3810 3691 1 1 1 1 1 1 4536 4730 5208 1 4278 4105 1 1 2886 3098 1 1 1 1 1 1 2541 2535 1 1 1 1 1 1 4272 4602 3988 3790 1 1 1 1 3345 2642 1 4307 1 1 1 1 1 1 1 1 1 1 4084 4300 1 1 126.1307 *126.8817* 126.8817@1.099615 1 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 5377 1 1 1 3659 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 4144 4654 4503 3175 1 4504 1 1 1 4583 1 1 1 4717 4630 1 1 4603 4923 1 4236 1 1 6770 1 1 1 5321 1 1 1 126.8817 *126.9057* 126.9057@2.0522482 1 1 1 1403 1 1 1543 1260 1 4036 1 3647 5139 1846 5383 3342 1 1 3789 2515 1 4211 1 1 1 1 2582 1 1 1 1 4863 1 4602 2561 3103 1 2511 5147 1 4953 5117 4644 1961 1 5234 1 3707 2260 3427 1 1 1 2834 1 1155 1 1 2441 1 1 1 4266 3062 2227 2219 1 1 1 2821 1 1 1 1 2886 1 1 2902 1 1 1 3779 1 1 1 1 1 2592 1 4124 126.9057 *126.9062* 126.9062@2.796244 1 1 3115 2739 1326 1 1 1 1 1564 1817 2052 1 1 1 1 1 1 2005 2601 1 1 1816 1 1 1 1816 2532 1 1 2301 1602 2373 1881 1623 1 2087 1 2034 1376 1 1 1 1739 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 1225 1 1 1 1 1 1 1 1 1 1 1 1 1 1066 1307 1 1 1 1 126.9062 *126.9068* 126.9068@2.008864 1 1 1 1 1 1 1 2776 1 1 1 1 1 1 1 1 1 1 1 2217 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 2251 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 1 126.9068 *127.0368* 127.0368@2.2493284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2576 2308 1 1 1 1 127.0368 *127.0388* 127.0388@1.8125027 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 1 3547 3093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1634 1 1 1 1 1 127.0388 *127.0615* 127.0615@2.055256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3265 1588 1 1 1 1 1 1 1 1 1 1 127.0615 *127.073* 127.073@3.8413363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1412 1436 1 1 1 1 1 1 1 1 1 1 127.073 *127.9112* 127.9112@1.1670604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2703 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.9112 *127.9114* 127.9114@0.9436135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4770 4541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.9114 *127.9115* 127.9115@0.743962 25957 25636 3876 3475 4929 5507 5631 5534 20699 21042 4413 4404 4612 4222 94791 92194 127713 130450 5635 5506 2705 2674 390422 383766 9048 9141 13755 13294 23252 24100 99812 103495 42955 43878 7509 7673 300200 301952 38683 38458 5260 5308 17826 17466 9115 9642 8059 8090 985492 1043626 4229 4231 11705 11820 10983 11600 45220 45730 262429 259761 27906 28382 3974 4134 25771 26621 9940 9714 6145 5366 5950 5822 8808 8867 34495 36245 105686 107150 2756 2931 12331 12168 10115 10616 11826 12385 15475 14876 121703 119169 127.9115 *127.9115* 127.9115@0.82570183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 64443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.9115 *127.9607* 127.9607@0.8305764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8295 8777 1 1 1 1 1 1 1 1 1 1 127.9607 *127.9932* 127.9932@0.84335554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 127.9932 *128.0069* 128.0069@0.74299914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1113 1 1 1 1 1 6643 7012 1 1 1 1 1 1 1 1 1 1 1 1 5200 4821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3521 3428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1195 1284 1 1 1 1 1 1 1 1 1 1 1327 1045 128.0069 *128.0081* 128.0081@5.4858375 3050 2587 2789 2948 2939 3168 2771 3056 3031 2568 2816 3088 2857 2751 2998 2901 3563 3349 2771 2913 2905 2917 3267 3324 3014 2801 2982 3152 2660 3003 3181 3046 3258 3040 3036 3420 3060 2963 3467 3522 2957 3032 2887 3342 2935 2961 3259 2765 2904 2957 4320 4272 4007 3507 3712 3997 3595 3361 3327 3331 4175 3793 3416 3186 3717 3600 4049 3739 3476 3341 4229 4383 2888 2954 3353 3611 4568 4423 4233 4361 4516 4761 4685 4413 4624 4441 3811 4688 3521 4151 128.0081 *128.0119* 128.0119@1.9694787 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0119 *128.0123* 128.0123@1.987476 4621 1 2501 2643 1 2671 1 1 3224 1813 4058 1 1 1 1 1 1 1 3484 1 1 1 1 1 1 1 5109 1372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2636 1 1 2726 1 1 1 1 1 1 1 1 1 1 1915 1 1 1 1 1 1 1 1 1 1 1 4601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1893 1 1 128.0123 *128.0257* 128.0257@2.1022253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1795 2219 1 1 1 1 1 1 1 1 1 1 128.0257 *128.0434* 128.0434@0.7444864 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 128.0434 *128.0473* 128.0473@1.3159523 1 1 1 1 1 1 1 1 1 1 2162 2567 1 1 1 1 1 1 1 1686 1 1 2015 3867 1 1 1 1 4858 3104 1 1 1 1 1 1 1 1 1 1 1 2147 1 1 1 1 1 1 1 1 1 1 3291 2101 1 1 1 1 1 1 1 2260 1 1 2508 2988 2687 2885 6081 6067 1751 1 1 1 1 2443 2371 2038 3025 2527 3096 3310 1 1 1 1 1 3260 1 1 128.0473 *128.0474* 128.0474@0.74123704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2058 2260 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 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 1 128.0474 *128.0479* 128.0479@1.3360741 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0479 *128.0482* 128.0482@1.4596156 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 1707 1918 1 1 1 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 2405 1 1 1 1 1 1714 3199 1 1 1 1 1 1 1 1 1 1 2119 1993 1 1 1 1 2435 2205 2839 1 1 1 128.0482 *128.0493* 128.0493@1.973041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2601 1 1 1224 1 1 1 1 1 1 1 1 128.0493 *128.0517* 128.0517@1.6354934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4609 2712 1 1 1 1 1 1 1 1 1 1 128.0517 *128.0541* 128.0541@1.9766773 1 1 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 1 1 1 1 1 1 1 128.0541 *128.0577* 128.0577@6.834947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4245 2700 2699 1 1 1 1 1 1 3389 3366 1 1 1569 1 1 1 1 1 5607 6170 1 1 1 1 6253 6627 3791 4494 5650 5892 2999 2815 4823 5604 1384 6880 2864 2660 128.0577 *128.0579* 4-amino-4-cyano-butanoic acid 1 1 1 1 2842 2567 4279 4471 2987 2353 5835 5906 2227 1979 1 1 1 1 2663 2550 1 2236 1 1454 1 1 1 1 1 1 2804 1703 3305 3264 1780 2810 1 1 1905 2102 3574 3111 1 1 1 1 1 1 1 1 1 1 4776 4398 1 1 2781 2707 1 1 6231 7272 1 1 7346 7116 4835 5547 8265 7758 3606 4293 3497 3637 7684 7806 6814 6350 2661 2163 1971 1 1 1 9485 8569 3051 3731 2026 1 C05715 128.0579 *128.0581* 128.0581@6.8207703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5910 1 1 1 128.0581 *128.0779* 128.0779@1.5031543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1539 1 1 1 1 1 1 1 1 1 1 128.0779 *128.0781* 128.0781@1.6281176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5466 1 1 1 1 1 1 1 1 1 1 1 128.0781 *128.9633* 128.9633@1.97488 1 1 1 1 1066 1 3015 1 1 1 1 1 1 1 1 1 1 2365 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.9633 *129.0171* 129.0171@1.191358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10931 10921 1 1 1 1 1 1 1 1 1 1 129.0171 *129.0408* 129.0408@0.8456655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1391 1 1 1 1 1 1 1 1 129.0408 *129.042* Pyroglutamic acid 5657 5617 7572 8611 6629 6556 5363 5360 5429 5475 7783 7340 6667 6547 5052 5069 5680 5994 6762 5523 6056 5995 6384 6709 7355 7310 6125 5442 5070 5756 8220 8446 7196 8196 6333 5808 6435 6189 6163 6563 6337 6054 6651 6063 5713 5145 5024 4743 5496 5345 9652 10094 11524 11050 8597 7559 7381 7736 5659 5915 9829 9677 5949 5972 8503 8766 7374 7751 8632 8510 11748 12191 4852 4847 8566 9298 13798 14105 41168 39111 13168 13882 9373 9874 11420 12265 27233 26258 10540 10746 HMDB00267 C01879 129.042 *129.0435* 129.0435@1.967169 1 1 1 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 1414 1 1 1 6786 1 1 1 2882 1 1 1 1 3640 1 1 1433 1 1 1 1 1 1 1 1 1 1 1 9470 13413 1 1 1 1 1 1 1 5015 1 1 129.0435 *129.0448* 129.0448@6.828273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1511 2060 1 1 1 1 2023 1703 1 1 1910 1769 1 1 1422 1750 2069 1964 1 1 129.0448 *129.0454* 129.0454@3.0755053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 129.0454 *129.9661* C3 H2 N2 S2 3788 3549 4159 4662 3605 3985 4109 3999 4119 4006 4336 4067 3874 3606 4216 4146 4880 5082 4588 4424 4063 3971 3635 4107 4078 3790 4831 4562 3565 3816 4746 4600 4016 4142 4079 4154 4228 4259 4286 4751 5060 5042 4532 4299 4238 4332 4056 4397 4371 4310 4776 4327 4603 4855 4573 4484 4498 4928 4188 4569 4811 4998 4576 4526 5645 4884 4189 4955 4381 4873 5731 5305 4162 4838 4412 4752 5302 4968 6461 6994 5537 5396 5875 5422 7022 6931 5639 6023 4450 4082 129.9661 *130.0258* 130.0258@1.3016034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4670 4231 1 1 1 1 1 1 5958 1 1 5523 1 1 130.0258 *130.0258* 130.0258@1.4606956 2824 1 1 1 1 1 3012 1 1 1 1 1 1 1 4514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5215 1 1 1 1 1 8133 1 1 1 1 1 1 1 1 1 1 2087 1 1 1 2206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2010 1 1 1 1604 1 1 1 1 1 1 1 1 1 1 1 1 4698 1 1 130.0258 *130.0258* 130.0258@4.3906827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 130.0258 *130.0259* 130.0259@1.6495723 1 1 1 1 1 1 1 1 1 1 1 13378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17688 1 1 1 1 1 1 1 1 1 1 1 16059 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 6314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10667 1 1 130.0259 *130.026* Citraconic acid - 2.040095 36501 47359 82866 63872 58771 75222 22409 25988 13225 81994 66967 96117 83128 84954 48556 13443 1 1 81429 82107 30475 31995 53360 49579 46171 49043 127821 95371 37455 32009 78142 77301 62945 83178 12003 40009 34742 55005 80020 97594 11572 11013 71549 68761 61484 12563 24125 33322 12840 12190 3895 5144 17893 26057 4574 4884 63341 57868 7490 6684 13809 15741 3016 1 26989 28009 19898 20993 80401 55889 21690 19558 14611 21501 23381 24295 23516 51637 16954 15441 9705 7460 10113 6854 48474 70288 55907 26477 1 8885 HMDB00634 C02226 130.026 *130.026* 130.026@2.1585703 10110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.026 *130.0261* Citraconic acid - 1.722686 4503 21253 30322 25922 22932 22779 17972 17791 15275 15750 26497 26275 29960 28411 27427 26108 13576 12846 32919 12878 1297 4313 1 14740 13626 25589 31822 40306 7288 10552 29885 22696 25730 18560 13135 15481 21759 23492 18239 30205 16577 17506 11796 1 20199 1 7441 12153 1523 8005 18805 20755 3237 16260 6106 5153 1 1 11822 10418 25333 27067 13220 13126 12959 14531 11673 11344 1 15125 47265 44947 9911 10547 16525 15755 23877 22926 62460 63414 26818 26875 22875 21333 26078 27135 19299 24922 22270 17289 HMDB00634 C02226 130.0261 *130.0262* 130.0262@1.8920001 19796 1 1 1 1 1 9729 8344 1 1 1 1 1 1 1 1 7908 1 1 28854 22838 19867 1 1 1 1 1 1 9289 10483 1 1 5388 1 1 1 1 1 1 1 4636 1 22047 1 1 1 12644 1 7198 4637 16227 15896 15598 1 3050 1 1 1 1 1 13582 12374 7926 5928 11478 9678 1 1 1 1 1 1 5820 7334 1 2365 1 1 15789 16742 9603 1 8216 1 1 1 1 1 14870 12839 130.0262 *130.0262* 130.0262@2.501723 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 1514 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 1925 1 1 130.0262 *130.0262* 130.0262@3.7688017 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 1 1 1 1 1 1 1 1 1 130.0262 *130.0263* Citraconic acid 1 1 1 1 1 1 1761 1203 1 1387 3127 2923 1857 1782 1 1 1 1 1637 1696 1 1 1 1 1 1 1310 1 1 1 1 1 1 1449 1500 1665 1 1 1 2251 1260 1599 1 1 1 1 1463 1347 1462 1 1 1 2211 2294 1 1 1683 1763 1592 1118 3485 3551 1 1 3197 2966 1751 1908 5005 5546 1529 2000 1594 1554 1560 1440 2149 1839 4351 4501 1 1111 1 1105 1 1877 3363 2807 1 1 HMDB00634 C02226 130.0263 *130.0263* 130.0263@1.9638644 9459 1 1 16872 11963 1 1 1 1 1 12955 1 1 4431 1877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19779 1 1 12642 9760 1 23788 1 1 1 1 1 1 1 10507 1 1 1 1471 1 10181 1 1 1 1 15570 1 1 1 1 1 1 1 1 1 1 1 17251 23452 1 1284 1 1 1 34100 1 1 1 1 1 1 1 37545 17598 1 33325 1 5891 130.0263 *130.0263* 130.0263@1.6390816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 9100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0263 *130.0263* 130.0263@2.2635238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0263 *130.0263* 130.0263@3.11643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0263 *130.0264* 130.0264@2.998664 1 1 13759 1 14426 1 1 1 1 1 14634 16950 15592 3807 9094 1 1 1 1 18906 1 1 1 7565 6805 9352 12848 13339 1 1 20758 20565 1 1 4758 1 1 1 15595 12845 1 1 1 19032 1 1 1 1 1 1 1 1 2197 1 1 1 1 10304 1 1 1 1090 1 1 2144 1 1 1 1 1 1 1 1983 2414 1 1 1 1 1 1 1 1 1 4811 1 1 1 1 1 1 130.0264 *130.0266* Glutaconic acid 110541 115297 11908 136375 6425 105724 12066 120185 126957 136765 14654 14143 8135 98527 11821 9020 15150 1 130438 128073 20803 9394 16669 149072 16785 17797 14450 6586 79895 80967 17995 8999 1 1 151586 145891 192474 194687 31459 14101 171968 175387 116670 117767 122528 130920 137910 139340 23046 16162 144601 14105 185976 178748 10212 19065 19231 19156 172651 175633 33956 151215 173873 173612 26707 27082 23149 25335 32554 137880 61486 59397 5073 19028 153216 142249 35071 34761 179208 175757 39868 34699 130179 10797 54616 54420 161207 169507 169653 180945 HMDB00620 C02214 130.0266 *130.029* 130.029@3.1238184 1 1 1 1 1 1 17645 1 1 1 1 1 1 1 9472 11709 1 16271 1 1 1 10782 12943 1 1 8142 8347 1 1 1 1 1 1 1 1 1 1 1 1 12449 1 1 1 1 1 1 4641 1 1 6770 1 18954 1 1 14678 8998 1 1 1 1223 1 16735 1 1 1 3349 1 1 1 1 1341 1 12274 1 1 10641 1 1 1 1 1 1 1 1 10731 1 1 1620 1 1 130.029 *130.0297* 130.0297@1.1947851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0297 *130.0334* 130.0334@3.0009816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9665 1 1 1 1 1 1 1 1 1 1 1 1 1 6452 6050 1 1 1 1 1 1 1 1 1 1 7541 7650 1 1 1 5881 1 1157 1 1 4965 3870 1 1 130.0334 *130.0338* 130.0338@1.9639987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4395 5622 1 1 1 4010 1 1 1 1 1 1 6198 5129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0338 *130.0371* C4 H6 N2 O3 3776 3797 1598 1 2408 2463 3701 3602 1 1 1 1705 1 1269 1 1398 1659 1550 1712 1365 2378 2408 2394 2839 1 1 1 3369 1709 1366 1 1899 4646 4502 1 1177 2519 2612 2043 2282 1567 1136 4064 4217 1 1 1 1307 5865 6414 7410 7525 3965 4318 1224 1 2051 2264 2882 3526 6030 6323 5069 4815 2858 1 8032 8299 3810 4201 3701 3674 2227 2461 2135 1 1 1 5732 6771 8846 8606 3031 3381 3534 1 1 1 5295 5106 130.0371 *130.0402* 130.0402@2.9570155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5445 3997 1 1 1 1 5260 5644 130.0402 *130.0405* 130.0405@1.3453114 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 1101 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 3494 1 1 1 1 1 1 1 1 1 1 130.0405 *130.0564* 130.0564@2.3988833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2852 1 1 1 1 1 1 1 1 8579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0564 *130.0584* 130.0584@2.4140606 1 1 1 1 1 1 7020 6200 1 1 1 1 1 1 3075 1 5073 4719 1 1 5221 6237 1 1 1 1 1 1 1 1 1 1 1 1 5307 1 6963 6500 1 1 1 1 1 1 1 1 7070 7586 7183 7253 2439 2237 1 3430 2951 3421 1 1 1 3496 5008 6586 1 1 4443 3933 3246 2264 1 1 1 1 1 1 3908 2728 3167 1 4339 4128 1856 1 2799 3312 1 1 3885 4002 3175 3950 130.0584 *130.0589* 130.0589@1.3372462 1 1 7825 7787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0589 *130.9436* 130.9436@1.982197 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 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 1 130.9436 *130.9438* 130.9438@0.9055325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2004 1 1 1 1 1 1 1 1 1 1 130.9438 *131.0246* 131.0246@1.8947281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0246 *131.0291* 131.0291@2.8629143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 131.0291 *131.0298* 131.0298@1.9820371 1 1 1 1 1 1151 1 1 1 1 1 1750 2533 3413 1358 1 1 1 1 1534 1504 1431 1 2940 1760 1246 1 1 12918 7849 1 1872 1379 1 1 1 1 3748 1 1 1 1 1 1849 2845 1 1 1 2608 2006 1 1 1 1 2719 1970 1 1 1 1 1 1 1 1 1 1 1 1240 1 1 1 1 1 1 1 1 1 1588 1 1 1 1935 1 2279 1 1 2279 1 1 1 131.0298 *131.0348* 131.0348@1.9603031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15894 1 1 1 1 1 1 1 1 4617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0348 *131.0497* 131.0497@1.8667763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 131.0497 *131.0526* 131.0526@2.551747 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0526 *131.0544* 131.0544@2.0070066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3505 1 1 9467 9019 1 1 1 1 1 1 1 1 1 1 131.0544 *131.0571* 131.0571@3.6997285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2958 1 1 1 1 1 1 1 1 1 1 1 131.0571 *131.0572* 131.0572@2.5566125 1654 1042 1 1 1218 1 2001 2344 1 1 1 1 1 1 1696 1025 1 1758 1 1 1433 1994 2474 2432 1 1 1 1 2293 2606 1 1 2551 1442 1 1363 3802 3855 2341 2971 3398 3006 1 1 1 1895 1 1777 1383 1 1046 1282 1918 2485 1747 2351 1 1 1557 1 1 1943 1 1789 1 1 1 1893 1 1 2403 2700 1 1 1538 1273 1734 1918 3518 3630 3407 3500 1848 1441 2950 3142 1 1 1815 2052 131.0572 *131.0577* Glutamic acid g-semialdehyde 2547 2989 3220 3037 4149 3886 4678 5019 3204 2966 4634 4789 4576 4682 4121 3909 4309 4557 5073 5312 4147 3568 5335 5447 2046 2136 3686 3925 4241 3675 5176 4669 5255 5765 4518 4030 7085 6963 5658 6065 5573 6156 3999 4204 3068 3774 3763 3854 3940 3901 3616 3209 4788 4396 3417 3684 2815 2580 3608 3629 4865 4698 4015 3953 4275 4126 4009 4322 4745 4671 7344 7502 4092 4620 3828 3679 5044 4727 5842 5890 6071 6242 4459 4340 6042 6538 3895 3752 5829 5770 C00217 131.0577 *131.0685* Creatine 1 1 1 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 1006 1 1 1 1 1 1 1 1 1 1 1 1687 1744 1048 1293 1 1 1 1 1 1 1324 1601 1 1 1261 1388 1 1 1010 1 1522 1862 1 1 1013 1 1897 2077 1788 1831 1885 2029 1678 1518 1761 1962 1714 2017 1046 1199 HMDB00064 C00300 131.0685 *131.0724* 131.0724@1.1351528 1 1 1 1 1 1 1360 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 1 131.0724 *131.0937* 131.0937@3.2805064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27004 26216 1 1 1 1 1 1 1 1 1 1 131.0937 *131.094* Leucine 4201 2068 6501 6785 6794 6748 7727 8004 5026 6378 8835 5310 4582 4529 5586 5632 6237 6956 5714 5350 6240 6109 4722 4774 5981 5824 8194 7006 3360 3260 6706 7036 4505 5234 4898 5439 5319 5503 3576 3993 4738 5333 7319 7774 5843 5759 7854 8678 5000 4924 7784 7688 7598 7298 8052 8120 5958 5544 4331 4303 9842 10203 6036 2635 9562 9128 6135 5654 8857 8205 8047 8424 11430 11087 3545 7317 10414 10163 9943 10679 6871 6748 8503 8610 7703 7231 15106 14527 4936 4967 HMDB00687 C00123 131.094 *131.094* Isoleucine 1658 4149 3177 2786 3485 3467 4303 3622 2469 2468 4909 8519 2236 2222 2472 2133 1 3478 2934 3249 3174 3658 1559 1866 2864 3031 2968 3331 1551 1633 3387 3769 2677 1907 2873 2589 2237 2875 1860 1 2154 1985 4564 4302 2590 2694 3529 3529 2438 2350 3026 2873 3497 3726 3006 3212 2396 3147 2287 1915 4937 4395 2619 6382 4062 4082 2312 2814 4353 4384 3417 3235 4961 5345 7076 3634 4368 4099 5632 5865 3398 3149 4495 3930 4041 4020 7188 7119 2617 2710 C00407 131.094 *131.9475* 131.9475@6.9434905 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1506 1 1 1 1 1 2492 1 1 1328 1 1 1 1 1 1 131.9475 *131.9484* 131.9484@7.096359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2269 1 1 1 1 1 1 1 1 2510 1 1 2912 1 1 1 131.9484 *131.9486* 131.9486@6.926801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 131.9486 *131.9542* 131.9542@7.127376 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.9542 *131.9698* 131.9698@9.511136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 131.9698 *131.9702* 131.9702@8.066728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1110 1 1 131.9702 *131.9702* 131.9702@9.834835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.9702 *131.9717* 131.9717@8.549052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1094 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 1 131.9717 *131.9726* 131.9726@13.429052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1374 1 1 1 1 1 131.9726 *131.9728* 131.9728@7.81612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1079 1 1 131.9728 *131.973* 131.973@12.747912 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 1700 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 1 1 1 1 1 1 1 1 131.973 *131.998* 131.998@1.288553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 131.998 *131.999* C3 H4 N2 O2 S 5079 5081 5065 5216 5885 5667 5889 5154 5040 5372 5321 5479 5131 5400 5555 5535 5353 5295 4542 4018 4842 5269 4258 4619 5794 5904 4912 5045 3630 4757 5342 5713 5532 5523 4796 5416 5820 5689 3672 4633 5369 5525 5250 4729 5603 4759 3884 5380 3887 5183 5620 5859 5202 5613 5382 4951 5488 5771 5561 5628 4939 6110 5431 5744 7346 6834 6023 6305 5473 5509 3799 3499 5855 5415 4926 4833 4419 3331 5803 5921 5384 5658 5268 4829 4652 5493 5290 5125 4281 5389 131.999 *131.999* C3 H4 N2 O2 S - 0.96635234 4791 5346 4488 4603 5294 5130 5010 4899 4685 4105 5104 4173 4890 4470 4624 4640 5725 5230 3564 3730 4329 4064 3949 3446 4243 4104 4296 3560 2726 3756 4502 5099 4710 5287 4011 4978 4896 4249 3575 3742 4458 4648 4483 3695 4227 4040 3406 4457 3505 4130 4293 4871 4724 4428 4450 3912 4722 4013 3946 4116 4111 5035 4279 4274 5800 5452 4782 4761 4053 4200 2440 2526 4860 4237 4033 3490 3701 3006 3804 4222 4046 3770 3787 3954 4057 3789 4028 3874 3373 4297 131.999 *132.0166* 132.0166@3.449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 132.0166 *132.019* 132.019@4.4139466 2388 1 1 4170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2717 1165 1 1 1 1 1 1 1404 1 1 1 1 1 1 1 1 1 1 1 2253 1 1 1 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 1 132.019 *132.0192* 132.0192@5.045331 1792 1 1 1 1 1 1 1 1 1 1 1 1 1 2800 1 1 1 1 2929 1349 1 1 1 1 1 1 1 1999 1 1 1 1 1 1 1113 1 1 1 1 1 1122 1 1 1745 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 1616 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0192 *132.0194* C8 H4 O2 13333 11602 8509 11129 9836 11877 8821 6497 6346 8021 14639 8473 10500 9344 9210 1 5920 7803 8022 8905 8548 6481 8313 8167 5609 6738 5084 16890 6671 1 5409 4090 6219 5145 4593 3725 5657 3237 5258 5233 4749 3868 2257 3873 4798 3590 4290 3256 3913 3593 5707 3692 5235 3627 1 4822 7065 5049 2604 2788 4526 2301 10449 2941 3234 9474 1717 2394 3354 3007 7968 2376 3080 4367 2265 8597 1965 6574 2706 6213 1051 3025 6458 1 4483 2260 1 3169 2351 1 132.0194 *132.0194* 132.0194@5.7762337 2050 12080 9157 7715 4783 16743 14867 7029 1 8038 1 1 6628 4159 2388 1 8687 11801 5529 3526 5893 10910 5251 1 1 2327 10230 1 3306 1351 7731 6592 2619 1 1233 3471 5005 1528 1707 2123 1619 5708 2810 1 2724 2127 1697 5255 4569 2752 7105 1 1 4826 1 2255 2319 4556 4298 1 3119 1504 1 4671 1 1700 1 1709 4809 4472 1861 3456 1 3734 3445 1 1969 1587 1 1605 1123 1504 1 1 1 2545 1 4183 4988 1 132.0194 *132.0194* 132.0194@4.5144153 4092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2066 1899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0194 *132.0195* 132.0195@5.7770147 1496 1 1 1 8707 1 1 1 1 1 1 1 1 1584 7163 1 1 1 1 6752 1 1 4368 1 1 5008 1 1 1 1 1 1 3415 1 5957 6404 1 3223 5422 1 1 1 1 1 1 2186 3701 1 1 4669 1 1 1 1 1 1238 1 1 1 1 1 5017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4387 1 1 1 1 4342 1 1 1 1 1 2161 1 1 132.0195 *132.0195* 132.0195@6.3157887 1 1 1 3053 1 1474 1 1587 1 1 1829 1 1 1 1 1 1 2456 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 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 1 132.0195 *132.0195* 132.0195@4.331576 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0195 *132.0197* 132.0197@4.5545444 3049 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0197 *132.0205* 132.0205@3.4488795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 132.0205 *132.0269* 132.0269@1.8907244 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0269 *132.0279* 132.0279@1.9668031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9559 15170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0279 *132.0331* 132.0331@1.9133279 1 1 1 1 1 1 1 1 1 1 1 1 1 2121 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 2803 3201 1 1 1 1 1 7404 1 1 1 1 1 1 1 1 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 1261 132.0331 *132.0336* 132.0336@1.9297981 1 1 1 2440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2574 2786 2256 3875 1 1 1795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1384 1 1 1 3216 1 1 4045 1 1 2175 1 1 1 1 2405 1 1 1 1 1 1 1 2568 1 1 1 1 1 1 1 1 1 1 1 1 1 2766 8686 2819 1 1 1 3295 1840 1 132.0336 *132.0388* 132.0388@1.9149712 1 1390 3597 2072 1 1 1 2821 1 2346 1 1 1 1 1352 2274 2764 1561 1 1027 1917 1 4576 2573 1979 1 1366 1 1 1224 1 1730 1 1 1 1 1 1728 7239 1 7978 1 1 1 1 1211 1105 2132 1 1 1839 1 1 2685 1 1 1 1 1 1562 1 3288 1 1 1275 1 3993 4233 2036 2793 1 1 1 1 1 1572 1 2577 3020 2375 2741 3930 1 1 2522 3181 3603 7478 1 7337 132.0388 *132.0415* ethylmalonic acid 4748 1 8990 6127 6157 9288 1782 6517 11253 11214 11537 13503 2658 9129 8154 2797 1 1501 3120 9084 8406 6806 21625 23800 4668 3047 1 7372 5594 4170 15422 16202 17024 19906 5158 9547 13635 2364 19165 10312 3328 1 13782 15983 12030 5625 9546 11667 9762 8599 5517 8631 15818 6642 6827 1993 14483 15080 12560 3463 12083 1657 2980 7373 15509 14396 7668 9303 13251 12284 5129 10008 9648 9804 8470 5164 12937 13479 1 164498 8980 11007 7344 10159 22636 21422 13073 14610 6633 1 HMDB00622 132.0415 *132.0417* 132.0417@1.6697577 1 1 1 1 1 1 1 1 1 1 1 1 2714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5743 1 1 1 1 1 1 2648 1 1 7777 1 6708 1 1 1 1 1 1 1 1 1 1 1 1 1 3115 1 1 1 1 1 1335 1 6220 1 1 1 1 1 1 1 3508 1 1 1 1 1 1509 1 1 377155 209761 1 1 1 1 1 1 1 1 2736 1 132.0417 *132.0422* 132.0422@3.5758982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5143 1 1 1 1 1 1 1 1 1 1 132.0422 *132.0428* 132.0428@1.9501183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3130 3050 4366 1 1 1 1 1 1 6976 1 1 1 1 1 1 1 5737 1 1 1 1 3331 1 1 1 1 1 132.0428 *132.0692* 132.0692@1.9703348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 132.0692 *132.0731* 132.0731@1.9767072 1 1 1 1 1 1 1 1143 1 1 1250 1 1 1 1010 1 1 1 1 1 1 1725 1 1 1 1246 1507 1045 1 1 1 1 1 1029 1186 1 1 1 1 1165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1201 1 1015 1 1 1 1 1 1 1857 1509 1261 1 1 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0731 *132.077* 132.077@1.3871447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 132.077 *132.0778* D-Leucic acid 8961 9330 12198 12134 10163 9940 14834 15286 9495 9588 14174 13217 13889 14395 16367 16383 14735 14246 14619 14537 13242 13897 14355 15424 11846 12105 10289 9993 11215 11027 14570 13724 20472 20699 19989 18571 17214 16733 14915 15221 16247 15609 12872 13086 14555 14380 16278 16792 14869 13519 12446 12745 14904 15942 11245 11337 10559 10913 21791 21562 18378 18307 13059 12929 13831 17199 15818 16055 10888 11030 16328 15776 10476 10276 15271 14797 15460 17190 19536 20360 16259 16462 14462 13311 19686 19814 15951 16032 14710 15574 HMDB00624 C03264 132.0778 *132.1378* 132.1378@1.639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5653 1 1 1 1 1 1 1 1 1 1 132.1378 *132.913* 132.913@3.0251534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.913 *132.9134* 132.9134@2.0169864 2997 1 1 1 1 1 4081 4153 1 1 1 1 1 1 1889 2234 1 4329 1 1 4238 4162 2112 1 1 3099 1 1 1 3671 1 1 1 1 1 1 1 1 1 1 4780 5495 1 1 1 1 3234 2872 1 3956 1 3159 1 3693 2864 2893 1 1 3253 4167 3530 3751 5623 2648 2961 2849 3574 3615 1 1 1 3156 4210 1 3673 2514 2517 2467 3300 3667 3882 3615 3590 3137 1 1 1 2593 5015 2844 132.9134 *132.9136* 132.9136@1.207139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1487 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.9136 *133.0264* 133.0264@1.9679625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 133.0264 *133.0351* 133.0351@5.7338667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1071 1 1 1 1 1 1 1 1 1 1 133.0351 *133.898* 133.898@2.5639944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.898 *133.9* 133.9@2.9478912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1355 1927 1 1 1 1 1 1 1 1 1167 1 1 1 1 1 1 1 1 1 133.9 *133.9012* 133.9012@0.7625418 1 1 1 1 1 1 1 1 1 1 1866 3228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 133.9012 *133.9016* 133.9016@2.4623494 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 133.9016 *133.9047* 133.9047@0.92145646 1 1 1 3049 1 2972 3447 3368 1 2077 2977 1 1 1 1 1 1 1 3412 1 1 1 1 3219 1 1 1 1 1 1 2836 2772 1 1 2253 1 1 1 1 1 1 2725 1 1 1 1 3220 4152 1 1 1 2711 1 1 1 1 1 3338 1 1796 2794 3236 2562 1 1 4006 1 1 2605 3153 1 2797 1 1605 1 1 1 1 3103 2395 1 1 3247 1723 1 1 4021 1 1 2776 133.9047 *133.9055* 133.9055@0.78313684 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 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 1 133.9055 *133.9068* 133.9068@3.0381837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2395 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 3745 1 1 7497 1 1 1 1 1 1 4274 3338 1 1 1 1 3146 1300 1 1 1 1 1 1 1 1 1061 1 1 133.9068 *133.9068* 133.9068@3.4075823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.9068 *133.9073* 133.9073@3.145591 1083 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 1542 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 2306 1 1 133.9073 *134.0008* 134.0008@0.9873374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3688 1 1 1 1 1 1 1 1 1 1 1 1 134.0008 *134.019* 134.019@1.8814633 1 1 1 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 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 1417 1 1 1 1 1 1 1 1 1 1 1 1 2523 2234 1 1 1 1 1 1 1 1 1 134.019 *134.042* 134.042@1.643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4424 1 1 1 1 1 1 1 1 1 1 134.042 *134.0523* 134.0523@1.2062439 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 1066 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 1 134.0523 *134.0525* 134.0525@1.9667064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1938 1 1 1 1 1 1 1 3316 3110 2747 1 1 1 3357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3171 1 1 1 1 1 1 4411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.0525 *134.054* 134.054@1.9647062 1 2802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3627 3793 1 1 3662 3261 1 1 1 2289 1 1 1 3017 1 1 1 1 1 1 3120 3577 1 1 1 1 3018 2999 1 3299 1 1 1 4791 3859 1 1 1 1 3262 1 7349 1 1 1 1 1 1 1 1 1 1 1 1 1 14735 1 1 1 1 1 1 1 1 1 11176 1 1 1 1 1 1 1 1 134.054 *134.0542* 134.0542@1.2040095 1 1 1 1 1 1 1 1 1116 1 1 1 1014 1 1 1 1 1 1066 1191 1 1 1488 1301 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 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 1022 1 1 1 1192 1 1 1024 1 134.0542 *135.0041* 135.0041@1.0885777 1 1 1 1 1 1 1 1 1 1 1 1 1 2713 1 1 1 1 1 2070 6058 1 5702 6924 1 1 1 1 1 1 7217 7556 3315 1 1 1 1 1 1377 1 1 1 1 1 1 1 1 1 1 1 7257 12137 10016 6831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5547 1 1 4242 1 1 1980 1 1 1 1 4472 5346 1 1 1 1 1 1 1 1 135.0041 *135.0059* 135.0059@0.70417786 1 1 1 1 1 1 1 1 1 1 1 1 1 3981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0059 *135.006* 135.006@1.325144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1805 1 1 1 1 1 3744 1 1 1 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 1 1 1 1 1 1 1 1 1306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.006 *135.0061* 135.0061@3.7405052 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0061 *135.0062* 135.0062@2.9971685 1 1 1 1 3499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0062 *135.0063* 135.0063@2.0803177 1 1 1 1 26785 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4758 1 1 1 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 1 135.0063 *135.0065* 135.0065@0.77349836 3943 1 9027 11463 18222 1 6195 3634 1 1 11377 10106 5947 7793 1785 11761 6713 8148 1 6723 7338 9133 1 1 9164 7058 1 8116 9175 9734 1 12631 8212 1 4895 1 11839 8148 3167 11290 1 6470 19514 20068 8165 7959 11163 11578 11420 1 7631 11457 6850 6240 9735 9376 9613 8525 5483 8563 15469 6217 8822 9490 1 6673 1 12192 3805 1 17875 16185 4403 4451 1 4202 6076 7525 1 13098 8101 1 1 7178 9134 12194 1 4090 1 10074 135.0065 *135.0065* 135.0065@0.6679144 1 1 1 7049 1 1 11752 1 1 1 1 1 4826 1850 3645 1 11207 12193 1 1 3295 1 1 1 1 5703 1 12595 1 1 9611 1 1 1 1 5161 1 10319 11951 1 1 1 1 11527 8262 1 11239 1 1 1 1 1 4991 5900 9187 6291 1 1 1 1 1 1 11713 11127 1 7231 1 1 1 1 1 14831 7945 9145 1 4050 9620 1 1 1 9244 1 10528 5072 4259 6185 1 5217 1 1 135.0065 *135.0065* 135.0065@0.9468436 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5288 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 1 1 1 1 1 1 1 135.0065 *135.0068* 135.0068@2.9429085 1 1 1 1 16542 1 1 1 1 1 1 1 1 1 5826 1 1 2024 8132 1706 8017 7235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8655 1 1 1 3011 1 1 5520 10580 1 1901 1 1 1 1 1 10653 1 1 1 1 1 1 1 1 1 1 1 5430 1 1 1 1 1 12604 1 1 3780 1 1 1 1 5236 12463 1 1 5448 135.0068 *135.0071* 135.0071@1.0311985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 135.0071 *135.0477* 135.0477@3.5069025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0477 *135.0494* 135.0494@3.4965212 1 2992 2751 2174 2032 1 4034 3525 2364 2903 2369 1 1 1289 1 3535 4435 4234 1712 2281 3145 2371 1 2875 4301 4330 3570 2786 1 1 1 1 1 2918 4864 5258 4306 1 3798 1 3600 4024 1 3493 4922 5203 4664 1 1 3217 3849 4109 5495 5295 4784 4637 5804 4902 5711 1 7202 6863 4381 4336 1 1 4811 4989 4256 4093 4015 2078 1 4131 4666 1 1 4054 6868 1 4499 1 4269 3294 3320 3372 1 4114 5560 4740 135.0494 *135.0619* 135.0619@3.0565722 1 1 1 1 1 1 1 1 1 1 2903 2015 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 1032 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0619 *135.0626* 135.0626@2.1198964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2795 2835 1 1 1 1 1 1 1 1 3780 3466 1 1 6447 5689 1 1 5494 5162 1 1 1 1 1 1 1 1059 1 1 1 1 1 4259 3680 3201 1 1 1 1 3641 3269 1 1 1 1 1 1 1 1 135.0626 *135.0668* 135.0668@3.080101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16292 15567 1 1 1 1 1 1 1 1 1 1 135.0668 *135.8909* 135.8909@2.7820742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.8909 *135.8984* 135.8984@2.0069957 1 1 1 1 1 1 1 1 1 1 1 1 1 27008 6251 1 1 8291 1 1 4936 1 1 1 1 8456 1 1 1 1 1 1 42449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3912 1 1 1 1 1 1 1 1 1 1 1 1 1 135.8984 *135.8998* 135.8998@2.0524127 128960 201660 178038 184302 191998 171410 210945 198541 177743 176742 181156 183456 176585 138256 212350 181783 188784 212090 162164 177543 203632 189276 163648 194638 193122 202555 181010 155218 180129 198847 150086 167453 140899 163648 185189 187381 149779 178207 174497 166923 184408 185350 165459 137814 141593 156240 187295 197525 181453 179667 184023 202037 181825 156600 177655 169803 179654 170577 158770 168473 198946 195370 172082 188430 189674 194858 191476 185146 158731 176267 200923 194866 165934 155356 189610 168652 185844 187208 187973 190169 184097 194792 190071 181561 200769 210500 197400 198996 145783 170110 135.8998 *135.8999* 135.8999@2.1976714 71888 1 1 1 1 1 1 1 1 1 32561 1 1 8450 1 1 1 1 1 16956 1 1 1 1 1 1 1 1 1 1 1 1 12892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17233 23095 1 13031 1 1 1 1 1 1 1 1 1 1 1 13962 1 1 135.8999 *135.9* 135.9@1.088736 1 1 1 1 1 1 1 1 1 1 9004 16552 1 1 1 1 23966 1 1 1 14644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.9 *135.9003* 135.9003@1.666577 53989 1 1 1 49091 1 1 12550 1 1 1 66062 1 22761 14377 37328 49689 23604 1 12938 7387 61003 40998 52589 1 1 40294 52988 49699 41474 36648 34034 46481 22913 43799 43716 28523 39389 27873 47270 48400 37202 45766 1 36753 20536 32544 1 16121 47412 36097 41045 22894 30979 31812 35789 1 1 1 42161 45372 20345 41009 1 36983 36944 1 1 33399 44550 22615 28914 8476 1 36314 29791 37406 39429 15427 9156 37531 30160 32151 27221 16804 30555 22355 29393 14923 1 135.9003 *135.9004* 135.9004@2.7532082 1 1 1 1 1 1 1 1 1 1 1 1 1 30115 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 9528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8460 1 1 135.9004 *135.9004* 135.9004@1.6975969 16787 1 1 1 1 1 1 1 1 1 1 1 1 27992 44109 1 1 1 1 29050 37706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6421 1 1 1 1 1 1 135.9004 *135.9007* 135.9007@1.448871 11480 1 1 1 1 1 1 1 1 1 1 1 1 28483 16561 1 1 1 1 13465 14751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11115 1 1 1 1 1 1 1 1 1 29390 1 1 1 1 9772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20190 1 1 1 1 1 1 1 1 12588 1 1 1 1 1 1 1 1 1 1 135.9007 *135.9008* 135.9008@1.2253232 13720 12050 1 9831 17008 11114 1 1 19474 22765 19830 23480 27675 23901 19668 19261 20150 1 23260 26612 24436 28108 1 1 1 1 1 8237 1 1 1 1 1 1 1 1 1 1 4713 1 14493 1 1 1 1 1 1 1 14775 1 1 1 1 19124 1 1 1 1 1 1 8185 1 1 1 1 1 1 1 1 12546 1 1 1 1 1 1 1 1 1 13593 1 1 1 1 1 1 1 1 1 1 135.9008 *135.9009* 135.9009@1.0569847 1 1 1 1 21591 24001 14810 1 24294 25096 23076 7895 20519 1 29250 19177 4166 8645 28379 30105 7830 19853 27065 22063 1 7943 1 7471 1 10287 10348 11421 11938 17226 15543 1 10068 9538 13317 12521 12066 9136 12797 14026 5311 1 11124 10010 14512 1 1 12485 11666 12768 14649 12482 10733 11227 13814 14172 7747 1 1 1 6953 8862 1 3956 11303 9211 11290 12807 9965 1 1 7569 1 6180 1 1 9076 8897 9904 9467 8172 9937 1 5763 6361 4195 135.9009 *135.9009* 135.9009@3.8005226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8577 1 1 135.9009 *135.9009* 135.9009@0.68134457 95134 1 1 101937 1 58310 51822 1 1 1 71591 1 1 1 62625 1 75663 70792 74721 1 102127 102992 76936 65901 37054 80274 1 40814 1 1 1 1 52622 1 36394 1 67950 79136 47503 86479 83533 65305 1 1 30771 30064 37889 55303 64255 59411 1 65331 39793 44247 21398 25093 51232 1 87017 42416 1 52622 79750 1 1 1 91416 1 93406 69108 1 31885 68843 50641 1 1 39743 59074 1 1 1 41361 1 27797 48328 1 1 1 30398 46764 135.9009 *135.9009* 135.9009@6.8665543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 135.9009 *135.901* 135.901@1.4562254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13270 1 1 1 1 12938 14554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.901 *135.9011* 135.9011@0.8006073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 53167 1 1 1 13573 1 1 1 1 1 1 1 1 1 1 15759 1 1 1 1 1 1 1 61354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11336 1 1 1 1 1 1 37311 1 1 1 1 1 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 135.9011 *135.9012* 135.9012@3.5787938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 19470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4628 1 1 135.9012 *135.9013* 135.9013@0.91682297 117662 73495 66602 143335 124468 130997 105411 126844 115220 89804 116344 130319 88153 1 81583 88658 125942 94972 130472 121526 118536 126318 110541 132749 116882 104488 103827 93080 101842 99185 113888 106538 48285 70890 75867 14259 113271 27342 90720 72290 74523 125228 65989 67491 154403 94847 160528 125896 105734 113111 11816 93133 91150 73450 70339 74690 82818 89812 110347 84809 106755 137662 124954 120770 91303 111516 93015 93018 96324 117821 119646 120246 119565 123036 9723 52417 98526 126965 34924 37545 75698 113969 103797 65770 128173 110979 111178 122654 84158 99041 135.9013 *135.9013* 135.9013@3.0039625 122546 1 1 1 1 1 1 1 1 1 1 1 1 55762 43420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79104 1 1 1 1 1 150010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160808 93003 1 1 14071 1 88886 1 1 1 1 1 1 1 152975 1 85825 1 1 135.9013 *135.9013* 135.9013@3.7191536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14971 1 1 135.9013 *135.9013* 135.9013@3.0602522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.9013 *135.9014* 135.9014@3.1734293 1 1 1 1 1 1 1 1 1 1 1 1 1 24673 54337 1 1 1 1 1 28238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8449 1 1 5568 1 1 1 1 1 1 1 1 1 1 1 24724 1 1 135.9014 *135.9014* 135.9014@3.3062217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.9014 *136.0041* 136.0041@0.8738185 1 1 1 1 1 2021 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0041 *136.0071* 136.0071@0.8747214 1 1 1 1 1 1 2024 1 2500 1 1 1 1 1 1 1 1 1 1 1267 1 1 1 1 1 1 1 1 1 1 1 1686 1 1 1 1 1 1 1 1143 1 1 1 1 1 1 1 1 1958 1 1 1 1 1 1 1 1 1 1 1 1720 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 1880 1 1 1 136.0071 *136.0128* 136.0128@0.8636325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2870 1 1 1 1 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 4178 1 1 1994 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 1 136.0128 *136.015* 136.015@2.0731971 1 1 1 1 1 1 1 1 1 2936 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 1606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.015 *136.0177* 136.0177@0.82571155 1 1 4825 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 5717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0177 *136.02* 136.02@2.0669067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2827 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 1 1 136.02 *136.0235* 136.0235@0.9588092 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0235 *136.0247* 136.0247@0.7243497 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 1969 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 2091 1 1 1 3918 1 1 1 1921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0247 *136.0257* 136.0257@2.043674 1 1 1 1 1 1 1 1 1 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 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 1 136.0257 *136.0265* 136.0265@0.99995965 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 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 2589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0265 *136.0297* 136.0297@3.3928351 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 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 1 136.0297 *136.0298* 136.0298@1.9823923 1 1 1 1 1 1 1 1 1 1 1832 1 1 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 2875 1525 2376 1 1772 1 1883 1 1 1 1 1 1 1 1 1 1 1 2951 1 1 1 1 1097 2289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2514 1 1 1 1823 1 1 1 1 136.0298 *136.0345* 136.0345@2.913149 1 1 1 1 4728 2937 1 3575 1 1 1 2222 7595 8071 1 3392 1 1431 1 1 5989 1 1 1 2659 4558 1 1 2964 3133 1 1 1 1 1 1 1 5085 1 1 1 1 4699 1 1 1 1 1 1 1 1 1 1 2067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0345 *136.036* 136.036@1.1820858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 136.036 *136.0362* 136.0362@10.296881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1286 1 2540 136.0362 *136.0371* DL-erythronic acid 5099 6498 5137 5627 1 1 1 1 5684 5331 4967 2697 1 1 1 1 9721 12363 5855 6352 3085 3782 4547 5592 1 1 3986 4312 1 1 4477 3807 6612 5564 1 6275 1 1724 5911 6323 9352 7867 1 4923 1 1 3962 4590 8443 6946 8884 6081 6791 6008 7311 9703 7844 8099 13755 9931 7467 7380 7267 7514 9034 6387 11430 7649 8645 9200 1450 1 10147 7532 8286 9659 7183 11378 5913 7652 10702 1 5846 5241 15806 5901 7343 7880 7371 7593 136.0371 *136.0383* Hypoxanthine 134151 132266 78021 79309 83877 83695 95484 97757 77116 76453 116599 113742 99398 98248 136333 138878 113638 114603 100734 100173 97484 95488 154297 160534 77013 76848 50353 47696 89815 90449 81619 79581 71526 71964 114441 112501 139584 135762 161950 163521 142140 137666 55336 55608 79460 79601 110308 105978 130656 130504 70398 69681 114061 112434 161339 160098 72824 72208 156891 157565 107556 108145 118358 120323 94993 94192 126916 126083 95033 92848 94481 93675 95336 95985 59780 60931 69041 70812 183217 178177 89525 88654 88144 90574 124109 123909 52804 56029 86188 87452 HMDB00157 C00262 136.0383 *136.0392* 136.0392@3.1204712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3638 1 1 1 1 1 1 1 1558 1330 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 1 136.0392 *136.0446* 136.0446@3.0980172 1 1 1 1 1 1 1 1 1 1 1 1 3218 1 1 1 1 4651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3350 2414 7614 2614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4596 2615 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 1 136.0446 *136.0504* C3 H8 N2 O4 3020 3310 4166 4035 3127 3678 3892 3558 2786 3110 3150 2916 4703 3949 4251 3951 4264 4793 2730 2825 5001 3853 3337 3112 4872 4778 4268 3555 3115 4490 3413 4760 4848 4349 5851 4380 3921 4923 3257 3340 4812 3839 3951 4239 3988 5600 3618 3903 3850 3686 5744 5062 5465 5076 4527 4902 4450 3713 4994 4852 3489 5188 3335 2890 5594 5236 4640 3979 5480 4532 3950 4018 3996 3457 2843 3949 3345 3321 4420 4721 5263 4841 3725 3290 3156 4439 3904 4876 3832 3929 136.0504 *136.1358* 136.1358@2.6555915 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 1100 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.1358 *136.9009* 136.9009@0.773793 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 1 1 1 1 1539 1 1 1 1 1 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 1 136.9009 *136.9014* 136.9014@3.0198324 1711 1 1 1 1 1 1 1 1 1 1 1 1 3534 1421 1 1 1 1 1 2208 1 12142 1 1 4048 1 1 1 1 1 1 1 1 1 1 1 1 2176 1 1 7435 1 1 1 1 1 4205 1 1 1 1 2458 5314 8304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3199 1 1 1 1 1 1 1 1 1 4623 1 1 136.9014 *136.9014* 136.9014@0.80716705 1 1 1 1 2248 1 1 1 1 10120 1 1 1 5293 3852 4818 3869 1 1 2116 1 2152 1 1503 1 2330 1 2254 1 1 1 1 3599 1 2114 3673 1 1 1 1 7892 1774 1 6344 8940 1 1 1 1 1 1 1 1 3198 7138 1 2560 1 1726 2090 1 1 1 5579 1 1 4154 1 2149 1636 1 8188 1 1 7340 1 1 1 1 1 1 1 1 1387 1 1 2007 1 6397 1 136.9014 *136.9014* 136.9014@1.6992966 1 2322 1 2503 1 2768 1 2949 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 1299 1 1695 1686 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 1 136.9014 *136.9015* 136.9015@3.4849288 1 1 1 1 1 1 1 1 1 1 1 1 1 1852 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 1 1 1 1 1 1 1 1 1 1 1 136.9015 *136.9015* 136.9015@0.695058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7123 1 1 1 1 1 1 1 2168 1 1 1 1 1 1 2777 3361 1 1 1 1 1 1 1 2474 1 1 1 1 1 1 1 1 1 2779 1 1 1 1 1 1392 1 1 1 1 1 1 1 1 1 1 2002 1 1 1 1 1 1 1 1 1 1 1 1 1681 1 1 1 1 1 1 136.9015 *136.9015* 136.9015@3.0223398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.9015 *136.9015* 136.9015@1.3257331 1 1 1 1 3721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.9015 *136.9016* 136.9016@1.9699482 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.9016 *136.9017* 136.9017@3.6497753 1048 1 1 1 1 1 1 1 1 1 1 1 1 1319 1376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1543 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1078 136.9017 *136.9018* 136.9018@0.82207197 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.9018 *136.9019* 136.9019@2.92595 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 1424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.9019 *136.9019* 136.9019@2.180672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1901 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 2237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.9019 *136.9761* 136.9761@2.0533302 1 1 1 2277 1 1 2367 1407 1 1 1 1 1 1 1 1 1 1 2182 1 1 1 2086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1525 1 1 1 1357 1 1 1 1 1 1 2959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2511 1 1 1 1135 1 1 136.9761 *136.9766* 136.9766@2.021973 1 5411 1 1 3170 5923 2112 3839 2825 4784 1 1 2591 1 1 1 1 2852 2847 2800 3359 3015 1 1 2417 4231 1 1 2088 2724 4596 1 2232 1 1 1 3683 1 1 1 2572 1 1 1 2359 3186 3322 2944 1 1 1 1 2305 4781 1 1 1 1 1 2443 2404 1 2682 3472 1 1 1 1 3063 1 1 1 1 2286 2688 2730 4007 3011 1485 1 5020 2582 3123 1 1 2176 1 2671 1 1 136.9766 *136.9766* 136.9766@0.6681092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1585 1 5199 3347 1 1 1 1 1607 1 1 1 1267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4788 1 1 1 1 1 1 1 1 1 1989 1 1 1 1 1 1708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 1 136.9766 *136.9772* 136.9772@1.3450763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.9772 *136.9773* 136.9773@1.9647568 1 1 1 2964 1432 1 1 1 1932 1 1 1 1 1 1 1 1 1 1 2055 1 2183 2164 3498 1 1 1377 1 2341 2016 1 2744 1 1 1 1 1 1 2962 1 1575 1 1 1 1 1 1 1817 1 1 1 4074 1 1 1 1967 1 1 2786 3060 1 1 2438 1 1 1 2085 1 1596 1 1 1 1 1 2594 1 1 1 1 1 1 1 1691 2103 1590 1 1 1520 1 5048 136.9773 *136.9777* 136.9777@1.6676396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 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 1 1 1 1 1 1 1 1 1 1 136.9777 *136.9777* 136.9777@1.2966578 4024 1 1 3073 1 1 1 1 1917 1 1 1298 4542 1 1 1 1 1 1 1 1 1 1315 2221 1 1 2200 3125 1 1 1863 1 1 2328 1 2543 1 1 1 1748 3741 1 1 2997 1 1 1069 1 1 1 1 2423 2285 2477 1 1 1 1 1543 2845 1864 1 1 1 2608 1737 1 2713 1 1046 1 1 1745 1 4047 1 2351 1 1 1 1 1 1 1 1137 1 1 1 1 1450 136.9777 *136.978* 136.978@1.4318602 1 1 1 1 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 1620 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 1453 1 1 1 1 1 1 1751 1 1 1 1 1 1 1 1 2408 1358 1 1 1 1 1299 1363 1 1171 1 1442 136.978 *136.981* 136.981@1.0909666 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.981 *137.0253* 137.0253@1.0738689 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.0253 *137.0398* 137.0398@2.6956487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 137.0398 *137.8914* 137.8914@2.7962806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.8914 *137.8962* 137.8962@2.1486151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.8962 *137.8975* 137.8975@1.7248373 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7145 1 1 1 6727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.8975 *137.8978* 137.8978@1.2451953 1 1 1 3616 1 4016 1 1 1 1 1 1 1 1 1 4790 1 1 1 1 1 1 1 1 1 1 1 3536 1 1 1 1 1 1 1 1 1 1 1 5105 1 1 6266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.8978 *137.8979* 137.8979@0.6478102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.8979 *137.898* 137.898@1.6707228 1 1 7538 1 17436 17765 1 1 1 1 1 1 1 14952 7177 1 1 1 1 15110 14416 1 1 1 1 13976 1 2405 1 1 1 1 1 10755 1 1 1 1 8737 1 1 9672 1 9256 1 1 9412 6739 1 1 1 1 13166 1 1 6889 1 1 6482 3386 1 8700 1 1 1 1 1 1 5243 1 1 2622 1 1 1 3616 1 1 1 1 1 1 1 1 10189 6238 8472 1 1 1 137.898 *137.8982* 137.8982@0.68450814 20763 1 1 1 1 1 24884 1 1 25391 1 15160 1 28072 1 9323 1 1 1 16709 1 1 1 1 18986 1 1 1 1 1 13550 1 1 15181 1 1 1 1 1 15136 1 1 1 1 1 1 1 1 1 1 1 9388 1 1 1 1 1 1 1 1 1 1 1 1 6820 1 1 1 1 1 1 1 1 17695 1 1 1 1 1 1 4805 1 1 1 1 21401 1 1 1 1 137.8982 *137.8983* 137.8983@0.9166173 1 1 1 4476 1 1 5612 5415 1 1 1 1 1 31974 1 28080 1 1 1 1 1 6478 12467 4208 2190 1 1 1 1 1 1 4060 1 1 1 24837 4054 26101 1 13801 16756 1 1 1 1 1 1 1 8891 1 1 1 1 15706 1 1 1 1 1 1 1 1 1 1 7445 1 1 1 1 1 1 1 1 1 1 1373 1 1 1551 1 27096 1 1 1 1 1 1 1 4511 1716 137.8983 *137.8983* 137.8983@2.6799395 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 1 1 1 1 1 1 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 1 1 1 1 1 137.8983 *137.8984* 137.8984@3.3168578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6245 1 1 2800 1 1 1 1 1 1 1 1 1 1 1 7149 1 1 137.8984 *137.8984* 137.8984@3.480774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4478 1 1 1 1 1 1 1 1 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 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 1 137.8984 *137.8985* 137.8985@3.0464966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7535 1 1 1 1 1 1 1 1 1 31233 1 6203 1 1 1 1 1 3723 1 1 31030 1 1 1 1 1 1 30330 1 1 43772 1 29887 1 1 1 1 1 18580 1 1 1 1 1 1 1 1 1 1 1 1 10009 1 29603 12163 1 1 1 29767 1 1 1 1 1 1 1 8868 1 1 137.8985 *137.8986* 137.8986@3.2045505 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4352 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 1 137.8986 *137.8989* 137.8989@3.5891821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 137.8989 *137.999* 137.999@0.83598626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3567 4548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.999 *137.9997* 137.9997@5.8217726 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 1 1 1 1 1 1 1 1 1 1 1 137.9997 *138.0007* 138.0007@1.1059122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4376 4485 1 1 1 1 1 1 1 1 1 1 138.0007 *138.0064* 138.0064@1.9477621 1 1 1 1 1 1 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 1 1 1 2253 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 1 138.0064 *138.007* 138.007@2.0690556 1 1 1 3805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4233 1 1 1 1 1 1 1 1 1 1 1 7167 1 1 1 3057 1 3760 1 1 1 1 1 1 1 1 1 1 1 1 1 2269 1 1 1 1 5863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3277 1 1 1 1 1 1 1 1 1 4999 1 138.007 *138.0071* 138.0071@0.9218419 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 1504 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 1 138.0071 *138.0072* 138.0072@0.74112874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2674 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 3523 1 1 1 1152 3071 1 1 1 1112 1 1 1 1 1 1 1976 1 1 1 1 1 1 1 2315 1 1 1 1 1 2379 1 1 1906 1 1 1 1 1 1 138.0072 *138.0072* 138.0072@2.9418402 1 1 1 1871 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 3570 1 1846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0072 *138.0073* C5 H2 N2 O3 1 1 1 1 5326 1834 7177 3246 6582 1 3175 1 6746 4004 2725 2429 7244 1 6374 7417 1492 3521 1 2884 3882 1992 1 1 1 2142 4567 6059 3741 1 1 3867 2862 4613 7726 3567 2850 7368 1 5331 2656 1 4871 1 5708 1 2499 4126 1 3983 1464 6252 4240 4843 2226 4511 3378 7509 1 3998 9215 3264 4792 1 3330 6907 2671 8309 2918 6750 3255 4489 5591 6586 1 8597 3346 6573 1 3291 8131 3952 3616 6945 5902 6304 138.0073 *138.0073* Fosfomycin 2197 1 2612 1934 1 2027 1 1413 1650 1 1 1 1 1 3219 1 2795 1 1 1 2405 1758 2008 2444 1598 1 1 2041 1 1 1 1 2653 1 1 5041 2690 2716 1 1 1 1 1 2394 1602 2730 1 1 1 2177 2877 1340 2406 2605 2537 1396 1743 1 2474 1447 1 2419 2214 1 4969 1 1 1 1 1039 1 1 1 2684 2638 2128 1 1 1 1 1 1 1 1 2224 2876 2128 3121 1 1 C06454 138.0073 *138.0079* 138.0079@9.2750845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0079 *138.0081* C4 H7 Cl O3 4323 1 1 3677 2224 1676 1551 1 1 1 3694 7419 1 2547 3960 8732 8133 4050 1 1 4541 5011 8115 4716 1 4137 1 4593 3193 1 2073 2416 1 1 1 2794 4937 3255 1 1227 6873 1 1 4333 1 1608 4174 4917 2290 1 2911 1 1 1581 4302 1 1 1 3015 5127 6019 1 1 4408 1 1 1 10606 4353 1 1 1 1 1 2053 3211 1 4391 6590 1 4819 6185 4102 3566 1 3113 6603 8464 1896 3193 138.0081 *138.0081* 138.0081@1.267333 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0081 *138.0095* 138.0095@3.0564966 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 3465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0095 *138.0096* 138.0096@1.2648478 1 1 1 2980 1 1 1 3172 1 1 1 6036 1 1 2397 1 3790 1 1 1 4471 2779 1 1 1 1 1 1 1 1 1 1 4161 1839 1 1 1 1 1 1 1 1 1 1 1616 1 1 1 4500 2675 1 1 1 1 6152 1 1 1 1 3466 1 1 1 3929 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 3458 138.0096 *138.0098* 138.0098@1.5558797 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 1880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6195 4440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0098 *138.0131* 138.0131@1.0661961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0131 *138.0136* 138.0136@3.9224622 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0136 *138.0141* 138.0141@3.1218698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 138.0141 *138.0156* 138.0156@1.5884289 1 1 1 1 1 1 1 9026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3017 1 1 1 1 138.0156 *138.016* 138.016@1.9356982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1690 1 1 1 1 1 2704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.016 *138.0193* 138.0193@3.3441064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 138.0193 *138.02* 138.02@1.9722128 1 1 8294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6742 1 6986 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 14458 7889 1 1 1 1 1 1 1 1 1 1 8726 1 1 1 1 1 14489 1 1 1 1 11197 1 1 1 1 1 1 1 1 1 11632 1 1 1 1 1 1 138.02 *138.0202* 138.0202@1.0659099 1 1 2090 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 1577 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 1 138.0202 *138.0208* 138.0208@0.9868502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 138.0208 *138.0214* 138.0214@1.3782016 1 1 1 1 1 1 1 4301 1 1 1 1 6095 11414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8541 1 1 1 1 1 1 1 1 1 1 1 1 5787 1 1 1 1 1 1 1 17173 11981 1 1 1 1 1 1 1 1 11885 1 1 1 1 1 1 16577 1 1 2864 1 1 1 1 1 138.0214 *138.0236* 138.0236@1.9652793 1 1 1 1 1 1 1 1 1 1 6184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3848 1 1 1 5145 1 1 1 1 1 8176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0236 *138.0261* 138.0261@0.9984071 1 1 1 1 1 1 1975 3062 1 2808 1 1 1 1 1 1 1 1666 1 1 1 1 1 1 1 1 1 1 1 1678 1 1 1 1 1 1 1 1 1 1 1488 1 1 1 1 1 1 1 1 1 1 1 2573 1 1 1 1 1 1 1 1 1 1 1 1 4712 1 1 1637 1 1 1 1926 1 2096 1 1 1 1 1 1 1 1883 1 1 1 1 1 1 1 138.0261 *138.0263* 138.0263@1.4452429 14884 1 1 1 1 1 20132 1 1 12155 1 1 2457 1 1 1 1 1 1 2074 1 1 1 1 1 1 1 5740 1 1 1 1 1 1 1 1 1 1 4362 1 9491 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 17258 1 1 1 1 138.0263 *138.0276* 138.0276@0.94426477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4467 1 1 1 1 1 1 1 1 1 1 1 1 1 2755 3673 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 4452 1 1 1 1 1 2032 1 1 1 1 9695 7930 1 1 1 1 1 1 1 1 1 1 138.0276 *138.0276* 138.0276@1.1932828 1 1 1 1 4506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2278 1 1 15068 1 1 1 1 1 138.0276 *138.0277* 138.0277@1.9704622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7068 6122 1 1 1 1 1 5853 1 1 1 1 4057 1 1 1 1 1 6217 1 1 1 1 1 1 1 1 7463 1 1 1 1 1 1 1 1 1 1 1 1 1 2402 1 1 1 1 1 1 4231 1 1 1 1 9257 1 1 138.0277 *138.0291* 138.0291@1.389118 1 1 1 1 1 1 1 6179 1 18741 15426 1 14522 17251 1 1 1 1 17564 8495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21387 22069 18516 1 1 16472 1 1 34261 2616 1 1 1 1 1 15132 1 1 1 1 1 1 44328 46322 1 1 1 1 1 1 10063 18314 1 1 1 1 1 1 1 1 1 1 1 1 24748 21312 1 1 1 88517 1 1 138.0291 *138.0297* 138.0297@2.9595969 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1800 1 1586 1 138.0297 *138.0306* 138.0306@0.97626865 1 1 1 1 1 1 1 1 1 1 11636 11500 1 1 1 1 1 1 4171 4195 1 1 1 1 1 1 1 3611 1 1 1 1 1 1 13384 13678 1 1 1 1 1 1 1 1 1 1 7481 5482 6714 4172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4030 1 3158 1 1 1 1 1 1 1 1 1 1 1 23258 23212 1 1 1 1 7479 4816 7829 5853 1 1 138.0306 *138.0313* m-Salicylic acid 13092 18709 1 1 1 3566 17851 15988 36689 1 1 153751 13107 14502 1 1 7818 6696 43017 42614 1 1 1 1 1 1 1 1 1 3581 1 1 1 1 227897 225024 3533 1 56397 55228 88596 117507 43678 29748 7682 13037 1 1 1 1373 4061 4032 1 111268 1 1 1 1 1 1 124249 128834 1 1 7038 9222 1 1 41460 44232 1 1 9471 6515 6120 9681 1 1 1 1 7286 1 57038 56848 10831 1 301074 234356 1 1307 138.0313 *138.0316* 138.0316@1.6702545 1 1 1 5704 3470 1 1 1 1 1 1 1 1 1 1 1 1 4780 1 1 4858 1 1 1 1 1 1 1 1 1 6002 5631 1 1 1 1 1 4154 1 4473 1 1 1 1 1 1 1 1 1 1 1 1 1 3428 1 1 4196 1 4491 4882 6187 1 4258 1 6482 7444 1 1 1 3403 1 1 1 1 1 1 1 1 1 1 6963 7139 1 1 3277 1 1 1 1 8940 138.0316 *138.0329* 138.0329@1.967489 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 138.0329 *138.0351* 138.0351@2.9183629 1 1 1 1 7103 6506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6171 1 5293 11185 10200 1 1 1 1 1 1 8770 1 1 1 1 6067 1 8961 1 6285 1 1 1 1 10467 1 1 1 5707 1 1 1 1 1 4782 1 6410 7053 1 12673 1 1 1 3587 1 1 1 1 5356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0351 *138.0371* 138.0371@2.4563415 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3395 1 3953 1 1 1 2855 2732 1 1 1 1 1 2178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0371 *138.0377* 138.0377@2.832433 7142 8456 8043 4576 2703 2365 9231 8900 7001 5684 9372 9165 1 5495 8647 9790 12133 10193 8310 9597 12968 11224 7292 1 6069 1 4838 4728 1 4969 13221 11173 4834 9346 1 9052 4104 7818 1948 1 7772 1 1 1 1 4537 8425 8175 3571 10584 7392 8410 1 6501 5451 4765 9896 9428 1 1 1 1 12107 2976 6283 3116 8551 9318 10924 8485 1 1 1 1 11345 9860 1 1 1 4669 1 1 1 2241 1 7518 2419 1 6102 7736 138.0377 *138.0381* 138.0381@1.6732118 1 1 5718 1 1 1 1 1 1 1 1 1 1 1 1 1 5300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4128 1 1 1 1 1 1 4933 1 4183 8333 6853 1398 1 1 1 10030 10307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3161 3495 1 17281 16642 1 1 1 1 1 1 1 1 8385 1 138.0381 *138.0398* 138.0398@2.4547317 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 3369 1 1 1 1 1 1 3547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0398 *138.0412* 138.0412@2.9187548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22349 17524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0412 *138.0625* 138.0625@1.1788352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1103 1071 1 1 1 1 1 1 1105 1208 1 1 1 1 1 1 1 1 1 1 1 1 1 1471 1 1 1 1 1 1 1 1 1 1 1939 1838 1 1 1 1 1 1 1 1 2301 1863 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 1696 138.0625 *138.1292* 138.1292@1.2038137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2641 1 1 138.1292 *138.8914* 138.8914@2.9575572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4721 1 1 1 1 1 1 4719 1 2970 3095 1 1 3623 1 2216 1 2643 1 1 1 1 1908 138.8914 *138.8937* 138.8937@2.958584 1 1 1 1 1 1 1 1 1 1 1 1 1 2800 2275 1 1 1 1 1 1 1 1 1 1 1566 5036 2748 2663 1 1 1 1180 1 1 1490 1 4152 3358 1793 1 1 5556 2714 1 1 1 1 1 1 2045 1 1 1 1 1 1 4156 1 1 1 1 1 1077 1 2827 3565 1124 1724 1 2488 4920 2480 5298 2171 4071 1 1 1 1 1 3339 1 3960 1 1 1 1 2342 1 138.8937 *138.8965* 138.8965@2.0713286 1 1 1 1 1 7718 1 1 1 1 1 2353 1 6514 1 1 6844 1 1 1 1 1 1 1226 1 1 1 1 1 1 1 1 1 1 1 6118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5911 1 1 1 7303 1 1369 1 1 1 1 1159 1 5718 1107 138.8965 *138.8971* 138.8971@2.9871266 1 1 1 1 1 1 1734 1 1 1 1 1 1 1244 2837 1 1 1 1 1 3166 1 1 1 1 1141 1756 1 1 1 1 1 2383 1 2045 1031 1 1 1357 1 1 1 1 1 1913 2040 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 2667 1 1 1 2520 1 1 1 1 1 1 1408 138.8971 *138.8988* 138.8988@0.91423744 4823 1 1230 1 1 2153 1 1 1 1 1 1 1 1 2893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1964 1 1749 1 1 1 2256 1752 1 1830 1 1 1 1 1 1 1879 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 1107 1 1 1 1 3020 1 1 1 1 1 1 138.8988 *139.0227* C4 H10 Cl N S 1 3330 1 1 3692 2571 1 1 3296 1 1 1 3417 1 1 1 3262 3024 3064 3445 3824 3617 3889 2224 1 1 1 4401 3642 3333 3748 2688 1 1 4117 1 2779 7936 5517 1 3641 1 2444 1 2323 2228 2540 4302 1851 6495 1 2810 1 4014 1 2987 3411 3253 1763 1 1 1 2656 1 1 1477 1 3296 1 7731 1 1 3532 1 3914 4274 2319 2166 1 1 2317 4303 3287 1 1 1 2703 1 1 1 139.0227 *139.0227* 139.0227@2.0475602 1 3586 1 1 2763 1 1 1 2590 1 1 1 1 1 1 1 1 1494 1 3807 1 1 1 1940 1 1 1 1 3804 3226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3254 1850 1 1675 1 1 1 1 1 1 1 1 4019 1 1 1 139.0227 *139.0234* 139.0234@1.3080674 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2177 1917 139.0234 *139.0239* 139.0239@0.66297644 1 1 1 1955 4530 1 1 1 1 3426 1 1 1 5735 3434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2107 1 1 1 1 1 1 2650 2201 1 1 7652 1 1 1661 1 1 1 1 1 1946 1 1 1 1 1 1 1 1 1 1 1 4253 1 3645 1 1 1 1 3679 1 1 1 1 1 1 1 1 1365 1 1 1 1 3549 1698 1 1 1 3967 1 1 139.0239 *139.0242* 139.0242@2.9623811 1 1 1 2998 1 2711 1 2567 1 1 1 1 1 1 1 1 1 1 1541 4191 1 1 1 1188 2442 1 1 2294 1 1 2629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4078 1 1 1 7390 1 1 1 1 1 1 3046 1 1 1 2132 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 1 139.0242 *139.0244* 139.0244@0.7057466 1 1 1 1 1933 1 1 1 1 1 1 1 2606 1 1 1 1 1 1 1 1 1 1 1 1574 1 1646 1 1167 1664 1352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4454 2913 1 1 1 1 1 1 1 1 1 1 1 4289 1 1 1 1 1 3490 1 1 1 1 1 1 2813 1 1 1 1 1 1 1 1 3218 1 1 1 1 1 2000 1 1 139.0244 *139.0245* 139.0245@1.3968215 2101 1 1 1 1 1 1 1 1 1 1 1 1 1 1395 1 1 1 1 1188 1403 1 1806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3508 1 2038 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 1748 1 1 1 1 1 1 1 1 1 2878 1 1 1 1 139.0245 *139.0251* 139.0251@3.3845427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 139.0251 *139.0253* 139.0253@1.1028357 1 1 1 1 1 1 1 1 1 1 1 1 1 1065 1296 1 1315 1 1 1 1606 2047 1 1 1 2126 1 1 1 1 1 1 1 1751 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1849 139.0253 *139.0254* 139.0254@0.8774826 1 1 1 1 1 1 1 1 1 1 1792 1 1 2940 1 1 1 1 1 1208 1 1837 1 1 1 1 1 1 1973 1 1 1486 1 1 1 1 1 1 1 1 1 2229 1 1 1 1 1 1 1 3251 1 1 1645 2083 1 1 1 1 1 1 1 1 1 1 1737 1531 1 1 1 1 1 1 3320 1 1 2587 1 1 1 1 1 1 1 1268 1 1997 1 1103 1 1459 139.0254 *139.0255* 139.0255@1.6620853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 139.0255 *139.0264* 6-Hydroxynicotinic acid 33186 33849 35357 34743 35892 35072 35019 34739 31435 30372 36020 36771 38928 37736 38076 37029 36819 37916 30674 30564 39500 40185 34212 33078 40465 41863 36426 34312 35334 34989 45206 44088 42348 43533 41860 40777 42361 41246 35824 34278 37554 40109 39329 37480 43997 44456 36165 35287 40095 38087 48178 48780 44829 44136 44748 46421 44226 46625 46603 44368 43104 43041 39569 39561 57125 54502 45258 46426 37020 36484 33403 33675 41386 39005 37070 36468 36846 33325 48015 49970 49165 47995 39993 39879 42699 41808 41921 42546 45556 45358 C01020 139.0264 *139.029* 139.029@1.403636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.029 *139.8907* 139.8907@2.0767577 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.8907 *139.8924* 139.8924@2.9404469 1 1 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 1 139.8924 *140.0174* 140.0174@0.95873445 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 1756 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 1 140.0174 *140.0271* 140.0271@1.9926434 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 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 1 140.0271 *140.0275* 140.0275@1.8435249 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.0275 *140.0282* 140.0282@1.9932613 2460 1 1 1 1 1 1 1 1 1 1 1 1 2875 2361 1 1 1 1 1 1 1 1 2350 4229 1 1 1 2432 3452 1 1 1 1 1 1 1 1 1 1 1256 1 1 1 1 2551 1 1 1 1 1 1 1 1 4963 2831 1 1 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 1 140.0282 *140.0283* 140.0283@2.1170886 1 1 1 1 1 1 3136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1528 1 1 1 1 1 2119 1 4015 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 1617 1 1 140.0283 *140.0313* 140.0313@2.0166116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1861 1 1 140.0313 *140.0317* 140.0317@1.9671757 1 2574 3222 3479 2630 2074 4977 4314 1 1 4880 4350 1 1 1 3315 2691 1 3671 3443 4221 3325 1 1 1 3613 9369 4820 1 1 3443 4690 3377 3953 1 6002 1 2882 2917 2712 1 2962 1 5901 1 1 4713 1 5090 4757 3679 1 1 3317 1 1 1 1 1 1 6933 7548 3336 5203 4565 4096 4440 5537 3225 4459 4970 4692 3213 4262 2264 2922 3742 4944 3970 1 3863 4763 5355 4561 6985 6221 7057 6497 10293 3138 140.0317 *140.0318* C3 H8 O6 1 1 1 2079 2279 3954 1 3877 3393 2077 4219 4428 1 1745 2084 4215 2415 3155 1 3522 2610 3326 1808 1732 3422 2955 5284 3461 1 3414 2742 2480 3592 3077 2582 2871 5494 2562 2437 2361 4323 1 1 1 2904 1 2575 4307 4827 3133 3688 3446 3644 2210 4026 1 1 2740 1 1 1 1 3125 2964 4672 4319 3548 3526 2789 3812 5981 4932 3816 5896 4160 2718 3737 5424 4013 4926 5311 3993 1 1 6970 6160 5137 1 4721 3777 140.0318 *140.0328* 140.0328@1.7021729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15485 1 1 2401 1 1 1 1 1 1 1 1 1 1 1 1 5716 1 1 1 1 1 2571 1 1 1 1 1 52222 57093 1 1 1 1 1 1 1 1 5609 1841 140.0328 *140.033* C3 H8 O6 - 1.520547 68495 63390 110880 119596 82824 106737 144369 152652 85788 88796 167695 164518 104786 104463 112439 113371 104969 115544 143612 133373 135628 124143 61482 57859 75570 75257 135067 129468 79049 81570 110882 106474 153387 158640 91892 91353 121580 99724 78358 86891 102001 107872 110284 110001 52987 63968 110508 113567 162109 163591 109054 102512 108847 103605 63883 64836 55321 64059 58928 59771 224621 202438 114916 115586 159195 123202 97760 109672 131242 130489 143677 149586 117615 111478 92576 97663 156513 158882 75382 89265 142243 144575 173071 172672 220949 220109 167320 182669 101152 96234 140.033 *140.0402* 140.0402@0.7960227 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 140.0402 *140.0835* 140.0835@1.1963856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 140.0835 *140.1328* 140.1328@1.5171471 1 1 1 1 1 1 1 1 1 1 1627 1823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1328 1 1 1 1 1 1 1 1720 1 1 1 1 1 140.1328 *140.951* 140.951@1.9688869 1 1 1 1 1 1 1 2964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.951 *141.0171* C4 H3 N3 O3 12563 13449 19998 18298 18645 16916 28848 30704 17739 17503 30179 30718 21441 18778 21337 21714 22344 23281 25066 24936 25255 28276 14562 14737 15021 14617 24534 21870 17241 16340 21654 23082 28006 30551 19622 20418 23538 23600 17828 19603 25405 22403 23451 22153 13187 12535 21243 23990 32193 34579 26023 27115 26925 26631 17870 16835 14218 14313 16370 15408 48606 47930 27426 25340 30098 34679 25967 27044 26502 27643 35238 35481 27893 26772 23635 24846 34999 35693 25782 25611 31524 28938 33308 36495 40889 47791 39654 40700 20736 22045 141.0171 *141.0199* 141.0199@1.9618902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141.0199 *141.0202* 141.0202@2.0600889 1 1 1 2866 1 2441 3424 1 1 1 1 1 1 1 1 1 1 1 1 1 1589 1 1 1 1 1 2321 1 1 1 1 1 1 1 1 1 1 2728 1 1 1 2532 1 1 1 1 1 3212 2859 1757 1 1368 1 1 1 1 1 1 1 1 2194 1 1 4530 1 1 1 1 1 1 1 1 1 1 2016 2153 1 1 1 1 1 1 1 1 1 1108 1 1825 2458 1 141.0202 *141.0234* 141.0234@1.968551 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 2969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1677 2095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1206 1 1 3282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1236 1304 1 1418 1 1352 1 1 141.0234 *141.0244* 141.0244@1.6016387 1 1591 1 1 5105 1 1 4861 1 1 5584 1 1 2734 1 1 1 1 1 1 1 1 1785 1 1 2403 1 1 1 1 1 1 1 1 3461 1 1 1 1 1 1 1 1 1 1 1 2412 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 2143 1 1 1863 1 1 5759 1746 1 1 1 2029 1 1 141.0244 *141.0253* 5-Acetyl-4-methylthiazole 16701 12159 1 11624 3814 26769 16615 13123 7740 18476 12624 18513 1 11828 12477 10675 9516 9988 15852 27567 13876 12372 6024 7664 15626 7494 14364 12886 16477 6925 11468 12596 1 17459 10990 8620 12357 13192 10924 18205 10841 8072 9488 13128 5648 5118 10383 9192 14861 16897 12385 9350 25419 9464 6715 6651 5671 5221 6531 1 23084 21116 10860 10933 14811 13709 11014 12489 15774 11811 15143 17877 13770 10175 9362 7653 1 17828 8151 6480 14020 15565 13992 1 27425 22431 16965 16216 10650 7464 141.0253 *141.0285* 141.0285@1.6287293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 2698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141.0285 *141.0326* 141.0326@2.1653264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2408 1 1 1 1 1 1 1 1 1 1 1 1 1 141.0326 *141.0407* 141.0407@2.1820843 2105 1 1 3131 2123 1 3139 1 1 1 1909 2124 1 1906 2490 2056 2406 3271 3773 2592 1 4144 2036 1 1 1 4275 1 1 1 1 1650 1 2141 2955 1 1 3281 1 1 3030 2345 1 2683 2049 2428 1 1 4875 4534 1 3227 3680 2036 1 1 2343 3419 1 1891 2481 3654 2345 3866 2800 2478 1 1 2117 5492 3494 4079 1 1 3425 3721 1 1 2119 1 1 2707 1 1 6137 4325 4058 2969 3286 3497 141.0407 *141.041* 141.041@1.1797608 1 1 1 1 1 1 1 1047 1 1 1134 1 1 1 1 1 1249 1008 1 1070 1 2519 1122 1084 1 1 1082 1 1 1 1 3218 1261 1273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1097 1105 1 1 1 1 1 1 1 1 1 1 1286 1600 1865 2019 2369 1660 1 1 1 1 1 1 1083 1 1035 1 1691 1211 1 1 1269 1203 1 1032 1092 1 141.041 *141.0448* 141.0448@2.21603 1 1 1 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 1 1 1 3125 1 1 1 1 1 1 1 1 1 1 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 8965 1 1 1 1 1 1 1363 1 1 1 1 1 1 1 1 1 2837 1 1 1 1 1 141.0448 *141.0524* 141.0524@2.9622943 1 1 1 1 3026 2971 4400 4082 2346 1 5677 5979 1231 1721 1 1651 1 1 2519 2216 1 1446 1 1 1 1 1 1 1 1 1 2488 2896 3038 2623 1 1 1 1 1663 2776 3811 1 1 1 1 1 1 1 1 1 1 2685 4444 1 1 2856 3148 1585 1 6930 7184 1 1 7598 8022 4873 5146 7538 7878 4698 4028 3786 3963 7774 7085 7173 7441 2430 2711 2651 2184 1 1082 9140 9656 3546 3982 2088 2332 141.0524 *141.0887* 141.0887@6.4546947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1409 1 1 1 1 1 1 1 1 1 1 141.0887 *141.9719* 141.9719@1.5347161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1708 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141.9719 *141.9733* 141.9733@1.3999493 1 1 2187 1 1 2374 1 1349 1 1 4550 5339 1 1 1496 1 1 1 1 3576 1 4373 2399 2415 1 1 1 1 1 1 1 1 1 3805 1 1 1 1 1 1935 1 1 3437 1 1 1 1 1 1 1 1 1 1 1 1031 1246 1 1 1115 1 1 5260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141.9733 *141.9769* 141.9769@1.3941251 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 1 1 1 141.9769 *141.9959* 141.9959@1.065583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1950 1 1 1241 1 1 1 1487 1004 1 1189 1 1 1 1 1 1 4291 4120 1 1 1 1 1 1 1 1 1 1 141.9959 *142.0206* 142.0206@1.4217495 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0206 *142.042* 142.042@2.0260227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.042 *142.0475* 142.0475@2.0367794 1 1 1 1 2300 2511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2133 2541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8110 8113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3402 3566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0475 *142.0585* 142.0585@1.1908505 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0585 *142.0625* 142.0625@1.8177382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0625 *142.9372* 142.9372@0.76836705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.9372 *142.9426* 142.9426@0.670692 1 1 1 1 1 18016 6658 1 1 1 1 4903 5980 1 9897 26574 4206 4938 2703 5623 1 29371 27586 5078 1 1 3433 1 28070 4307 2609 4282 3081 5583 26341 10034 2785 4586 1 3359 1 17939 28662 20658 4026 1 20065 1 2621 1 1 1 1 1 1461 1 1 23324 1 1759 5321 1 1 1 29683 1217 7287 3322 1 1 1 2213 1 2388 1 1 1 22049 2425 4575 1 1 30058 1 1 24937 30028 1690 2751 1 142.9426 *142.9426* 142.9426@2.0271413 4108 1 22654 1 1 1683 1 1 1 1 1 1 1520 1 1 4496 6743 1 2769 1 1 1 1 1 1 1 1 1 1 1 1 1 1980 1 1 1 1 1 1 1410 1 1 1 1 1 1369 30123 1 1 1 1 1 1 1 1444 1 1 4316 1 7129 1 2170 1 28186 1 1015 20918 1 1 1 1 1 1 4649 1 1 1 1 1623 1 1 1 29136 1 1025 1 7438 1 1 1 142.9426 *142.9427* 142.9427@0.83836454 9449 19206 3922 8799 7585 20458 2138 4691 1354 5447 1 8414 1 7044 16297 4735 1 17832 3747 2289 4865 14984 9395 1 1 1 15933 12725 8806 4954 1 1 2467 3675 15891 4796 1 1811 1 13827 1 18149 21009 25118 9000 1 2347 21699 1840 1 1 2083 2734 2166 17277 1 19288 16152 16650 12894 2470 1 2796 4918 15742 1932 15204 1 3019 1 19955 9797 2896 12216 4598 4190 18163 1593 1989 14802 4507 12684 2194 2649 3069 16817 1926 9539 3089 19512 142.9427 *142.9427* 142.9427@1.9655217 66266 71286 27565 64738 69396 49744 76691 79195 68642 11054 66290 67691 63723 65322 70266 46866 6765 74542 63102 67523 73960 67828 71438 64692 67991 65257 48220 19627 64766 65912 63170 63617 60406 61180 68759 65400 50943 71319 61469 63237 72772 74082 64753 64342 60745 59425 33722 62725 66045 69431 70726 70628 69598 70365 69789 69137 63925 62852 72237 25561 70677 69494 54300 38472 66660 67666 26606 59779 42669 20189 68908 63465 70701 5257 63503 74220 50872 64765 62043 61503 64629 68479 38074 28221 22569 63259 58022 61580 70872 72278 142.9427 *142.9427* 142.9427@3.3642113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6463 4265 1 1 1 1 1 1 1 1 1 1 1 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 1 1 6472 1 1 2912 1 1 1 1 1 1 1 1 1 1 1 1787 1 1 142.9427 *142.9427* 142.9427@0.83008575 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 1725 3036 1 1 1 1 1 1 2730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2015 1 1 1 1 1 1 1434 1 1 1 1 1 1 1 1 1214 1 1 1 1236 2025 1 1 1 1 1 1 1 1 1 1 1 142.9427 *142.9428* 142.9428@1.6345598 1 1 1 2447 1 1 1 1 1 1 1 1 1 2707 1623 1 5794 1 1 1 1 5041 1 1 1 1 1 1 1 1587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1991 1 1 1 4954 1 1 1 1 1 1 1 1437 3330 1 1 4485 1 5504 1 1 1 3978 1 1 1 1 1 10486 1 1 6913 1 1 71713 81884 1 1 1 1 1 1 1 7409 1 5093 142.9428 *142.9428* 142.9428@1.0285211 9819 1 2049 1 1 2093 1 1 1 1 1 2514 1 9115 9717 1 2093 1 1646 1 1 1401 1 1 1 1 1 10482 1 1555 1554 1 11331 1 1 1492 1 2157 1 1 1 1 1660 1019 1 1 1 2414 1 1378 1 1294 1717 1 1421 1 12375 1436 1244 1 1 1 1 1 1528 1 4638 1 1 1 12345 6818 3526 12694 1162 1524 1 1418 1 1 1 19409 12034 1222 1 7898 1 4927 1810 18450 142.9428 *142.9428* 142.9428@1.2735333 17472 1 33072 39706 3136 5020 5238 1 3367 1 1 4095 5251 33377 6242 1 26448 28290 6956 1962 7583 6880 4734 1 27062 1 3038 3468 5431 23422 3367 5934 30490 23502 1 1 4370 4954 1 1 1 1 3234 2232 25326 3465 1 1 10303 1 1 1 34722 28820 1 1 33002 33713 5440 3958 3208 14261 1499 1 1 4503 1 1840 38457 20919 1223 2415 19549 2637 1 4007 35084 19866 1 1 5350 3471 1 3977 41094 4637 19997 14312 4357 2706 142.9428 *142.9428* 142.9428@1.3757025 1022 1 1 1 1 1 1 1 1 1 1 1 1 1837 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 2292 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 2990 1 1 1 1 1 1 1 1 1 1 1 1350 142.9428 *142.9428* 142.9428@1.1021687 6702 1 1 1 1 1 1 1 1 1 1 1 1 9094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 142.9428 *142.9429* 142.9429@1.1866413 1249 1 1 1 1 1 1 1 1 1 1 1883 2549 16556 3905 1 1 1 1 1 1 1 1 1 1 1 1 1552 1 1 1071 1 1 1 1 1 1 1218 1 1 1 1 2196 1258 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 18142 1 1 1 1 1390 1287 1 16917 1 142.9429 *142.9429* 142.9429@2.9598598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9536 1 1 1 1 3679 1 4029 1 4898 1 1 1 1 1 1 1 2097 1 2477 1 17465 1 1 1 1 1 1 1 1 1 1 1 1 1264 1 1 1 3888 1 1 1 1 1 1 1 1 1 1 1 1 1 2014 1 1 1 1 1 1 3108 1 50230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.9429 *142.9429* 142.9429@0.8575113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 142.9429 *142.9429* 142.9429@2.9202764 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.9429 *142.943* 142.943@3.026313 1 1 1 1 1 4728 1 6359 2397 1 4819 1 1 7719 6174 1435 1 1 1 5654 63651 53635 1 1732 1 1 15652 1 1 1 1 4930 18180 4100 3159 3238 1 1765 31096 37125 1 5071 1 1 1 1 1 1 7539 40818 47499 1 13307 36020 1 1 1 1 1 16831 38761 53887 10300 1 1 29144 15273 1 1588 6177 6025 1236 12337 61255 43060 5092 1 4095 37255 1 1 2652 1 1 1 1 1 20647 1 1 142.943 *142.943* 142.943@3.238336 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 1 1 1 1 1 1 6623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.943 *142.943* 142.943@1.8354478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25725 1 1 1 1 1 142.943 *142.943* 142.943@3.5870686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.943 *143.0202* 143.0202@0.63897574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2466 1 1 1 1 1 1 1 143.0202 *143.0206* 143.0206@3.1137934 1 1 1 1 1 1 1 1 2216 1 1 1 1 1 1 2374 1735 1 1 3590 1 1 1520 1 1 1577 1 1 1 1 1 1 1075 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 4062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0206 *143.0208* 143.0208@1.1403697 1 1 1 1 1831 1880 1 1 1 1 1 1 1733 1567 1 1 1 1 1 1 1 1 1 1908 1544 1 1 1 1071 1 1 1 1308 1 1 1 1736 1 1766 1 1 1 1 1 1 1 1 1 2307 1 1 1 1 1 1 1 3160 1 1 1 1 1 1 1 1499 1 1 1 1 1 1 1468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0208 *143.0212* C5 H5 N O4 4684 4874 4248 1 4639 4550 3564 4191 6034 5437 3610 4027 3922 4607 4496 4302 4831 4737 4744 4006 7296 5955 4835 5023 2971 1 1 3488 2861 3136 3355 6040 4330 3228 3327 5722 3378 1 4042 7259 3305 4218 4572 3476 1 4346 3598 1 3381 3682 3814 4416 2845 5459 3735 3255 3958 3942 3719 4411 4558 4164 3034 3364 3760 3074 4167 4116 4258 4077 4965 2892 3356 3187 5093 3009 4530 4312 4237 3002 5585 3451 3023 3147 2518 1 2957 2475 3760 4417 143.0212 *143.0212* 143.0212@3.3117983 1 1 1 1 1 1 1 1231 1 1 1 1 1 1 1 2463 1 1 1 1 1 3074 1 1 1 1 1 1 1 1 1 1 2385 1 1 1 1 1 1 1066 1 2274 2256 1 1 1 4268 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 1546 1 1 1 1 1 1 1 1974 1 1 1 1 1 1 1 143.0212 *143.0213* 143.0213@1.9415071 1 1 2027 1 1 1800 1 1 1795 2873 1370 1 1 1 1 1 1 1 1 1 1 1 1 1530 1 1 1 1 1 1 1279 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 2691 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 1 1 1 1 143.0213 *143.0214* 143.0214@3.9447455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 143.0214 *143.0219* C5 H5 N O4 - 3.0242286 3680 2033 2540 1 1915 1 1237 1671 1535 1 5328 10644 1 4022 3980 3286 1636 2151 1 4581 4963 1918 3570 1491 2728 1 6570 3044 4339 1356 1 8109 10132 2784 3710 1405 5461 6975 1 1807 3247 2424 1 7537 4254 2850 1519 1328 1 3799 1 3811 1 1 1 1 1 5953 2097 1 1 1 1 1 1 1 1 4304 4399 1 1 1 7757 4246 1 1 1320 2686 2008 1 1 1 1 2120 1 1 4220 1 1 1 143.0219 *143.0232* 2-Amino-4-chloro-6-methylpyrimidine 9856 5835 8912 9909 1 8024 1 1 10926 10230 1 12158 9404 6554 6960 10760 1 1 10733 1 1 6290 7985 9187 7705 13151 15367 8562 13670 11831 13156 10222 9618 14325 9999 7932 8188 9333 13705 14569 1 1 11976 10388 9920 12805 4975 1 7107 1 1 1 6662 1 7765 6014 11541 12600 7529 1 2435 2142 1 1 1 8207 1 1 9131 13075 1 1 7150 2083 10093 1725 11270 1 1 1 1 1 1 1 1 1 10845 1 6877 3183 143.0232 *143.0236* 143.0236@3.1484795 1 1 1 1 1 1 1 2057 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 1 1 1 1 1 1 1 1 1 143.0236 *143.025* 143.025@1.6287675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6991 1 1 5145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4328 1 1 1 1 1 1 1 1 1 1 1 4207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9699 1 9347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.025 *143.0274* 143.0274@1.6170444 1 1 1 6738 13384 1 9944 8528 1 1 9421 1 1 1 1 3190 8051 1 1 12526 11223 1 1 1 1 1 1 1 1 1 1 4610 4305 1 1 1 3205 1 1 1 1 1 1 1 1 1 1 1 3605 11738 6158 8660 1 1 1 1 1 8767 1 7449 1 2657 7010 9107 12854 1 9865 9737 1 1 9987 8631 4261 1 1 1 1 14786 1 1680 10314 6187 12142 10634 16362 20099 1 13195 3575 7972 143.0274 *143.0302* 143.0302@1.9619416 1 1 1 1 1 1 2471 1 1 1 1 1 1 1 1 1 1 1 3746 2510 1 1867 1 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 1 1 1 1 1 1 1 1 1 5440 1 1 1832 1 1 1 1 2566 1 1 1 1 1 1 1 1 1 1 1 2836 1 1 1 1 1 1 1 1 1 143.0302 *143.032* 143.032@1.9683853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4905 4368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1076 2094 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 1 1 1 1 1 1 1 1 1 1 1 1 143.032 *143.0322* 143.0322@1.5416503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14439 1 1 1 1 1 1 1 1 143.0322 *143.035* 143.035@1.5073819 1 1 1 1 1 1 1 1 5725 1 2122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15784 1 2591 1 1 1 1 1 1552 1 1 1 1 1 1 1 1 1 1 1 1 1 2535 1 1 1 5029 1 12388 6871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4492 1 1 1 7305 11980 5562 13139 6291 1 1 1 13470 1 1 1 143.035 *143.0375* 143.0375@1.4218911 1 1 1 1 1 1 2601 1949 1 1634 1 1 1 2010 1 1 1 2156 2954 2068 1 1 1 1 1 1 1 1 1 1 1 2831 1 1 1 1221 1 1 1 1 4982 1 1 1877 1 1 2481 2184 1 1 1 4053 2333 1965 1 1113 1 1 3775 4744 1 1 3184 1 3115 1101 1 1320 3042 1 1 10432 1 1 1 1 3462 4484 7178 6938 8674 1 4057 1 1 5851 1 1048 5950 1 143.0375 *143.0515* 143.0515@3.010542 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 1 1 1 1 1 1 1 1 1 1 1 1 143.0515 *143.0728* 143.0728@5.423687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1192 1 1 1 1170 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 1 143.0728 *143.9478* 143.9478@2.0437205 1 1379 1 1 1 1 1713 1 1 1 1 1323 1 1 1 1 1 1 1 1 1127 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 1701 1 1 1 1 1 1 1 1 1385 1 1 1 1 1 1 1 1 1 1 1194 2809 1 1 1633 1364 1 1 1 1 1 1 1 1 1 1 3206 1 1 1 1 1 143.9478 *143.9483* 143.9483@1.96727 8691 7915 8749 7789 8107 8099 8365 9199 7669 8582 7326 6580 7654 8405 7261 7222 8096 7611 7667 7484 7047 6225 7283 6138 7736 6956 6448 7569 6213 5746 7630 6451 6797 7784 8891 9661 6679 7839 7827 7260 6054 8180 8526 8991 8087 7892 6687 7234 5689 6566 6201 7624 7576 6605 6321 7415 8492 6230 8770 9118 4194 7123 6608 7103 7727 6906 7537 5706 5573 2696 8101 6710 7044 6851 8523 8336 6684 7319 5771 7625 7513 7804 8325 9513 2821 7468 6526 6321 7788 7604 143.9483 *143.9488* 143.9488@3.3009553 1 1 1 1 1 1 1 1 1 1 1 1 1 3394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.9488 *143.9492* 143.9492@1.5956724 1 1738 1 1 1 1 1 2778 1 1 1 1 1 1 1 1 1 1 1 1 1265 1029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2758 1 1 1 1 1 1 1 1 1 1 1 1 2741 2743 1 1 2252 1 1 1 1823 1 1 1 1 1 1 1 1499 1 1 1 1666 1 1 1745 1571 1 1 1 8968 25774 1 1 1 1 1 1 1 1 1 2457 143.9492 *143.9494* 143.9494@3.0038292 1 1 1 1 1 1 1 1 1 1 1 1 1 1830 3324 1 1 1 1 1 3985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4329 1 1 1 1 1 1684 1 1 1 1 1 1 1 2365 1 1 1 1 1 4413 1 1 1 1 2751 1 1 1 1 1 1 1 2029 2849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.9494 *143.9494* 143.9494@0.812822 1408 1827 1 1 2618 1 1 1 1 1 1 1 1 1 1 1341 1 1 1834 1 1950 1 1 1 1 1 1 1 1 1 1880 1 1 1 1 1 1 1 1 1 1 1 1 1880 1 1 1 1 4269 1 1 1 1 1 1 1 1440 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 1 143.9494 *143.9494* 143.9494@1.1570718 1 1 2180 1 2020 1 1 1 1 1 1 1 1 2735 1 1 3407 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 1391 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 2177 1 1 1 1 1 1 1 1 1803 143.9494 *143.9496* 143.9496@3.047402 1 1 1 2414 4977 1 1862 1 1 1 1 3242 1 1404 1215 1 10079 4299 2769 1 2748 1 1 1 1 1 4156 1 2272 2888 3597 1 1 1 2787 3921 1 1 1815 3166 1 1351 1 1 1 1 1 3139 1 1 7414 1 5659 11715 8513 4355 1 1 8623 1850 5951 2139 1993 3012 2209 1 3964 5252 1 1736 1 1 3661 1 5907 2581 1 1 1 1 1 1 1 1451 1 1 1 3668 1 1 143.9496 *143.9497* 143.9497@1.2740246 1 1 3022 4363 4109 2834 1 1 4345 1 1 3082 1 3603 1 1 1217 1 3048 2580 1 1 1 1 2223 3390 1 5109 1 6148 3126 1 1 2470 3370 1 1 2503 3184 2811 2199 1 1 1175 3156 1 1 1 1 3372 1668 1 4217 3766 3427 2870 1 1 2875 3063 1848 2013 2414 1 1 1 1346 1270 1 2544 3616 2006 1 1 2660 1 1 2873 1 3270 1209 1756 1 1 4185 5827 1 1 1706 2752 143.9497 *143.9498* 143.9498@1.3454618 1 1 1598 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 1633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2729 1583 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 1 143.9498 *143.95* 143.95@3.3386912 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 1 1 1381 1 1 1 1 1 1 1 1 1 1 1 143.95 *144.0039* 144.0039@1.2992848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2539 1 1 1 1 144.0039 *144.0043* 144.0043@1.9601898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 144.0043 *144.0046* C9 H4 S 14746 16121 26758 29682 27074 24482 7742 7416 21815 23660 30356 33127 20270 20721 16167 12766 1 1 23126 24829 10067 7447 14401 14219 18629 15302 39619 37797 9879 11080 23977 23007 30187 25344 16155 15601 14656 15079 32641 32064 1 1 21653 21517 22881 22489 10404 10733 1246 3082 1 1 5948 6202 2219 2145 22627 23553 1 1 1 1 1 1 7876 6414 1 1 26438 25393 1498 4343 2981 2653 2344 2684 14898 15251 1 1 2080 1239 1337 3085 24102 26405 8812 16747 1 1 144.0046 *144.0046* 144.0046@2.1089785 1 1 1 1 1 11578 1 1 1 1 1 1 1 1 3337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1309 1 1 1 1 1 1 2749 1 1 1 1 1 1 1 1 1 1 1 1 1 8177 1 1 1 144.0046 *144.0048* 144.0048@6.3219504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 144.0048 *144.0051* 144.0051@2.96735 1 2378 1718 1 1 1 1 1 1 1 1 1 2178 3372 1 1 1 1 1 1 1 1 1 1 1 1 1 6862 1 1 2994 1694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1078 1 1 1 1381 3809 1 1 1 1 1 1 1 3299 1 1 1 1 1038 1 1 1 5892 5747 1850 1 1 1 1 1 1 3773 1 1 1 3271 1 1 144.0051 *144.0051* 144.0051@6.8070226 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 5740 5495 1 1 1 1 1 1 1 1 1 1 3690 4571 1 1 1 1 1249 5780 1 1 1 1 1466 2216 1 1 1013 6865 1 4716 6548 6736 1481 2523 1 1 144.0051 *144.0053* C5 H4 O5 6963 6735 7499 7396 9650 11119 4922 5782 5558 5325 11437 13437 6137 6110 3915 4071 2580 2095 6547 6747 5349 5488 7614 7859 8946 9928 16639 15396 8704 8823 5705 6494 6332 5936 6879 7025 6529 6329 6799 6910 1 1 8845 9180 5425 5794 7081 6200 3722 4051 1 1 2309 2462 2901 3114 9635 10541 1 1 1 1 1 1 2323 2760 1270 1 9885 9669 1110 1191 2085 1907 1166 1628 1928 1824 1 1 1357 1 1120 1519 3557 4002 5785 6157 1 1040 144.0053 *144.0053* 144.0053@5.7421145 1 1 1 1 2224 1 1 1 1 1 1 3118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1729 2149 1 1 1 1 1956 1 1 1 1 1 5570 5505 1 1 2531 1 3429 1 1 1 1 1 1 1 1 1 1 1 2318 3334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0053 *144.0054* 144.0054@3.5325272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0054 *144.0055* 144.0055@4.05491 1 1928 2472 1 1 1 1 1 3360 3021 3124 4847 1 3909 1 1 1 1 5944 4570 1 1 3103 1751 1 2646 5562 1 2449 1844 4103 3865 9073 5819 2727 2740 3067 3137 8259 6717 1 1 4575 5826 1 5276 1 1 1 1 1 1 1 2307 1 1 2299 1 1 1 1 1 1 1 1 1 1 1 5471 4994 1 1347 2578 1 2290 1 1 4104 1 1 1 1 1230 1 5722 1 1 1 1 1 144.0055 *144.0055* 144.0055@4.2620173 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 2598 2411 1 1 1 1 1 1 1 1 1 1 1 1 2353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3489 1 1 1 1 1 144.0055 *144.0056* 144.0056@3.1149719 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 3186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5148 1350 1 1 3090 1 1 1 1 1 1 1 1 8491 1 1 1 1 1225 1 1 1 3644 1 1 1 1 1 1 3652 1 1028 1 1 2029 5569 1 1 144.0056 *144.006* 144.006@1.6463686 6047 3901 1 8259 1 1 1 1 1 1 1 1 1 9867 3946 5396 1 1 7715 10492 3233 2080 1 1676 1 1 1 1 1 1879 10827 1 15638 7894 1 1 1 1 25717 1 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 3609 1 1 1 1 1 1 1299 1 1 1 6808 1 1 1 1 1 1 1 1 1 1 5378 1 1 144.006 *144.0061* 144.0061@1.4019587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1404 1 1 1 2095 1 1 1 1 1 1 1266 1 1 1 2333 1 1 2321 1 1 1 1 1 5168 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 7596 5041 1 1 1 144.0061 *144.0076* 144.0076@1.5811574 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 4859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0076 *144.0113* 144.0113@1.5538957 1 1 1 1 1 3297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0113 *144.0329* 144.0329@1.4923542 1 1 1 1 1 3661 1 1 1 1 1 1 1 1 1 1 1 1 4746 1 1 1 1 5178 1 1 1 1 2970 1 1 1 1 1 1 1 1 5807 1 1 1 1 1 1 1 1 1 5691 1 1 1 1 1 6815 1 1 1 1 1 1 1 1 1 1 1 2739 1 1 1 1 1000 1 1 1 1 1 2859 4896 1 1 1 1 1 1742 1 1 6506 6003 1 1 144.0329 *144.0352* 144.0352@1.5073547 1 1 1 1 1 1 1 1620 1 6263 1 1 3007 1 1 1 1 1 1 1 2491 1 1 2275 1 1 1 1 1 1 1 1 3580 1 1 1 1 1 4595 1 1 1 1 1 3382 1 1 1 2682 1 1 1 5406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1971 4415 1 7377 2442 1 1 1 1 1 1 1 1 1 1 2760 1 144.0352 *144.0368* 144.0368@1.4750607 2893 1 1 1885 1 1 1 3955 1 1 1 1 3585 1 1 1 1 1 1 7804 1 1 1128 1 1 1520 1 1 1 1 1 1 3379 1 1 1 8470 1 1 1 1 1 1 1 4821 1 1 1 1 1 1 1 1 1 5021 2096 1 1 1 1 1 1 1 1 1 1 1 1 1 6607 1 1 1 1 1 3341 1 1 1 1 5197 1 7000 6275 1 1 1 1 1 8053 144.0368 *144.0406* 144.0406@1.4802662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0406 *144.0408* 144.0408@1.4471205 1 1 1 1 1 1 2459 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 1491 1 1 1 1 4306 1 1 1 1 1 1 1 1 3378 1 1 1 1 1 1 1 1 1149 2601 4195 1 1 1 1 1 1 1 1 5996 1 1 1 1 1 1 1 1 1 4819 4775 1 1 1 1 1 1 4756 1 144.0408 *144.0425* 144.0425@1.5499777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2195 1 1 1 1 1 1 1 1 1 1 5713 2400 1 1 1 1 1 1 1 1 1 1 144.0425 *144.0499* 144.0499@1.4486723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13475 16018 1 1 1 1 1 1 1 1 1 1 144.0499 *144.0525* C5 H8 N2 O3 8167 7758 6325 6531 6884 7080 8037 5853 9084 8837 9083 8492 4030 5020 5186 5983 12419 12493 6772 6657 8297 8108 8802 9036 6458 5920 6209 6599 5630 5133 7272 8136 7814 7068 8817 9504 9969 9051 10317 9077 9881 9574 6290 6937 7857 7845 11815 12211 8403 8307 13155 13839 15977 15890 11165 10217 6211 6311 9900 7712 15912 15278 10557 10704 11551 10707 8334 8018 9634 9748 20591 21910 8717 9166 11212 11238 12535 13688 13466 24554 13079 13764 10238 10805 16797 17204 8804 10011 12085 11681 144.0525 *144.0531* 144.0531@3.0513432 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 1 1 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 2156 1 1 1 1 1 1 1 1 1 144.0531 *144.0538* 144.0538@1.2812974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3974 1 1 1 1 1 1 1 1 1 1 144.0538 *144.0553* 144.0553@1.9729444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0553 *144.0655* 144.0655@1.969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 144.0655 *144.0745* 144.0745@1.965801 1 1 1 1 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 1073 1629 1 1 1 1 1 1 1 1 1 1 1 1501 1716 1 1 1 1240 1 1 1 1 1 1 1 1 1 1 1250 1052 1493 1 1 1 1 1 1973 1745 3057 2870 1 1 144.0745 *144.1132* 144.1132@1.0806062 1184 1120 1 1128 1734 1775 1032 1284 1353 1568 1558 1007 1269 3403 1384 1122 1163 1198 1080 1124 1112 1241 1413 1272 1258 1441 1324 1 1346 1614 1 1122 1 1205 1038 1 1 1 1 1 1 1 1 1 1 1036 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 1174 1 1 1 1 1 1 1 1 1 4218 144.1132 *144.9557* 144.9557@1.9719464 1 1 2475 1 1 1 1 1 1 1 1 1 5194 1 1 1 4713 1 1 4891 1 1 1 1 1 1 4520 1 1 1 4864 1 1 1 1 4415 5787 1 1 1 2900 1 1 4084 4444 4038 3213 1 1 5056 1 2420 1 1 1 1 1 1 3429 2142 2402 1 1 1 1 1 1 1 2880 2623 1 1 5233 1 1 1 1 1 4351 1 1 1 1 1 3705 1 1 1 1 5478 144.9557 *144.9562* 144.9562@3.0448945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2025 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1402 1 1 1 3664 1 1 1 1 1 1 1 1 1 1 1 2221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.9562 *144.9568* 144.9568@1.2563071 1 1 1 1 1 1 1 1 1318 1 1 1904 2037 1 1 1 2120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2196 1 1 1 1 1 1 1 1 2706 1 1 1 1 1 1 1 1 1 1 1 1 1656 1 1 1 1769 1 1 1 1 1 1576 1 1 1 1 1 2603 1 1 1 1 1 1 1 1 1 2705 1 1 1 1 1 1 1 1 1344 144.9568 *144.9569* 144.9569@1.6532171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2437 1 1 1 1 1 1 1 1 1 1 1 144.9569 *144.957* 144.957@3.132823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1769 1 1 2074 1 1 1 1 1 1 1 1 1 2529 2337 1 1 1 1 1 1 1574 1 1 1 1173 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 1834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.957 *144.9575* 144.9575@0.7468809 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 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 2327 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 1 144.9575 *145.0212* 145.0212@1.0663313 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 1 145.0212 *145.0302* 145.0302@1.5258582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0302 *145.0367* 145.0367@3.1530623 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 1840 1740 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 1656 1 1 1805 1 1 1 1 1 1 1 2357 2689 1 1 1 1 1 1498 1 1 1 1 1 1 1 1 2592 2703 1 1 1 1 1 1 1 1 145.0367 *145.039* C5 H8 Cl N3 1 1 1 1 3164 3515 2046 1295 2481 2692 2735 2407 1860 1754 1 1 4016 5043 2785 3206 1999 1979 1 1936 1 1 1 1 1 1 1 1756 1 1 1 1 1984 2029 3150 3750 2977 2963 1 1 2059 2623 2304 2687 1 1 3328 3696 4316 3968 1983 2289 1 1 1 1 1 1 3386 2937 3757 3796 2576 2262 2614 2543 3575 3443 2006 2226 2869 3054 2403 2360 1 1 5174 4993 2348 2428 2563 1 1 1 3803 4186 145.039 *145.0464* 145.0464@2.9903913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3623 3814 1 1 1 1 1 2253 1 1 1 1 145.0464 *145.0475* 145.0475@1.1725048 1 1 1 1 1 1 1 1 1617 1 1 1 1 1984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0475 *145.05* 145.05@1.1369781 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 2690 1 2894 3628 1 1072 1 1 1 1 1 1 1 1 1177 1 1 1 1 1 1 1 2977 1 1 1 1 1227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5723 5032 1004 5143 1487 1419 4009 4213 1 1 1 1 145.05 *145.0511* 145.0511@1.1718363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0511 *145.0565* 145.0565@2.158525 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 1720 1484 1 1 6516 1 1 1 1537 2507 1 1 1 1 1 1 1117 1 1 1 1 1 1446 1 1 1 1 1 1 1 1890 1 1 1 1 1 1 1019 1 1 145.0565 *145.0615* 145.0615@2.1238377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0615 *145.065* 145.065@2.1408408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2881 1 1 1 1 1 1 1 1 145.065 *145.0704* 145.0704@1.6900141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7450 1 1 1 1 1 1 1 1 1 1 145.0704 *145.0711* 145.0711@2.1122224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7170 7378 1 5049 1 1 1 1 1 1 1 1 1 1 2283 1 1 1 1821 1 1 1 1 1 1 1 145.0711 *145.0718* 145.0718@2.054021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8873 1 1 1 1 1442 1 1 1 1 1 1 1 1 1 1 1 145.0718 *145.0727* 145.0727@3.778847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2383 1 1 1 1 1 1 1 1 1 1 145.0727 *145.0731* 145.0731@3.1130843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74171 74499 1 1 1 1 1 1 1 1 1 1 145.0731 *145.0732* Propionylglycine methyl ester 27462 26148 28140 28416 29517 30824 64604 66900 29818 30111 40762 42056 31354 32455 35256 34352 42068 41812 49078 52462 25894 26304 39634 40697 24452 22063 30175 30446 27676 28320 29353 31868 37524 36969 41939 41821 57953 57923 54660 53740 60704 55871 33725 33907 26682 25625 43501 43691 33622 30986 29507 30662 39335 41131 29527 28960 17533 20378 55090 52370 57633 57449 56300 57930 35334 32287 48796 45698 33139 30511 48754 51138 38561 29180 30093 30298 34142 37399 108443 110419 56638 54355 33856 37202 60817 60089 28272 28546 47309 45182 HMDB00813 145.0732 *145.9301* 145.9301@0.905036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3622 4340 1 1 1 1 1 1 1 1 1 1 145.9301 *145.9302* 145.9302@6.8891788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1860 1 1 1 1 1 1551 1 1 3193 1 1 1 1 1 145.9302 *145.9303* 145.9303@6.008744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 145.9303 *145.9309* 145.9309@6.157692 1 1 1 1 1 1 1 1 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 1364 1 1 1 1 1 1 1 1 1 1 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.9309 *145.933* 145.933@1.1143503 1 1 1 2512 2035 1 1 1 1 1 1 1 1 1 2353 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.933 *145.9647* 145.9647@1.6210637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4143 2754 1 1 1 1 1 1 1 1 1 1 145.9647 *146.0204* 146.0204@2.0405421 8351 1 52604 1 15829 86198 1876 1 1 1 1 1 1 1 1 13975 1 1 1 1417 1 1 2866 1 1 3847 26374 1 1 1 5970 22051 1 1 11899 1 7280 1 27500 1 1 1 1 1 1 1 3482 5494 1 1 1 1 1 2041 1 1 1 17310 1 1 1 1 1 1 6374 21340 1 1 1 15581 1 13902 5268 1 2856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1342 146.0204 *146.0204* 146.0204@0.72186875 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 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 1 146.0204 *146.0205* 146.0205@1.1194578 1 1 1 1 1 1 1 1 2865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7175 1 2949 1 1 1 1 1540 1 1 1 1 1 1 1 1 2162 1 1 1 1 1 1 1 1 1698 1 1 1 1 1 1 1 1 1 1 2913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1058 7758 1 1 1 1 1 1 7689 1 146.0205 *146.0206* 146.0206@2.9343903 1 1 1 1 1 1 1 1 1683 1 1 1 23336 1 10645 1725 1 1 4183 1 1 1 1 1 20534 1 2849 1 1 1 27057 1 36235 1 1554 1 1466 19725 1 1 1 1 1221 1 23039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0206 *146.0206* 146.0206@2.306626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 146.0206 *146.0208* 146.0208@1.6278374 15906 1 1 1 1 1 1 1 1 1 1 4944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4719 1 1 10859 1 1 1 8697 1 1 1 1 1 1 1 1 1 1 1 1 1 5260 1 1 1 1 1 1 1 1 1198 1 1 1 4754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16617 1 1 146.0208 *146.0208* 146.0208@3.003089 1 1 1 1 4587 1 1 1 3960 17588 1 7806 1 1549 7070 2724 1 1 1 1 1 1 2769 5784 1 1 17078 1 1 1 1 11865 2211 6219 1 3089 1020 1 1732 1 1 1 3452 1 1 3840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2334 23121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0208 *146.0211* alpha-ketoglutarate 1 1 1 1 1 1 1 1 1 1 1 1 2147 2783 2139 1 1 1 1 3110 14215 18724 24992 28401 1 1 1 1 1 7953 2458 2758 1 4570 1 1 1 1 2721 1 2599 2112 1 1 1 1 1 1 1486 1 4374 3864 4385 2591 1 1 1 1 1 1 1 1 1 1 1 2299 4400 4648 7210 3215 1 1 1 1 1 1 1 1531 3607 1856 7860 1213 3612 3566 1 1909 3196 2942 1163 11353 146.0211 *146.0214* 146.0214@3.003869 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 1161 1 1 1 1 1 2724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0214 *146.0218* 146.0218@1.50954 1 1 1 1 1 1327 1 1 1 1 1 1 1 2246 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 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 2857 1 1 1 1 1 1 1 1 1 1 2392 1 1 1 1 1 1 1225 1 1 146.0218 *146.0219* 146.0219@1.9715484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6812 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 146.0219 *146.022* 146.022@1.9281352 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 146.022 *146.0221* 146.0221@1.3351849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2515 1 1 1 1 1 1 1 1 1 1 1 1 146.0221 *146.0298* 146.0298@1.943422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 146.0298 *146.0408* 146.0408@1.8760141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2621 1 1780 1 1 1 1 1 1 1 1 146.0408 *146.0426* 146.0426@1.4887701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 146.0426 *146.0446* 146.0446@1.9593604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2343 1 1 1 1 1 1 1 1 1 146.0446 *146.0461* 146.0461@1.4349484 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 3389 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 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1720 1 1 1 1 1 1 1 18221 17991 1 1 1 1546 1 1 1 2426 1 1957 146.0461 *146.0484* 146.0484@1.9638848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0484 *146.0501* 146.0501@1.4905698 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 1382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1746 1372 1 1 1 1 1 1 146.0501 *146.0508* 146.0508@1.4888661 1909 1234 1 1 1 1 2229 2509 1 1 1 1 1 1 1 1 1 1 1 1 1 2143 1 1 3311 1 1 1 1 1 1 1890 1 1680 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 1723 1 1 1 1 1 1 1665 1 1 1 1 1 1 1 1 2459 2480 1 1 1 1 1 1 1762 1 146.0508 *146.0525* 146.0525@1.9772367 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 1 1 1 1911 1 1 1 1 1 1 1 1 1 1 146.0525 *146.0546* 146.0546@1.4807249 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 9403 10373 1 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 1987 2115 2150 1723 2220 1 1 1 1308 1824 1 1 1 1 1 1 1 1 1 1 22473 23623 1 1 1 1 1 1 1 1 1 1 146.0546 *146.0565* 146.0565@1.9843806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 146.0565 *146.058* 146.058@1.290964 1 1 1 1 1 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 1 1 1 1 146.058 *146.0675* 146.0675@2.9273653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 146.0675 *146.0675* 146.0675@6.9673066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3286 1 1 1 1 1 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 1973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1272 1 1 1 1 146.0675 *146.068* 146.068@2.880712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3779 1 1 1 1 1 1 1 1 1 1 146.068 *146.0687* B-ureidoisobutyric acid 11707 11582 9526 9937 13423 14788 15759 14573 12244 10847 22321 20111 13750 13272 14037 11812 10957 11328 15161 16167 13550 13235 12832 12948 18793 16601 14010 13148 8855 9972 14422 13575 14475 14113 7661 6680 12138 12174 14896 15329 17279 17562 9126 9981 11908 10592 8203 8049 11479 9266 52102 50966 38648 37764 14648 15491 14037 15486 9704 9205 43391 42871 13948 13825 25979 26338 17633 17502 15960 15959 66616 71031 9791 9813 18108 18989 75525 74147 56260 48710 70920 68444 42433 37242 61855 58394 87775 99434 34681 35342 146.0687 *146.0855* 146.0855@1.2558403 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 146.0855 *146.0903* 146.0903@1.2929598 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 2051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0903 *147.0127* 147.0127@0.65508944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 147.0127 *147.013* 147.013@0.8897771 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.013 *147.015* 147.015@2.960717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 147.015 *147.0152* 147.0152@1.4579015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 147.0152 *147.0219* 147.0219@2.0360646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 147.0219 *147.0249* 147.0249@1.103737 1 1 1 1 1 1 1 1 1 1906 2689 1 1 1 1483 1 1 1 3123 1 1 1 1 1 1 1 1 1 1 1 2793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1497 2046 1 1 1 1434 1209 1 1 1630 1 1 1 1 1968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2260 1626 1 1 1 1 147.0249 *147.0251* 147.0251@2.0867038 1 1 1 1 1 1 1 1 1 1 1 1 1 2910 1 1 1 1 1 1 2895 1 1 1 1 1 1 1 1 1 1 1 1 1 3136 2060 1 2288 1 1 1 2242 1 1 1 1 1 1 1 1 1 1 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 6952 1 1 1 2277 1 1 1 1 1 1 1 2261 1 1 1 1 1 1 1042 3284 1 1 2377 147.0251 *147.0252* 147.0252@3.0719688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 147.0252 *147.0261* 147.0261@3.0397518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2410 1 1 5207 1 1 1 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 1 147.0261 *147.0277* 147.0277@2.1167245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1639 5146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4632 2725 1 1 1 1 1 1 1 1 6640 1 2813 1 1 1 1 1 1 8612 1 1 1 1 7198 5422 1 3916 1 1 1 1 7238 6862 6007 8690 1 1 2172 1 8639 5579 1 1 1 1 1 1 1 1 147.0277 *147.0292* C3 H5 N3 O4 1 1 1 1935 4942 5822 1 1712 1725 1 1 1 2124 3074 1 2948 3092 2861 1 2359 3057 1 1 1 1 1831 1 1 1 1534 1 1 4723 3886 5132 4346 3711 2986 1997 2185 1 1 4614 3969 1 1 1 1 1 1348 4780 4137 1 1 4426 5306 3270 2403 3073 3233 1 1 1 1 2494 2378 1915 1 2001 2124 1984 1 1 1906 1 1 1 1 3604 2348 4869 3752 1 2394 1 1 4773 4729 1 1 147.0292 *147.031* 147.031@1.189065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 147.031 *147.0318* 147.0318@2.1242902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29830 34251 1 1 9551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.0318 *147.0397* 147.0397@1.9668126 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 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 1030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.0397 *147.0465* 147.0465@1.9616585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1137 1 1 1 1609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.0465 *147.0495* 147.0495@1.9546314 1 1 1 1 1 1 1 1703 1 1 1 1 1 1 1 1 1 1033 1 1 1 1451 1 2566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1718 1 1 1 1 1 1485 1 1 1639 1600 1 1 1263 1848 1856 1 2740 1286 1 2580 2009 1 1721 2054 2059 1 2664 1 1 1837 1658 3833 1 1 1 1 1 3318 6143 2528 5059 2383 3023 1621 1 1 2043 6535 2933 147.0495 *147.0519* 147.0519@5.750766 1 1 1 1 1037 1 1464 1525 1226 1204 1621 1618 1542 1603 1504 1357 1330 1347 2366 2540 1 1691 1948 1658 1 1 1743 1556 1230 1253 1988 2007 1773 1799 1231 1463 2353 2704 2589 2521 2428 2713 1795 1695 1445 1748 1476 1170 1391 1524 2436 2789 2384 2397 1429 1667 1080 1503 1780 1643 2746 2671 1719 1826 2164 2235 1525 1499 2131 2103 6132 6000 1313 1673 1576 1539 4715 4349 4276 4229 4780 4865 3222 3178 5202 5770 3011 2856 3630 4356 147.0519 *147.0621* 147.0621@1.1707139 1 1 1 1 1 1 1 1 1500 1 1 1 1734 1 1 1 1 1068 1 2141 1 1 1 1 1 1 1 1 1 1 1057 1 1 1665 1850 1825 1628 1 1 1 1 1 1 1 1 1 1 1492 1 1 1 1 1639 1 1241 1 1 1 1 1 1 1 1 1 2099 1 1 1 1 1 1 1 1494 1 1 1 1 1 1 1370 1 1 1 1 1 1 1 1081 1 1 147.0621 *147.0659* 147.0659@1.1696956 1 1460 1 1 1059 1 1667 2324 1 1514 1954 2026 1 1655 1766 2092 1 1 2322 1 1 1 1786 1 1 1 1 1 1 1 1 1385 1908 1 1 1 1 1855 2437 3015 1 3711 1 1144 1 1 1192 1 1183 1160 1 1 1 1655 1 1250 1 1 2924 2658 3129 3112 1 1 1 1 1421 1178 1 1 2126 1907 1 1804 1274 1163 1974 1570 1872 1 2697 3485 2199 1958 3497 3613 1 1 1 1981 147.0659 *147.0695* 147.0695@2.0295608 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.0695 *147.0888* pentanamide 1 1 1 1 5829 5888 1 1 5621 5626 3843 3866 2983 3209 1 1 4901 4665 4250 4162 2761 3016 1 1062 3286 3239 5263 5533 1 1484 2219 1 3453 3066 1 1 1 1 5996 6514 2452 2672 2620 2715 5192 5050 1 2131 1 1 4072 3590 3999 4878 1 1 4648 4833 1 1 1 1 3571 4293 6654 6228 1 1755 3110 2519 3493 3241 2640 3009 4241 4276 3170 2999 17001 17107 6312 6158 5558 5366 1772 2005 1 1 3823 4902 C01842 147.0888 *147.945* 147.945@1.1081139 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 7335 6802 9667 9043 6418 3046 4393 6820 4168 5975 3843 1 4295 3586 1 3325 3430 3903 4628 1768 3972 4743 4322 4261 4950 6749 4401 3109 5008 5004 4753 5082 5201 5154 5041 4475 5155 5887 5435 5552 4640 3985 6195 6069 5741 6627 2799 6710 5533 7665 6726 4317 6495 6690 5860 7145 8241 7449 8232 3321 7907 8073 8291 7558 8428 147.945 *147.945* 147.945@13.311386 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.945 *147.9451* 147.9451@1.2106 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 3166 3077 1 1 2332 1870 2101 1 2411 1 1 2747 2694 3310 1741 2479 2802 2087 1 2024 1943 2070 2300 2409 2514 1 2643 2064 1867 1983 2630 2042 1 2743 2643 4001 2458 2603 3394 3299 1437 1 2702 2731 3620 2987 3984 3419 5563 4125 4160 4169 4354 4585 5026 4142 3990 4368 4241 5145 4730 4837 4311 5870 6050 147.9451 *147.9455* 147.9455@12.925047 1 1 1 1 1 1 1 1 1 1 1 1 1026 1 1715 1 1198 1 1 1 1 1995 1 1 1 1 1 1 1 1 1 1 2544 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 1095 1 1 1 1 1 1 1 1 1 1 1 1 147.9455 *147.9463* 147.9463@1.1689265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3235 1 1 1 1 1 3327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.9463 *147.9656* 147.9656@1.6181318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 147.9656 *147.9733* C5 H5 Cl O S 8304 7769 6774 7049 7428 7816 5911 5099 8511 8487 6818 6907 4579 4485 5744 6007 4173 4219 10873 11238 7299 1 8246 8456 8427 8160 6452 1 7508 7172 8379 8318 6394 5950 5309 5580 7203 6593 7102 7477 7854 7740 7744 7852 6167 6548 8288 8402 7373 8946 4968 5270 6657 6452 7379 7990 8444 1 1 8239 10182 10273 8046 7811 7289 7367 5660 5539 7540 7203 1 12526 9753 8958 9664 9696 8738 8112 21898 22079 8090 8850 9215 9297 9280 8799 9776 10845 6487 6454 147.9733 *147.9736* 147.9736@0.9549154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.9736 *147.9895* 147.9895@4.247116 1 1 1 1 1 1 1 1 1 1 1 1 1 2766 3478 1 1 1 1 3510 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 5688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.9895 *147.99* 147.99@4.8120184 1 1 1 1 1 1 1 1 1 1 1 1 1 3044 2794 1 1 1 1 1 1325 1 1 1 1 1 1 1 1 1 1 1 1 1 1778 1 1 1 3484 1 1 1 1 1 1 1 1 1 1 1 3047 1 1 1 1561 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 2995 1 1 1 1 147.99 *147.99* 147.99@6.3769307 1 1 1 1 1 1 1 1 1 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 1025 1 1 1 1 1516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1488 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 1 147.99 *147.9902* 147.9902@4.11277 1 1 1 1 1 1 1 1 1 1 1 1 1 3733 2083 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 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 1 147.9902 *147.9902* 147.9902@4.828754 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 1 1 1 1 1 147.9902 *147.9902* 147.9902@4.294557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.9902 *147.9905* 147.9905@6.222682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 147.9905 *148.0111* 148.0111@0.9205647 2655 1 1 1 7556 1 1 3311 1 1 6164 1 1 1 1 4934 2428 1 1 5859 1 1 1 1 4827 1 1 1 4133 1 1 5837 4462 1049 1398 2963 3308 4455 1 2685 2159 1 3618 3823 6199 4469 1 5139 1695 1 1 1 4967 1723 9530 1 1 1 1 2852 1 3427 1 1560 1 1 1 2596 1265 1 1 1 1 1 1 3268 1 2867 2405 1 2029 2255 1 2205 2433 2248 2517 3949 1 1428 148.0111 *148.0123* 148.0123@0.86262757 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0123 *148.0135* 148.0135@1.6607443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1251 1 1 1 1 1 1 1 1 1 1 1 1648 1060 1 1 1 1 1 1 1 1 1 1 148.0135 *148.0156* C8 H4 O3 1 1 1 26309 27869 1 1 24570 29912 2714 10083 1 7593 23922 20521 20513 26004 27863 21839 1 2294 1 1 20684 27098 1 4501 2224 1 20717 17305 23350 24413 20562 7781 26795 21822 20184 18980 2157 20671 24252 1 20546 22004 1 20312 21159 15528 1 20106 22082 19386 22788 15377 25773 1 1 17841 12195 1 20098 20393 1 17998 23826 18873 20225 15922 18036 19983 21393 24294 22549 20287 14043 15914 20230 6505 15945 25084 19909 17843 19728 21094 1 1 21602 23526 17312 148.0156 *148.0157* 148.0157@0.78770477 1 1 1 1 1876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8282 1 1 1 1 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 5523 1 1 1 1 3449 1 1 1 1 1 1 1 1 1 1 1 2560 1 1 1 1 1 3065 1 1 1 1 1 1 3041 148.0157 *148.0162* 148.0162@1.21656 1 1 1 1 1 1 1 1 3595 1 1 1 1 1 1989 1 2762 1446 1 1 1 1 1130 1634 1 1 1 1 1139 1 1 1 1 1 1 1999 1 1 1 1 1042 1 1 1835 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 2458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1530 1 148.0162 *148.0164* 148.0164@1.3237585 1 1 2512 1 1 1 1 1 1 1 1 1 1834 1 1884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1491 2916 1 1 1 2988 1 1 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 2142 1655 1 1 1 1 1446 1 1 1857 1 1 1 1 1258 1 148.0164 *148.017* 148.017@1.6678302 1 1 1 1 1 1 1 1 1 1 1 1 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 2640 1 1 1 1038 1 1 1 1 1 1 1 1 1 1357 1060 1 1 1 1 1 1 1 1 1 148.017 *148.0173* 148.0173@1.0481184 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 4651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3329 148.0173 *148.0177* 148.0177@2.992721 1 1 1 1 3442 1 1 1 1 1 1 1 1 1 1 1 1592 3478 1 1 2920 1766 1 1 2692 2169 1 1 1 1 1 1 1 1 2771 1668 1203 5016 1 1 1 1 3285 1 1 1 1 1 1 1801 1 1 2016 1747 6984 1 2909 1 1 3200 1 1 1297 2640 2596 1 2541 1 1 1176 1480 1 1 1 1 1 1 1 1 1 1 1 1 2572 1 1765 1 1747 1 1 148.0177 *148.0185* 2-Oxo-4-methylthiobutanoic acid 2899 3231 1116 1 2708 2417 1 1486 1 1 1 4276 4924 1 1 1651 1 1 1 4916 3148 3123 1 2657 1 2780 1 3918 1 1 1 1707 1 1 5222 1 1374 1 1 4498 1 1876 1 1 3860 1 1 4504 1 1 4428 3005 3853 1 1 1 1439 3858 5521 1915 2912 1 1 1 1 1 5366 1525 3468 9485 1 1 1 1 2083 4694 2393 5081 3856 1 3545 4583 2655 1816 6375 4745 3590 3463 1677 1959 HMDB01553 C01180 148.0185 *148.0193* 148.0193@2.9844236 1 1 1 1 1093 1 1 1 1 1 1 1 1 1 1 1 1 2674 1 1 3888 1 1 1 1 1 1 1 1 1 1 1 1 1 3812 1 4763 1 1 1 1 1 1 1 1 1 1 1 1 1025 1 1 1 1395 1 1 2668 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 1 148.0193 *148.0202* 148.0202@2.936969 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 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 1 1 1 1 1 1 1 148.0202 *148.0206* 148.0206@2.0275362 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 1 1 1 1 1 1 1 1 2686 1 1 5825 1 2516 1 1 1 3504 1 1 1 1 1 4632 2443 1 1 1 1 1 1 1 1 1 1 1 1 2424 1 1 4203 1781 1 1 1 1 1 1 148.0206 *148.0218* 148.0218@2.9696484 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1260 1 1 1 1 148.0218 *148.0222* 148.0222@2.050767 1 1 1 1 1 1 1 1 1 1 1 3166 1 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 1 148.0222 *148.0287* 148.0287@2.059727 1 1 1 1 1 1 1 1 1 1 1 1 1 3815 1 1 1 1 1 1 1 1 1 2664 1 1 5423 1 1 1 1 1 1 1 1 1 1 1 2711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0287 *148.0406* 148.0406@1.9309678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 148.0406 *148.0447* 148.0447@1.9347141 1 1 1 1 1 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 2352 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 1 1 1 1334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0447 *148.0517* 148.0517@5.648319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1750 1 1 148.0517 *148.0548* 148.0548@1.9585556 4961 15550 1 1 1 1 1 1 4688 5271 1 1 4139 1 1 3778 1 1 1 1 1 1 5974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6590 1 2036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2604 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 1 148.0548 *148.056* 148.056@1.9629202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.056 *148.0573* C3 H8 N4 O3 1 1 4610 5021 1 5838 9398 1 1 1 1 1 1 3936 2702 1 1 1 6836 6219 1 1 1 6542 5294 5691 9982 9470 4251 5588 6103 6633 6406 1 1 5079 1 1 1 5351 1 1 2808 3092 5422 1 1 1 7759 1 7396 7983 6512 7570 8689 1 5747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6863 7214 1 7700 1 1 1 1 9640 8539 1 1 9677 8971 9986 10017 148.0573 *148.063* 148.063@1.9670913 1 1 1 1 6088 1 1 1 1 1 5293 6079 1 1 1 1 5349 6436 1 1 7066 7606 1 1 1 1 1 1 1 1 1 1 1 4040 5354 1 5985 6823 1 1 5725 7890 1 1 1 3917 6920 8003 1 5436 1 1 1 1 1 1 1 4895 8163 8459 9338 11215 6876 7598 11024 11777 1 12200 7923 5821 9114 9217 6808 5970 1 1 7629 1 16471 15667 9904 10958 1 1 11076 9433 1 1 1 1 148.063 *148.0708* 148.0708@3.321619 1 1 1 1 1 1 1 1 1 1 2646 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 3691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0708 *148.0716* 148.0716@3.1831388 1 1 1 1 1 1 1 1 1 1 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 2676 2354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0716 *148.0724* 148.0724@3.323356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6198 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 1 148.0724 *148.0727* 2,3-Dihydroxy-3-methylvaleric acid 6864 6756 8733 9082 8403 1 14509 13711 1 10225 1 1 11844 1 7048 6871 14574 14417 15152 15530 1 1 13494 14319 6561 6547 9740 5739 1 1 1 1 1 10148 1 12555 16726 7924 13291 13978 1 13584 1 1 1 12905 12806 13317 1 1 8949 9340 15147 16218 1 1 8797 9208 16603 1 13417 14139 12266 12746 11694 12590 15487 1 16082 1 21108 1 11239 10240 11861 11242 14999 14057 25018 26095 15931 1 1 41479 18127 18472 1 9867 1 23243 148.0727 *148.0728* 148.0728@1.7426972 1 1 1 1 1 1 1 1 1 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 10519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0728 *148.909* 148.909@1.2102157 1 1 1 1 1 1417 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 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 1 148.909 *148.9098* 148.9098@3.043137 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.9098 *149.0221* 149.0221@0.65838975 1 1491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4095 1 1733 1 1 1 1 1 1697 1 1 1 1 1 1 3645 1 1 1 1 1056 1 1 1 1 1 1 2419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 149.0221 *149.0224* 149.0224@1.6325525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 149.0224 *149.0228* 149.0228@1.2925926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2709 1 1 1397 1 1 1 1 1 1 1 1 1 1 1 2545 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 2352 1 1 1 1 1 1 1 1 1 1 1 1 149.0228 *149.0257* 149.0257@2.0062568 1 1 1 1 1 1 1 1 1 1 1 1 1663 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 149.0257 *149.0426* 149.0426@1.9530183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3413 1 1182 1 1 1 1 1 1 1 1 1 149.0426 *149.0454* 149.0454@1.9536126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 149.0454 *149.0468* 149.0468@1.1645362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 149.0468 *149.049* 149.049@5.834314 1 1 1 1 1098 1 1 1 1 1 1591 1554 1 1 1 1 1168 1178 1 1 1 1 1 1 1 1 1 1 1 1 1285 1 1146 1156 1 1 1 1 1 1082 1206 1083 1464 1018 1 1 1 1 1 1 1 1 1078 1 1 1 1 1015 1161 1 1835 1414 1 1 1698 1692 1 1044 1266 1727 1599 1582 1484 1214 1 1 1480 1444 1129 1123 1390 1399 1066 1346 1574 1575 2821 3107 1150 1249 149.049 *149.0513* 149.0513@1.966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 149.0513 *149.9995* 149.9995@4.3985176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2146 1 1 1 1 1 3644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 149.9995 *150.0022* 150.0022@3.7821987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2557 1 1 1 1 1 1 2915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4534 1 1 2546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2659 1 1 1 1 1 150.0022 *150.0022* 150.0022@3.3889613 1 1 1 2725 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0022 *150.0032* 150.0032@2.4161315 1 1 1 1 1 1 1 1 1 1 1 1 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 1 150.0032 *150.037* 150.037@2.947265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 150.037 *150.0374* 150.0374@0.8286011 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0374 *150.0375* 150.0375@0.9769476 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 1677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4424 1 1 2618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0375 *150.0381* 150.0381@0.68167806 2952 1 1 8255 1 1 1 9237 1 1 1 1 11239 7038 6304 1 3148 1 1 8191 6448 1 1 10393 1 1 1 1 1 1 6338 11526 4953 1 10506 1 1 10927 2647 1 11921 1 1 1 1 1 1 1 6257 7819 1 2517 12970 2323 11302 7768 1 1 1 6978 5421 1 1 1 5321 8381 1 1 1 13691 10191 9458 12836 3266 1 3461 1 10252 1 1 1 1 1 1 8771 1 1 10693 10992 7758 150.0381 *150.0382* 150.0382@1.0899247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0382 *150.0382* 150.0382@2.0794399 1 1 1 3496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0382 *150.0388* 150.0388@1.3553487 2749 1 1 1 1 1 1 1 1 1 1 1 1 1 1978 1 1 1 1 1 2906 1 1 1 1 1 1 1 1 1 1 1 4522 1 1 1 1 1 2883 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 1392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4510 1 1 150.0388 *150.0389* 150.0389@1.5353174 1 1 1 1 1 1 1 1 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 2269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0389 *150.0397* 150.0397@2.8847792 4556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 150.0397 *150.0403* 150.0403@2.9084654 7856 1 1 1 7472 8528 6759 1 1 6273 1 1 1 1 1 1 1 1 8055 1 4239 1 3935 4672 1 13773 1 9416 11623 10060 1 1 1 1 1 1 1 1 1 3421 1 1 1 1 1 1 1 7243 3045 1 2597 1 1 4865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4674 1 1 1 11771 1 5150 6451 1 12952 1 1 1 1 1 1 1 17540 1 1 1 150.0403 *150.0406* 150.0406@2.0100758 1 1 1 2546 1 1 1 1 1 1 1 1 8352 7809 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 4233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5458 1 1 1 1 1 1 1 1 1 1 1 1 1880 1 1 150.0406 *150.0423* C7 H6 N2 O2 10418 1 1 8152 1 1 1 10261 1 1 1 1 1 6371 10000 1 7391 8019 9100 17726 8627 1 7775 13868 1 1 1 9066 6292 9957 1 1 8697 7953 12393 7851 1 1 1 7876 6431 9546 1 16356 8651 1 19133 9687 1 1 14472 9748 1 11450 15059 8782 6807 8029 15403 11490 13200 16249 1 1 11420 14025 12102 10252 1 10438 13342 15663 8993 12160 12127 10770 1 11536 1 1 1 1 12895 1 16514 11185 13959 14726 1 12262 150.0423 *150.0427* 150.0427@1.8521855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0427 *150.0435* 150.0435@2.9089746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7089 1 1 1 1 1 1 1 1 1 1 1 150.0435 *150.0443* 150.0443@2.3903644 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0443 *150.0447* 150.0447@2.4073231 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5588 1 5739 1 1 1 1 1 5450 1 1 1 1 1 1 1 1 1 1 1 150.0447 *150.0475* 150.0475@3.048718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26968 38523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0475 *150.0478* 150.0478@2.95463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0478 *150.0479* C4 H10 N2 O2 S 4519 1 9853 10286 1 1 11949 1 8887 9042 1 6090 10697 8728 7701 1 11234 13755 1 1 11408 11810 1 1 1 1 18461 15943 1 1 19544 18367 1 7777 1 1 1 1 10170 7460 13965 10918 1 1 1 1 9777 1 9659 1 15364 13902 1 1 7202 1 1 1 1 1 21477 1 15526 12072 1 1 1 4696 11478 16646 1 1 10895 1 11799 11629 16879 17754 1 1 1 1 19106 14624 1 1 1 1 18122 18980 150.0479 *150.048* 150.048@3.59171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17348 1 1 1 1 1 1 1 1 20686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.048 *150.0519* 150.0519@3.5827878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27666 27592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18696 1 1 24702 26865 1 1 1 1 1 1 25634 26480 32440 31264 1 1 28198 24941 1 1 1 1 1 1 190124 195998 34814 31051 1 1 41834 47089 29341 27569 1 1 150.0519 *150.155* 150.155@3.577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 150.155 *151.0013* 151.0013@0.7012311 22197 1 1 1 1 1 1 1 1 1 1 1 1 27265 33668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20833 1 1 30837 1 1 1 1 1 1 1 1 1 1 1 42000 1 1 151.0013 *151.0013* 151.0013@2.0819404 20539 1 1 1 1 1 1 1 1 1 1 1 1 12393 1 1 1 1 1 1 20827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11947 1 1 13081 1 1 1 1 1 1 1 1 1 1 1 30586 1 1 151.0013 *151.0013* 151.0013@1.9546531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0013 *151.0013* 151.0013@1.1123224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0013 *151.0013* 151.0013@2.8971806 5963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0013 *151.0014* 151.0014@1.0033952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21639 1 1 1 1 1 44830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10767 1 1 10084 1 1 1 1 1 1 1 1 1 1 1 23023 1 1 151.0014 *151.0014* 151.0014@0.80632854 1 1 1 1 1 1 1 1 1 1 1 1 1 23064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10554 1 1 15090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0014 *151.0014* 151.0014@2.0585515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0014 *151.0014* 151.0014@2.9410107 10307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34352 1 1 1 43299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0014 *151.0014* 151.0014@0.88613033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13304 1 1 14853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0014 *151.0015* 151.0015@1.2476661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9745 1 1 1 1 1 11518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5528 1 1 8995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0015 *151.0015* 151.0015@5.6214905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19517 24255 1 1 1 1 1 1 1 1 1 1 1 1 151.0015 *151.0016* 151.0016@1.5734771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0016 *151.0616* 151.0616@0.84115344 1 1 1 1 1 1 19170 17923 1 1 1 1 18242 18240 1 1 36598 36984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 53676 54782 1 1 1 1 1 1 1 1 25844 25163 1 1 1 1 1 1 1 1 1 1 41889 42148 151.0616 *151.063* 151.063@1.1907742 1 1 1 1 32546 30500 9828 9398 1 1 1 1 18492 20691 1 1 69481 68914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34750 34744 1 1 1 1 1 1 1 1 28268 29318 1 1 178598 186415 1 1 1 1 1 1 179091 173272 151.063 *151.1652* 151.1652@1.1884013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3259 1 1 1 1 1 1 3018 3109 151.1652 *151.8931* 151.8931@2.0518508 3432 1 3434 2865 3261 3638 3269 3129 3589 3460 3510 3298 1636 1 3106 2946 2709 3365 1 2415 3218 1 1 2711 3315 3250 3191 1 2395 1 3825 3572 3473 4289 3260 3704 3703 3447 3344 3656 3592 3404 3668 3849 3716 3333 3473 3443 1 3123 1989 3226 3759 4037 3728 3734 2521 1 1 1 3685 2779 4029 3894 3773 4077 3687 3302 1947 4142 1 3970 3965 3723 4059 3907 3594 1 3357 3876 1 3766 3684 3303 3542 1 3590 3621 1 2947 151.8931 *151.8932* 151.8932@2.9757352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1361 1 1 1 151.8932 *151.8936* 151.8936@2.6549957 1 1559 1 1 1 1282 1428 1 1 1 1555 1 1 1 1 1438 1377 1102 1 1 1 1 1981 1910 1 1 1 1 1 1 1 1 1 1 1174 1 1 1294 2173 1 1763 1707 1 1 1 1 1414 1 1 1352 1 1 1523 2045 2306 1 1 1 2011 1821 1828 2166 1022 1 1 1192 1776 1857 1327 1 1 1 1131 1274 1 1 1 1 3448 2807 1 1 1515 1 2220 2569 1 1 1 1 151.8936 *151.8938* 151.8938@2.1006207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 151.8938 *151.9215* 151.9215@1.1053579 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 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 1 151.9215 *152.0063* 152.0063@3.5414991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1258 152.0063 *152.0071* 152.0071@0.9017396 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 4053 1 1 1 3467 1089 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 1535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 1 1 152.0071 *152.0088* 152.0088@2.9523702 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 1624 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 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 1 152.0088 *152.009* 152.009@1.6571399 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 3946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.009 *152.0095* 152.0095@2.9786773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2185 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 1486 2488 1 1 1 1 1 1 1 2000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0095 *152.0106* 152.0106@1.406076 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0106 *152.0117* 152.0117@2.8403935 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0117 *152.0123* 152.0123@2.8800514 1 1 1 1 1 1 1 1 1 1 1 1 3702 1 1 1 1 1 2936 1 1 2755 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 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 1 152.0123 *152.0127* 152.0127@2.9660902 1 2437 1 1 5820 7867 1 1 3763 1 1 3125 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 8477 1 1 1 1628 1 1 1197 1 3220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3069 1 4741 1 1 2302 2619 1 1 5124 1 1 1 1 1 152.0127 *152.0127* 152.0127@0.6898339 1 1 6363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1654 1 1 1 1 1 1 2704 1 1 1 1 1 1 1 1 1 1 4901 1 2559 1 1 1 1 1 1 1 1 1 1 1 2227 1 1 1437 3614 1 1 1 1 1 1 1 1 1824 1 1 6232 1 1 1 1294 1 1 1 1 1 1 1 1 1 1 1 1 1 3214 1 1 1 152.0127 *152.0131* 152.0131@0.65909326 1 3029 1 1 2821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0131 *152.0135* 152.0135@1.2162564 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 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 1 152.0135 *152.0151* 152.0151@2.216796 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 1173 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 1832 1 1 1 2809 1 1 3797 1 1 1 1 1 3975 1 1 1 1 1 1 1 152.0151 *152.0166* 152.0166@2.167328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 152.0166 *152.0225* 152.0225@2.1300201 5198 1 1 4007 5859 1 1 9824 1 2713 1 2346 1 2946 1 1 3393 1 6134 1 1 1 1 1 7466 5689 1 1 1 1 1 8253 11468 5266 1 1 1 2317 1 1 1 1 1 4707 5947 1 1 1 5271 1 1 1 1 3416 1 5885 1 5136 1 1 4932 1 3990 1 1 1 1 6445 1 1 1 1 1 1 1 1 1 1 3926 1 1 10500 1 2519 1 3939 3788 1 3777 4741 152.0225 *152.0226* 152.0226@3.0206337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7446 7856 1 1 1 1 1 1 1 1 1 1 152.0226 *152.0241* 152.0241@2.2486339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4463 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 2170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6220 1 1 1 1 1 1 3862 1 1 1 1 152.0241 *152.0249* 152.0249@3.179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4127 1 1 1 1 1 1 1 1 1 1 152.0249 *152.0262* C11 H4 O 1 2488 1 1 1 1 11132 1 1 1 1 1 1 1 1 7978 7392 7726 1 1 1 1 5967 11174 1 1 1 1 1 7311 1 1 1 6126 5024 1 8465 12673 11156 1 10791 14540 1 1 1 1 11188 11102 1 1 5287 5655 12365 10360 1 1 1 1 10032 17137 4009 5532 4990 10737 7513 7198 6690 4544 1 2485 15477 15137 9392 4855 1 6262 8166 1 12068 13993 13299 7257 5680 5629 12332 4243 1 1 9779 8383 152.0262 *152.0289* 152.0289@1.0722258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 152.0289 *152.0303* 152.0303@2.0230815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0303 *152.0325* Xanthine 120626 106076 124176 120428 106240 105846 163186 163532 115068 98943 150337 144765 79689 78838 105086 142087 145761 160146 139812 128075 106087 108646 108956 114595 92394 94082 114582 98845 111724 118885 118921 116049 83258 77082 139034 145396 209848 223392 146219 144190 216056 216731 90681 103476 102477 105974 190466 185236 132127 137262 130206 148992 196565 198763 185446 178399 105578 106038 245650 244418 281452 278974 210554 222464 205848 213414 242318 235936 148658 161856 292512 275903 145401 158830 163958 159958 170418 165735 265190 266680 251847 247185 196775 192215 255351 254353 132921 131256 179535 175192 HMDB00292 C00385 152.0325 *152.0329* Oxipurinol 151096 165633 148649 149777 126197 124945 217373 203889 148140 161884 158018 170555 150281 151462 206798 177294 190247 177998 201525 214629 134978 135512 189979 194998 122359 121766 107103 103133 137879 135830 153584 159103 145624 148521 180350 176905 256294 254365 260102 261019 263058 261934 133289 127596 156669 151346 224117 222026 172825 165057 154504 159855 254442 250968 196768 196055 129010 125444 290619 288782 248598 256038 219523 206216 205175 202004 137119 140728 179974 175188 229379 241144 172575 170409 172654 174738 168033 166904 246029 236351 235543 240442 176266 185070 238930 239749 101141 107617 203010 202975 C07599 152.0329 *152.0357* 152.0357@1.0709826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3063 2745 1 2423 1 1 1 1 1 1 152.0357 *152.0449* 152.0449@1.619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 152.0449 *152.062* 152.062@2.5110948 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 1 1 1 1 1 1 1 1615 1 1 2023 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.062 *152.0651* C9 H12 S 1 1 1 1 1 1 1969 1413 1 1 1 1 1 1 1 1 1 1 1 2577 1 1 1 1 1 1 1 1 1534 1 1 1 1032 1 1737 1 2360 2645 2032 2366 1960 2447 1 1 1 1 1 1934 1 1 2640 2416 1 2437 1403 1 1 1 2613 2361 4095 4111 3002 2607 1701 1302 1 1 2079 1 5005 4710 1 1 1 1379 3365 2920 3212 3138 3346 3775 2453 2307 5177 4603 2443 2303 3909 3992 152.0651 *152.1352* 152.1352@1.8713373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 152.1352 *152.1358* 152.1358@1.955648 1122 1 1067 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 2098 1 1 1 1 1 2284 1 1 1538 1 1807 1904 1307 1867 1 1 1 2297 1 3630 1849 3048 1 1 1 1 1 1374 3892 3360 1498 1454 1746 1826 1 1674 1 2315 3101 1 1 1 7014 1 1 1 1 1223 152.1358 *152.136* 152.136@1.8833106 1884 1 1328 1 1 1076 1 1 1979 1 1 1 1 1 1 1 1 1 2598 3484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1162 1 3808 2863 1 2424 1380 2525 1 1 2553 1 1 2892 1 1 1951 1 3853 3831 2351 2213 1693 1079 1 5180 1 3463 1 2480 1 1842 1 1957 1321 1 1581 1 2279 1435 2231 1225 1 1254 1 1807 3511 3493 1 2653 1 1 1 1233 1 1827 152.136 *152.1764* 152.1764@1.9475852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1246 1 1 1 1 1 1 1 1 1447 1 1 1 1 1 1 1 1 1 1 1 1 1 1564 1 1 1 1 1 152.1764 *152.1809* 152.1809@1.9523873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 152.1809 *152.8837* 152.8837@1.198197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1063 1 1 1 1 1 1478 1636 1 1 1 1 1 1 1 2070 152.8837 *153.0121* 153.0121@2.8773408 1 1 3236 3263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1766 1151 1 1 1 1 1 1 1 1 1 1 1 1 1 2077 1 1 1167 1 1 4056 2817 1 1 1 3113 1536 1861 1 1 1 1925 1 1 50203 52563 1527 2606 1 1 1 1 1 1 1 1 153.0121 *153.0137* 153.0137@2.8530276 1 1 1 1 1 1 1 1 1 1 1800 1 1 1 1 1 1718 1 1 1 1 1 1 1 1858 1 1093 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 1 1 1 1 1 1 3760 1 1 1 1 1 1 1 2133 2142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2376 1 1 1932 153.0137 *153.015* 153.015@0.9439066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4094 1 1 1 1 1 153.015 *153.0166* 153.0166@0.65860057 1 1 1 1 1 1 2234 2189 1 1 1733 1 1 1 3013 1 1 1 4192 1 1 1 1 1 1 1 1 1 1 1 2851 1 1 1 1 1 1 1 1 1 1 1 1 1661 1 1 2507 2765 1 1 1 1 1 1 1 1 1 1 4103 1739 3757 1 1 1 1 1 1 1 3967 1154 1 1 1 1 1 1 1792 2276 1 2150 1 1 1 1354 6696 1 4040 3061 1 1 153.0166 *153.0167* 153.0167@1.7996434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 153.0167 *153.0169* 153.0169@1.3367461 1 2610 1383 1 2066 1 1 5179 1 1 1 1 1 1 2409 1 1 1 1 1 1750 1712 1 1 1 1 1 1 1077 1 2401 1 1 5858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1388 1 2837 1 1 1 1 1 1 3938 2581 1 1 1 1 1784 1 1119 2614 1 1 1 2213 1 1 6878 1 2519 6804 1747 7256 1 6837 1 1 1 2045 2729 153.0169 *153.0171* 153.0171@1.2524593 1127 1 1 1 1147 1 1 1 1 3214 5166 1 1 1328 1560 1 1777 1983 1 1 1312 1258 1 4423 1 1 1836 1 2576 1 2945 2001 4061 1 3112 1389 1 1 3146 1 1 1 2868 2377 1 1 1 2196 1 3373 5111 1 1992 3450 1 1 1 1 2464 1 1 1 1 1 1 1 1 2676 1 1348 1781 1 3131 1 1 1 3558 1970 1 4340 1977 1592 1 1 1976 1 4826 1989 2430 1183 153.0171 *153.0173* 153.0173@0.7791601 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 1639 1 1 1 1 1 1 1 1 1 1 1 1344 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 1823 1 1 1 1 1648 1 1 1566 1 1 153.0173 *153.0178* 153.0178@3.019085 1 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 2817 1 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 1200 1641 1 1 1 1689 1 1 1 1352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1046 1 1 1 153.0178 *153.018* 153.018@1.3655078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 153.018 *153.0188* 153.0188@0.9135255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3671 7088 1 1 1 1 1 1 1 1 1 1 153.0188 *153.0193* 153.0193@2.0552623 1 1 4358 1 3292 1 1 1 1 1 2668 1 1 1 1 1730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2809 2998 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 1306 1 1 1 2189 1 1 1 1 1 1 4731 1 1 153.0193 *153.0199* 153.0199@2.068007 1 1 1 1 1 1 1 1 1 1 1 1397 3040 1 1 1 1 1 1 1 2115 1 1 1 1 1 1 3067 1 1 1 1 1 1 1 1 1 3915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3839 1 2896 1 7657 2692 1 1 1 1 1 2607 1 1 5638 1 2315 1 1 1 1 1 1 1 1218 7043 1 1 1661 1 1 153.0199 *153.0199* 153.0199@2.0983477 1 1 1 2617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3395 1 1 1 2631 1 1 153.0199 *153.0212* 153.0212@1.1555248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1252 1 1 1 1 1 1294 1 1 153.0212 *153.0229* 153.0229@3.1159887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 153.0229 *153.023* 153.023@1.6351402 1 1 1 1 1 1 1 1622 1 1 1 1 1 3009 1 1745 1 1 1 1 1 1 1 1 1 2469 1 1 1 1 1 1 1 1 1 1 1 1969 1 1 1 2038 1 1 1 1 1 1 1 1 2138 1 1 1 1 2119 4540 1 1 1 4413 1 1 1 2255 1493 1 1 1220 1 1 1 2110 2738 1 2332 1 1 5388 9669 1 1 1 2250 1 1 1 1953 1 3919 153.023 *153.0246* 153.0246@1.615669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0246 *153.026* 153.026@1.994534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 153.026 *153.0267* 153.0267@4.911875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 153.0267 *153.0331* 153.0331@1.9267257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0331 *153.0339* 153.0339@4.308935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 153.0339 *153.0409* C7 H7 N O3 5938 6555 7012 6949 7262 6961 6570 7058 5151 5664 6901 6685 6889 8654 8024 8438 7098 7385 6012 5324 7288 7162 6066 8407 7818 7321 6706 6557 8022 6478 9093 8175 8597 9149 8768 8002 7388 8710 6513 7001 8602 8953 7022 6844 7856 8974 8261 7307 8445 7495 10165 10776 9737 9843 10194 10419 9671 9536 9850 9510 9731 8617 7515 8229 11330 11513 7741 10139 8323 7113 6915 7185 8554 8900 7936 6518 6213 7801 9138 9542 10568 10488 9047 8495 8449 9270 8940 9180 8898 8975 153.0409 *153.069* 153.069@1.732183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3453 1 1 1 1 1 1 1 1 1 1 1 153.069 *153.0739* 153.0739@1.9669595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6478 7361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0739 *153.0744* 153.0744@1.6123044 1 1 1 1 1 1 1 1 1 1525 1 1 1 1 1 1 1 1 1 1 1 1 1 1085 1 1 1 1 1 1 1 1 1 1 1657 1 2180 2128 1189 1532 1 1 1 1 1572 1 1570 1715 2686 1 1 1 1 1 1 1 1 1 1355 1 1 1549 1 1 1 1 1 1 1 1372 1729 1756 1 1 1 1 1 1530 1 3081 1 1221 1 1 1017 1 1 1 1 1182 153.0744 *153.8899* 153.8899@2.052086 1 1 1 3102 3241 2332 3144 1983 3006 3279 2910 2883 1 1 1133 3216 1 1 1 2658 3028 1 1 1 2740 1 2858 2353 1 1 3531 2780 1 3477 3220 1 3027 3976 3785 3012 2778 2118 3260 1 3016 2982 1 3447 2879 1 1 2991 3323 3499 3382 2921 3354 3444 3364 3818 3399 3401 3582 4096 3782 1 3370 3324 1 3740 1 3432 3658 3362 4214 3935 3789 3602 1 3523 3509 3296 3484 3333 1 3658 3200 1 1 3238 153.8899 *153.8902* 153.8902@2.9920578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2243 1 1 1 1 1 1 1 1 1 1 1 2580 1 2551 1 1 2800 1 1 153.8902 *153.8903* 153.8903@2.6547604 1260 1456 1 1 1065 1158 1342 1 1 1 1684 1393 1 1 1520 1117 1435 1 1 1 1 1 1574 1795 1 1 1 1 1 1 1 1 1 1 1431 1 1610 1693 2128 2170 1777 1852 1 1 1 1 1430 1 1430 1 1 1 1637 1792 2304 2512 1 1 1958 2079 1 1971 1 1 1 1 1825 1713 1 1 1815 1 1 1191 1 1 1 1 3350 3144 1481 1 1325 1 2055 2542 1 1 1 1 153.8903 *153.8907* 153.8907@2.0937514 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.8907 *153.9965* 153.9965@0.8402795 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5636 4501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.9965 *153.9987* 153.9987@0.8380653 1 1 2349 1 1 1 1 1 1 1 1 1 1220 1 1 1 1 1 1195 1312 1 1 1 2070 1 1 1 1378 2126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1674 3403 1989 1 1 1 1 1 1 1 1 1 1 1 1325 1 1495 1623 1 2649 3892 1 1 1154 1 1 1 2830 2110 1 1 1 1 1 1 1716 1 1 1 1 1 1 1 1 1 1 1 153.9987 *154.0055* 154.0055@0.83839834 1 1 1 4035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2001 1 1510 2368 2456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1995 1 1 1 1 1 1 1 1 1 1 2423 1 1 1 1 1 3217 2549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2156 1791 1 1 1 1 154.0055 *154.0119* 154.0119@0.8486475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 154.0119 *154.0181* 154.0181@0.8469386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3215 1 1 1 1 1 1954 1444 1 1 1 1 1 1 3646 1 1 1 3073 1560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1790 1 1 1 1 1 1 4060 1 1 1 1 1 1 154.0181 *154.0191* 154.0191@1.9551499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4642 5233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0191 *154.0218* 154.0218@1.0655012 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 1772 1 1538 1 1 1 1 1 1 1 1788 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 1676 1 1881 1413 1 1 1 1054 1 1 1 154.0218 *154.0237* 154.0237@0.8458333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5076 6525 1 1 1 1 1 1 3233 1 1 1 1 1 1 1 154.0237 *154.0265* 154.0265@1.3013393 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 1134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3967 1 1 1 1 1 2350 1 1 1 1 1 1 1 1 1 1 1 1 1 1639 1 1 1 1 2055 1 1 1 1 1 1 4455 1 154.0265 *154.0287* 154.0287@1.0647901 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 1406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1722 1 1 1 1 1 1 1 1 1 1902 1170 1 1 1 2093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1424 1 1 1 1 1 1 1 1 1 1 1 154.0287 *154.0307* 154.0307@1.0571967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 154.0307 *154.0309* 154.0309@1.9588081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5625 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 1 1 1 1 1 1 1 1 154.0309 *154.0314* 154.0314@1.6523277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 5724 2631 1 1 1 1 1 1 1 1 1 1 154.0314 *154.0327* 154.0327@1.6283392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0327 *154.0375* Acipimox 54625 53482 71762 71297 47073 46249 62241 62903 57365 56383 87560 91541 48275 47284 64750 65183 74321 76849 73197 76451 84963 87105 49486 53752 41269 41387 79928 77609 41993 41748 107364 106997 104716 105510 71009 70232 74109 74159 64481 65200 65643 64211 57099 62154 53162 52883 66423 66541 92960 92172 78052 73282 74411 71242 52784 52904 68475 67453 50874 50048 98726 99585 92121 89886 91843 90088 177840 181580 89379 88881 131131 130930 52739 54551 88063 89733 76087 76357 90036 89468 86857 84678 75881 76958 122726 119739 107293 110405 77516 74745 154.0375 *154.0387* 154.0387@1.621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 154.0387 *154.0404* 154.0404@1.3388582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0404 *154.0604* 154.0604@1.130488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1598 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0604 *154.0716* 154.0716@5.637575 2408 2578 2096 2574 2467 2464 2412 2553 2359 2855 2309 2478 2321 2502 2394 2800 2508 2661 2577 2536 2149 2036 2259 2397 2135 2341 1954 2377 1821 1 2610 2447 2306 2424 2298 2337 2006 2198 2561 2101 2303 2305 2421 2411 2090 2216 1992 2114 2394 2498 2764 2648 2491 2828 2867 2556 2694 2564 2171 2352 3223 2955 2813 2569 3158 3208 2847 2654 2390 2623 3433 3017 2765 2425 2785 2669 3003 3019 3336 3011 3226 2950 3073 2947 3538 3018 2739 3685 3111 3081 154.0716 *154.0993* 154.0993@1.1497687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 154.0993 *154.1426* 154.1426@2.1728673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1845 1762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.1426 *154.8752* 154.8752@2.0979457 1 15679 1 15020 16254 25783 1 1 1 13658 1 1 7317 1 1 1 12695 1 1 11727 16580 12205 1 1 27050 28380 26357 1 1 1 1 4711 28169 1 19523 19472 1 1 13159 16859 17411 1 1 1 18146 13745 1 26170 1 1 1 1 23246 1 17803 12409 1 1 19684 1 23538 32025 1 17117 1 19327 13750 16863 1 27137 1 1 1 1 16586 1 1 1 32066 21957 32902 11182 1 1 40387 1 25358 1 20786 1 154.8752 *154.8752* 154.8752@0.67453504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9739 1 1 1 1 1 1 12131 1 1 154.8752 *154.8754* 154.8754@1.2029905 11795 1 11958 1 15902 1 1 1 1 1 1 1 15409 1 13551 1 1 15269 13595 14773 14065 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2721 1 1 1 1 1 1 154.8754 *154.8754* 154.8754@2.1632595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18330 1 1 1 1 1 1 13354 1 1 1 1 1 1 18230 1 154.8754 *154.8755* 154.8755@2.9781055 1 1 36364 1 22275 35085 1 1 18070 34856 19204 33388 1 1 1 33590 22245 1 1 12875 31114 28633 1 1 40995 1 18730 18376 1 36482 32944 1 25199 14835 1 1 1 13044 1 1 1 1 25366 1 44195 1 1 1 32334 23360 1 1 1 1 15191 1 1 1 22767 25949 1 1 37456 36297 10831 1 19806 14075 15190 1 1 1 1 1 1 1 1 1 1 1 9832 1 1 1 1 1 1 1 1 1 154.8755 *155.0536* 155.0536@1.275604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.0536 *155.0623* 155.0623@2.9577217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5648 1 1 1 1 1 28082 1 155.0623 *155.0682* 155.0682@2.9621603 1 1 1 1 1876 1477 2977 3211 1 1 4127 3885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2386 2084 1 1 1 1 1 1 2574 2549 1 1 1 1 1 1 1 1 1 1 2923 3576 1 1 2034 1852 1 1 5706 5278 1 1 5852 5913 3469 3521 5461 5523 3252 2579 1 2821 6017 5652 4946 5458 1 1 1 1 1 1 7481 7965 1 2842 1 1 155.0682 *155.8802* 155.8802@2.0791328 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 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 3148 3119 1 2199 1 1 1 1 1 1 1 1 1 1 1 2398 1 2492 155.8802 *155.8842* 155.8842@2.9471016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 155.8842 *155.9629* 155.9629@1.8908725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1158 1 1 1 1 1 1 1 1 1 1 155.9629 *155.9799* 155.9799@6.9368086 3700 4129 1 2666 1 4605 1 1 1 1 1 3003 1798 1639 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9799 *155.9801* 155.9801@6.2974286 1 3865 1 1 8521 6716 4700 1 1 1 2467 1 1550 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9801 *155.9806* 155.9806@4.2674294 13767 10895 10648 2799 1 1 10447 6050 9460 1 5355 1 1 1 1 1 1 3384 1 1 1 2769 2724 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9806 *155.9806* 155.9806@1.4432733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 155.9806 *155.9808* 155.9808@5.6560407 4740 4900 2572 1751 3484 3570 3823 3934 3615 2600 2181 1 8564 1 2507 2558 1 1 1 1483 2158 1 3330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9808 *155.9808* 155.9808@5.7865705 11124 6595 1 4474 5062 6131 5497 1 1 4119 3629 1 1 1 3481 2888 3412 2123 3941 1 3185 2051 1 2204 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 1 155.9808 *155.9808* 155.9808@5.831638 1 2557 1 1 1 1 1296 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9808 *155.9842* 155.9842@0.8850103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1803 1 1 1071 1 155.9842 *155.9844* 155.9844@1.8056101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 155.9844 *156.0021* 156.0021@1.0069231 1 1776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1881 1 1 1 1 3363 2878 1 1 1 1610 1 1402 1 1296 3265 2576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3528 2634 2229 2554 1278 1 1 1 1 1 1459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0021 *156.0028* 156.0028@1.9689904 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0028 *156.0063* 156.0063@1.6156411 1 1 1 1 1 1 1 1305 1 1 1 1 1 1 1 1 1 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 1 156.0063 *156.0065* 156.0065@1.9612148 1 1 1 1 1 1 1 1 1 1 2546 1 1 1 1 1 1 1 2534 2936 1 1 1 1 1448 1 1 1 1 1 1 1265 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 1470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2338 1 1 1 1 156.0065 *156.0067* 156.0067@3.3511527 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 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 3513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0067 *156.0072* 156.0072@1.009369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5793 5799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6951 8172 1 1 5935 6977 156.0072 *156.0079* 156.0079@2.5559087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5106 5025 1 1 1 1 1 1 1 1 1 1 156.0079 *156.0113* 156.0113@3.3612733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2107 1 1 1 1 1 1 1525 3088 1 1 1 1 1 1 1 1254 2415 1469 1 1 1 1 4712 1 3524 3275 1917 1648 1 1 1 3410 1 1 1 1 156.0113 *156.0149* 156.0149@3.351403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 156.0149 *156.0275* 156.0275@1.6110716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10094 11312 1 1 1 1 1 1 1 1 1 1 156.0275 *156.0504* 156.0504@1.7585189 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2081 1 1 1 1685 1 1 1 1 1 1 1537 1 1 1 1 1 1464 1 1 1 1 1 156.0504 *156.1495* 156.1495@1.637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 156.1495 *156.1498* 156.1498@1.1960548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 156.1498 *156.1502* 7E-decen-1-ol 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1622 1702 2644 2787 1 1 1 1 1 1 2558 2905 1014 1248 1 1 1 1 1 1 2954 3296 1 1 1 1 1 1 1 1 3713 3615 6634 6882 1 1 1 1 1 1 1564 1475 1 1 1 1 1 1 1898 2177 1 1 1 1 1 1 1 1 2438 2479 4087 3892 3296 3151 1 1 2638 2598 2329 2640 156.1502 *156.9125* 156.9125@0.76219535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2279 1797 1 1 2546 2166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.9125 *156.9531* 156.9531@1.9615642 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.9531 *156.9545* 156.9545@1.6171331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 156.9545 *156.9581* 156.9581@0.66517705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.9581 *156.9585* 156.9585@5.8313103 1 1286 1 6726 1582 1 1 1 1 1949 1983 1524 1 1 1311 1964 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 1 1 1644 1 1 1 1 2273 1 1 1 1 1613 1 1 1715 1 1 1 1 1 1 1 1917 1 1 2521 1 1 3623 1 1 1 1 1 1 1 1472 1 1 1 156.9585 *156.9585* 156.9585@3.8406394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4321 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 1 1 1 1 1 156.9585 *156.9585* 156.9585@3.0614326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.9585 *156.9586* 156.9586@3.4197617 1 1 1 1 1 1 1 1 1 1 1 1 1 5819 9447 1 1 1 1 6792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11155 1 1 156.9586 *156.9586* 156.9586@4.6573753 6048 1 1 1 1 1 1 1 1 1 1 1 1 4919 1 1 1 1 1 9521 2801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1846 1 1 156.9586 *156.9586* 156.9586@5.113332 1 1 1 1 1 1 1 1 1 1 1 1 1 5369 1 1 2738 1 1 4068 1612 1 1 1 1 1 1 1 1 1 1 1 2120 1 1 1 1 1 4044 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 1503 1 2267 1 1 1 1 1 1 1 1 1 1 1 5006 1 1 156.9586 *156.9586* 156.9586@3.7272007 6368 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 1 1 1 1 1 1 1 2176 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 156.9586 *156.9586* 156.9586@5.554292 1 1 1 1 1 1 1 1 1 1382 1 1511 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.9586 *156.9587* 156.9587@3.2606318 6064 1 1 1 1 1 1 1 1 1 1 1 1 1 5876 1 1 1 1 1 2244 1 1 1 1 1 1 1 1 1 10288 16254 10619 1 1 1 1 1 4218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5265 1 1 10964 1 1 1 1 1 1 1 1 1 1 1 2064 1 1 156.9587 *156.9587* 156.9587@3.2791271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.9587 *156.9587* 156.9587@4.1109724 13046 1 1 1 1 1 1 1 1 1 1 1 1 13474 20305 1 1 1 1 22981 20566 1 1 1 1 1 1 1 1 1 1 1 3796 1 1 1 1 1 2401 15748 1 1 1 1 1 1 1 15836 1 1 1 1 27024 14079 1 1 1 1 8805 1 1 1 1 1 1 1 1 1 1 1 1 1 8713 1 1 28109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.9587 *156.9587* 156.9587@3.901446 15934 1 1 1 1 1 1 1 1 1 1 1 1 15166 1 1 1 1 1 1 4359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2988 10861 1 1 1 1 1 1 1 1 1 1 1 1 1 6629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.9587 *156.9588* 156.9588@4.9007688 2380 1 1 1 1 1 1 1 1 1 1 1 1 7154 5943 1 1 1 1 5372 1 1 1 1 1 1 1 1 1 1 1 1 1858 1 1 1 1 1 6976 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 4995 1 1 2149 1 1 1 1 1 1 1 1 1 1 1 12195 1 1 156.9588 *156.9588* 156.9588@3.9703922 1 1 1 1 1 1 1 1 1 1 1 1 1 9126 1 1 1 1 1 1 4813 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.9588 *157.8554* 157.8554@2.9410875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9029 1 1 1 1 1 1 1 1 1 1 1 1 1 8371 1 1 1 1 1 157.8554 *157.9593* 157.9593@4.16438 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 3565 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 2634 1 1 1 1 1 1 1 1 1945 1 1 1 157.9593 *157.9599* 157.9599@3.5254116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.9599 *157.9599* 157.9599@3.863826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2145 1 1 1643 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 1 1 1 1775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.9599 *157.9603* 157.9603@3.2539842 1 1 1333 1 1 1 1 1 1 1 1 3940 1 1508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2367 1 1 1 4490 1955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2984 1 1 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.9603 *157.9604* 157.9604@3.3950481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2389 1 3148 1 1 1 1 1 1 1 1 1 1 1 1 4333 1 1 1 1 1 1 1 1 2986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.9604 *157.9605* 157.9605@3.6018155 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 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 1348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.9605 *157.961* 157.961@3.1905577 1933 1 1065 2937 1964 1 1 2547 1 4703 1 4834 1 1114 1 1 1120 1 3048 2468 1 1 1 1 1 1987 1 1 1 1 1 1 4977 1222 1 4671 1 1 1 1 1 1 1 1 1 1 1 1 1660 1 2576 1 1 4046 4851 1 1 1 1 1 4063 1 1 1 1 1 1 1 2399 1 1 1 2662 4862 1 3236 1 1 1 4568 1 1 1 1 1 1 1 1 2068 1 157.961 *157.9647* 157.9647@1.974387 1290 1 1911 1 1 2587 1882 1625 1546 1938 1 1 1 1420 1 1 1 1 1 1 1 1 1 1764 1 1 1 1 1 1505 1 1 1 1 1 1609 1 1 1665 1963 1411 1 1 1 2002 1 1221 1 1 1 1 1729 1 1 1 1 1596 1 1 1 1 1 1 1 1 1 1 1 1 1036 1 1 1 1 1 1 1438 1 1820 1 1 1 1 1 1 1 1 1 1 1 157.9647 *157.9654* 157.9654@1.646092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3330 1 1 1 1 1 1 1 1 1 1 1 157.9654 *158.0044* 158.0044@1.0811894 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 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 1 158.0044 *158.0176* 158.0176@4.1042624 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 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 1 158.0176 *158.0183* 158.0183@5.053872 1 1 1 1 1 1 2115 1 1 1 1 1 1 1612 2448 1 1 1 1 2767 1 1 1 1 1 1 1 1 1 1 1 1 4052 1 1 1 1 1 2069 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 1 1 1 1 1 3348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0183 *158.0183* 158.0183@4.3685017 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 1 1 1 1 1 1 1 1718 1 1422 1 1 1 1 1 1 2068 1 1 1 1104 1607 1 1 1 1 1495 1 1 1 1 1 1 1 1 1 1 1 1 1169 1012 1 1731 1 1 1 1 1 1 1 1 1 1 1 1 1 1622 1 158.0183 *158.0185* 158.0185@5.381623 1 1 1 1 1 1 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 3805 1 1 1 1 1 1 1 4074 1 1 1 1 1 1 1 1 1 3061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1274 1 158.0185 *158.0186* C10 H6 S 1 3094 3121 4880 1 4482 3733 1 4609 5806 4399 3024 1 2891 2876 4285 5244 8002 2855 4445 6122 1 5418 5117 7860 3920 7507 8947 4215 3011 3814 2753 4024 3892 2272 7450 1 3293 1331 16158 3532 15800 1 6650 1 1 1 9500 5366 4857 6825 4104 1 1 8724 5366 1 1 1 2713 1 1 1 1 6124 25582 1 8462 8865 1 5176 22755 7437 5011 7643 1897 6747 1 7550 4358 23153 1 1 1 1 1 9155 6950 4066 1 158.0186 *158.0186* C10 H6 S - 5.7267528 1 1 3771 4912 7413 3797 11232 1 5733 4117 5611 6413 2267 4230 9583 6026 1 4699 9937 7482 6976 9796 7750 6981 6903 5703 11442 7405 19656 13257 3954 4270 8714 3251 10399 3934 1 9652 11638 7800 7944 5870 23569 6868 20587 14637 21736 7431 11808 19754 13708 20691 1 8223 12308 4203 1 29523 30375 1 5687 9541 25112 6183 30149 9075 9658 26068 17674 4831 30591 8834 8588 12695 5768 29558 30976 11000 34301 35619 7931 1 1 1 8259 20799 7722 36544 13509 2133 158.0186 *158.0187* 158.0187@5.799598 1 1 1 4074 1 1 1 1 1 1 2811 3453 1 1 4072 4172 1 1 1 5607 1 1 1 6806 6139 3373 6300 5539 1 4211 1 1 4759 6562 1 5573 1 6494 2945 1 5817 1 1 5217 1 1 1 6778 1 5528 5416 7187 1 1 6936 3030 1 1 1 1 1 2284 1 1 1 1 1 1 1 1 1 1 6536 7401 1 10205 1484 1 2225 1 1 1 1 1 1 1 1 1 10904 1 158.0187 *158.0187* 158.0187@5.643589 1 1 1 2002 1 1 1 1 1 1 4961 8796 1 1 1 9158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5784 1 1 1 1 1 1 1 6978 1 1 1 1 1 1 1 1 1 7190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0187 *158.0278* 158.0278@1.894597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0278 *158.0368* 158.0368@1.9365363 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1387 1 12211 1 158.0368 *158.0414* 158.0414@1.9202734 1 2251 1 2668 1 1 1 1 1 1 1 1 1 1 1 1 1065 1 1 1 1227 1 1 1 1 1 1 1 1 1 1674 8139 1455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4166 1120 1654 1 1 1 1 1 1926 1 1 1 1 3653 6168 1 1 1 1 1287 1 7848 1 1 1604 1223 1243 38383 2676 1 2718 1489 3643 1 1 1 1661 1 1229 158.0414 *158.0426* Allantoin - 2.1088858 1 2985 1 1 1042 1 1 4782 1 1 1 4941 1 1 1297 1929 1 1 1 2505 4586 1 1 1 1 1 4394 1 1 1 1 1 4636 1 1 2691 3812 2057 1 1 3850 3060 1 1 1 1 1946 3847 1 1 3979 3002 1 3029 1 1 1 1 1 1 8666 1 5171 1413 4805 6016 1862 4209 1 3626 6022 1766 6703 1 1 1 1 6555 7701 8669 1 1 4111 5529 9260 6309 9874 6245 1 1 HMDB00462 C01551 158.0426 *158.0426* 158.0426@2.2659833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 158.0426 *158.0429* 158.0429@1.9944475 1 1 1 1 1 1 2309 1 1 1 1966 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 1332 1 1 1 1 1 1 1 1 1 2153 1 1 1 1 2224 1858 1783 1 1 1 1607 1 1 2857 11463 1 3616 1 3209 1 1 1 1 2060 4335 1375 1 4399 3817 1 1625 5355 1516 1 1 6380 1 2234 6470 2459 1 1 1 158.0429 *158.0432* Allantoin 6736 6586 12616 9737 2781 3306 11516 11740 8682 8763 8124 8109 3319 3822 5012 4218 11691 11445 5798 5860 7038 7646 2879 2755 5573 5989 9980 10549 1825 1 12417 3720 6846 7211 6266 6332 6454 6839 5269 4576 8916 9213 4348 4201 5267 4956 13470 13114 9598 10515 5457 2016 6686 6771 5316 5356 12502 13064 4165 4773 13940 13323 17795 16712 14120 10729 17509 17551 9542 8880 16215 17414 3449 11236 7538 7606 2910 5612 25092 62738 8644 9345 5909 11771 12347 13536 15160 14812 12735 12934 HMDB00462 C01551 158.0432 *158.0477* 158.0477@1.9762684 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 1 1 1 1 1 1 1 1 1 2369 1240 1 1 3564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0477 *158.0481* 158.0481@1.9728045 1 1 1 1622 1 1 1 2465 1 1 1 1 1 1 1633 2128 1 1 2646 1 1807 1 1 1 1 1 5141 4165 1 1 1 1 1921 2704 1 1 1 1 1 1607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3391 3448 1 1 5054 3905 3120 2363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0481 *158.0552* 158.0552@1.9741044 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0552 *158.0564* 158.0564@1.6485969 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6104 4752 1 1 1 1 1 1 1 1 1 1 158.0564 *158.0613* 158.0613@4.2041054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14163 13086 1 1 1 1 1 1 1 1 1 1 1 1 158.0613 *158.0859* 158.0859@1.976037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6738 1 1 1 1 1 1 1 1 1 1 2469 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 1 158.0859 *158.0891* 158.0891@1.9776175 1 1 1 1271 1 1 3592 2255 1 1 1 2531 1956 1674 1626 1 1 1 3334 1 1 1 1 1 2487 1 5302 1 1285 1749 3321 2757 2391 1484 2379 3215 1 1443 1 1 1 1 1 1 1664 1633 3561 3946 2745 3500 1 1 1 1 1 1 1018 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 1 158.0891 *158.093* 158.093@1.1837249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 158.093 *158.0944* 158.0944@1.1342573 1 1 1 1 1 1829 1509 3317 1 1 1 1 2051 1637 1132 1282 3041 2892 1846 1777 3205 1 1043 1371 1 1 1 1448 2779 1297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1359 1 1 1512 1 1 1 1 1 1 1 1 1 1 1 2568 3010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2160 8001 1 1 1 1 1 1 1 1 1 1 158.0944 *158.1294* (+)-6-methyl caprylic acid 10851 11451 13727 13682 29579 29837 23741 24518 2448 20610 25792 25259 18566 18830 2256 2446 2012 2126 22035 22811 26231 25710 1997 19234 25816 3346 12587 12002 3196 3097 1400 22123 2187 1967 2266 2202 15581 1667 2122 2391 1 1 1 1 1 10988 1 1 1650 2016 1233 1 1389 1489 1 1 1023 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 6277 5450 14927 1 19838 20598 1 1 1 1 1 1 1 1 1 1 158.1294 *158.9095* 158.9095@0.7604953 13253 11707 12172 13487 1 1 24607 22931 20547 18701 23434 22738 14859 15210 16608 16318 16197 17359 13555 12342 17171 17580 7879 8081 8541 1 9582 10114 9323 9798 7141 8014 1 1 9266 11480 17179 18137 1 1 34601 35272 1 1 15264 15355 21412 22933 4398 4892 12184 14538 20272 19661 1 10554 1 1 5449 5024 26581 24651 13901 12767 11375 11569 1 1 44409 43799 1 1 53305 53122 1 1 1 8904 15584 15609 1 1 14856 14877 25364 23392 23413 23653 6136 5944 158.9095 *158.9148* 158.9148@0.75892586 1 1 1 1 6287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8000 1 1 1 1 1 1 1 1 1 1 1 1 5578 6167 1 1 5396 5351 1 1 1 1 1 1 1 1 1 1 10747 1 4898 4498 1 1 1 1 1 1 1 1 5583 6903 1 1 6277 1 1 1 4811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.9148 *158.9182* 158.9182@0.7589538 1 1 1 1 1 6049 1 1 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 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 7112 1 1 1 4399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.9182 *158.9365* 158.9365@0.89433485 1 1 1 1 2362 2678 1 1 3111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3777 1 3548 2936 2050 1 1 3828 1353 1 1 1 1 1960 2938 1 1 1 1 1 1 1 1 1 1 2893 4310 4495 3471 2898 2969 1 1 1 1 1 1725 1 1 1 1 1 1 1 1589 3428 1 2333 2017 1 4702 1 1 1 1 2065 1 1 1 1 2774 5029 1 1 1 158.9365 *158.9377* 158.9377@0.94241744 1 1 1 1 1 1 1 1 2704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3641 2806 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 2691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.9377 *158.9379* 158.9379@0.7065256 3209 1 3213 7041 1 9441 4176 7098 10172 9923 6421 1 3249 7396 7848 8175 1 13217 2642 7389 11339 11066 12601 4642 1 3745 1 4994 4312 4695 4449 1 5446 9325 1 1 9252 5620 2378 1 2658 1 1 6793 8166 1 6706 6464 9432 5979 2402 8818 3488 9272 6375 5069 6464 3276 2377 5668 2256 9682 1 6981 9068 1 3645 6526 1 5770 6951 8154 10289 10060 4350 5453 1 1 1 6581 6540 1 3940 1 1 8178 8868 6388 1982 4430 158.9379 *158.938* 158.938@1.0345209 1 1 3137 1901 2739 8195 2510 2375 3938 1 2714 1 3154 2172 1501 1 1 2858 1 1 1622 1 1 1 2886 1 1 1 1780 2570 1 1 2237 2747 1 1637 1 4028 2022 2333 1 1 3350 1 1 1 2789 2616 1 1 2657 2613 1849 1 2743 1355 1 1 1 2657 1 6124 2432 3029 2431 4164 2046 1768 1 3074 2350 1689 1691 1914 1 2361 2834 1 1 1 6346 2259 2248 1484 3328 1413 1945 1 1 2458 158.938 *158.9381* 158.9381@2.952387 1 1 1 3589 1 14337 1 3834 1 11781 5469 4501 3501 3709 7563 1 8610 7167 9214 1 5284 7003 1 3650 1 1 11306 1 1 1 1 6817 1313 1 1 1 1 4892 2914 6532 6774 2172 1 7941 1 1 1 1626 1 1 1 1 1 1 1 1 4723 12431 2110 9025 1 1 1 1 1 1 1 1 2490 1 1 1274 1 9513 1 5565 4202 1 1 1 1 2294 1 2813 1 1 1 1 7906 1 158.9381 *158.9382* 158.9382@3.0300872 13631 1 1 1 1 1 1 3948 1 1 1 1 1 2686 4419 1 1 1 7576 1 14189 1 1 1 1 1 1 1 1 1 1 1 2218 1 1 1 1 1 5181 1 1 1 1 1 1 1 1 1 1 1 2011 11846 7044 13056 14434 1 1 1 15197 1 15600 15866 13358 1 1 1 10585 14313 1 1 1 1095 14895 1 21560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.9382 *158.9383* 158.9383@2.0378265 1 1 1 4172 1 1 1 1 1 1 1 2149 1 1 1 1 3660 1636 1 1 1 1 1908 1 1 1 1 1 1 1 1 1780 1896 1 1 1 1 1 1 1 6162 1 1 4503 1 1 5581 1 2903 1 3145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6934 1 1 1 1367 1814 1 4082 1 1 1 2049 1 1 1 158.9383 *158.9384* 158.9384@1.9667847 20940 13205 13710 1 15241 13743 15707 16585 14379 12209 10962 12182 13636 14374 13191 11288 16898 13205 12708 12774 13410 15314 12198 13168 13515 14342 13291 11399 13717 13211 10749 11102 10396 11583 13810 13810 12786 12624 10359 12799 8273 14248 12256 9031 12693 11807 6766 12242 12918 13872 10947 15444 14137 13345 11554 11089 11977 12145 17000 15141 13856 14619 12706 6854 13930 14388 13526 9916 11574 12684 11132 13741 14424 14302 13065 7492 12347 15377 13335 12054 12634 11162 8191 14599 13850 10604 9874 12016 13481 18393 158.9384 *158.9385* C3 H4 Cl3 N 1 1 8625 5622 7161 6405 1 1 1 1 4815 7751 10994 8330 1376 1 6694 9898 1 1 3185 1 1 1 1 1 5873 7479 9249 6354 1 2000 8384 8545 1 1 7208 1 1 6238 1 1 1 5054 6423 1 1 2450 1 3273 1 2434 8583 9583 1 5439 4985 2450 1 1 2717 6062 1 1 1 4853 1958 1 7119 6793 1 1 9160 6954 7550 7664 7693 7486 7827 6967 9876 7649 6978 1 9617 9134 6472 3402 3466 3731 158.9385 *158.9385* 158.9385@3.0755901 1 1 1 1 1 1 1 15216 1 1 1 1 1 1 2479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5078 1 1 1 1 6642 1 1 1 1 1 1 1 2190 1 4898 1 1 1 1 158.9385 *158.9387* 158.9387@1.3716967 1 1 1 5134 1 1 1 1 1 1 1 1 1 2837 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 5322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.9387 *158.9387* 158.9387@1.1757556 1 1 1 2737 5650 1 1 1 1 1 1 1 2926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1226 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 4253 1 1 1 1 1 1 1 1 158.9387 *158.939* 158.939@1.6190559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4465 5913 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 5498 1 1 1 1 1 1 1 1 1 1 1 4858 1 1 1 1 1 1 1 1 1 1 1 1364 1 1 2040 1 1 21607 17104 1 1 1 1 1 1 2516 1 1 5922 158.939 *158.9398* 158.9398@3.275583 1 1 1 1 1 3434 1 1 1 1 1 1 7929 1 1808 1 1 1 1 1 2523 1 1 1 1 1 1 1 1 1 1 12206 1 1 1 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 3370 1 1 1 1 1 1 158.9398 *158.9414* 158.9414@3.540222 1821 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 1425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.9414 *158.9465* 158.9465@4.0035334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 158.9465 *159.0142* 159.0142@1.6343896 1 1 1257 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.0142 *159.0183* 159.0183@1.8753133 1 1 1 1 1 1 1 1 1 1 1 1 1 1935 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 1 159.0183 *159.0186* 159.0186@1.3965204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 159.0186 *159.0196* C5 H6 Cl N3 O 1 1 1 1 1 1 1 1 1 1 1 1 5001 4523 1 1 1 1 9154 7532 7148 2525 6129 8501 1 1 10960 4732 13426 15872 1 1 1 1 1 1 1 1 1 1 2144 1 1 1 1 1 1 1 7539 5619 4206 10588 1 1 8794 10242 1 1 1 1 1 1 1 1 1 1 5749 4260 1 1 1 1 1 1 1 1 1 1 1630 1 5462 1 4725 4200 1 1 1 10558 10217 1 159.0196 *159.0248* 159.0248@1.4000264 1 1 1 1 1 1 3570 2356 1 1 1 1 1 1 1 1 1 1 1105 1163 1882 1919 2411 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 1942 1591 2533 1 2647 2547 1 1 1 1 1 1 4223 3143 1 1 1628 1 1 2445 1 1 1 1576 1761 2683 1 1 1391 1 2541 3735 1114 1618 2737 3559 3348 1 1 1 1 1 159.0248 *159.0252* 159.0252@2.9470851 1 1 1164 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 3912 1 1 1 2195 1122 1 1 1 1896 1 1 1628 1 1147 1 1 1 1770 1 1 1 1572 4514 2427 1 1 1 1 1 1 1 1 1 3648 3827 1 5047 2982 1 1 1 1 2038 1 1 3528 1 1 1840 1 1 1 1 1 3199 1 3697 1 1 1 159.0252 *159.0258* 159.0258@2.0678756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3832 1489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1540 1 1 1 2210 1 4377 1 1 1 1 1 1 1 1 1 1 1 1 1 2533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3270 1 1 1 1 1 1 1 1 1 1 1 1 159.0258 *159.0259* 159.0259@2.8365774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 159.0259 *159.0266* 159.0266@2.9071176 1 1 2842 4377 6692 1 1592 6514 1 1 3624 6612 2575 1 1144 3671 1 4402 5107 1 2571 1 1 1 5279 1 3065 4907 1 1713 3486 3521 3331 3752 1764 2097 1996 1 2931 3107 1 1037 3718 3172 4887 1 1 1464 1 5582 2778 2540 3807 4478 1 1 1 1 2259 1 12375 4641 3688 3469 2357 1 3038 2822 6185 5353 1 1 7164 4764 3549 1377 8341 7419 3700 1 7540 6908 1 4535 5890 10777 3701 4196 2351 1 159.0266 *159.0268* 159.0268@1.4542087 1 1 1 1 1 1 2853 2698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3013 1 1 1 1 1 1 1 1 1 1 1 2174 1 1 1 1 1 1 1 1 1 1673 1 1 1 1 1 1 1 159.0268 *159.0271* 159.0271@2.0691013 1 1 3034 5313 4657 2747 1 9604 1 4254 1 1 3442 1 1650 3948 2488 6686 5548 3016 8239 5664 1 1 1 1495 1 3449 1 1 6811 1 5155 7626 6553 1 4856 10855 2078 3074 6997 9309 8952 6912 1 1 7626 8526 8480 7461 1 1 6045 2098 1 1 1 2907 1321 3674 20243 24086 14108 11140 12549 15253 1 1 11517 1 13838 13260 7794 9328 11457 8876 14843 4160 3708 1 1 5101 1 1 19601 9332 16711 12892 1 1 159.0271 *159.0272* 159.0272@2.1784103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1758 1 1 1 1 2198 1 1 1 1 1 1 1 1 1 1 1 1 2937 2419 1 1 1312 1 1 1 1 1 1 3256 1 1 1 2570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3396 1 1 1 1 1 1910 1 1 1 1 1 1 5379 1 1 1 1 1 1 1 1 1 1 1 1 159.0272 *159.0861* 159.0861@1.9083954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1625 1 1 1 1 1 1 1 1 1 1 159.0861 *159.0863* 159.0863@1.7802161 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 1 1 1 4408 1664 1 1 1 1 1 1 1 1 1 1 159.0863 *159.0868* 159.0868@1.545173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4271 1 1 1 1 1 1 1 1 1 1 159.0868 *159.088* 159.088@3.3524776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3320 1 1 1 1 1 1 1 1 1 1 159.088 *159.0884* Isobutyrylglycine methyl ester 3950 4192 4947 4721 6098 5309 6603 7383 5219 5273 6327 5759 5814 5808 5080 5658 7977 8154 8022 7659 6550 6937 8500 8281 3039 2908 5965 5433 6985 6445 7467 7623 7518 7197 6933 6835 12062 13105 9026 8343 9366 8911 7171 6498 5893 6262 7504 7187 7377 7436 6279 6385 6834 7082 6627 7217 4688 5445 7943 8342 7648 7441 8142 8140 7196 7352 6572 6303 7637 7545 8617 8388 6753 7449 6390 6155 6629 6515 24954 25008 8266 8566 6623 7074 8138 8208 5843 6304 10105 10001 HMDB00680 159.0884 *159.089* 159.089@2.792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4049 1 1 1 1 1 1 1 1 1 1 159.089 *159.0892* 159.0892@2.6798272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25852 22685 1 1 1 1 1 1 1 1 1 1 159.0892 *159.9419* 159.9419@1.673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 159.9419 *159.9423* 159.9423@1.2933303 1 1 3135 1390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 159.9423 *159.9431* 159.9431@1.624 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 1 1 1 1 1 1 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 1 159.9431 *159.9462* 159.9462@1.9781107 1 1 1 1 1 1 1 1 1 1 1 1 4108 1 1 1 1 1 1 1 1 1 1 5202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5323 1 4830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.9462 *159.9463* 159.9463@0.931989 1 1 1 1 2730 1 1 1 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 1801 1 1 1 1 1 1678 1 1 1 1 1 1 1 1 1 1 1 1 1 2572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5346 3356 1 1 1 1 1 1 1 1 1 1185 159.9463 *159.9475* 159.9475@0.93374145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16746 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 1 1 1 1 2217 1 1 1 1 1 1 1 1 1 1 159.9475 *159.948* 159.948@1.9791937 1 3478 6109 6659 5874 4898 5005 6083 5178 4364 4665 6029 1 4810 4337 4035 1 4576 5015 5468 4917 4858 4568 1 5175 5151 6156 11471 4585 4905 3869 5230 4906 3965 4217 4232 3651 4358 4566 3960 1 3862 1 4643 3802 4461 4617 4876 4378 5078 5098 4535 4999 4427 5342 5343 4953 4273 1 5311 5245 5758 5270 4890 4757 5035 6574 7447 4646 4176 4661 1 4847 10052 4855 4929 5161 4111 3945 1 4696 4801 5023 4349 5115 4744 4735 5372 4121 1 159.948 *159.9783* 159.9783@1.4042182 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 1 1 1 1 1 1 1 1 1 1 1 159.9783 *159.9856* 159.9856@6.86294 2946 3321 3104 3209 3212 3341 3281 3116 2673 2891 4099 4043 3383 3690 4369 3862 2693 2727 3969 3856 4144 3211 3511 4793 3746 3201 4393 3242 2580 3029 4199 4053 4636 3934 1 1828 3610 3419 4638 4488 2793 3649 3271 2690 3965 3612 2100 1344 3671 3447 11925 11353 7306 7494 4472 3642 4694 4206 3000 2546 8339 7612 3785 3497 5941 5772 5856 5932 3865 3688 15442 16782 2413 2585 4386 4240 14146 15129 11637 12506 14037 14384 11290 11778 15079 16276 9991 10240 7996 8504 159.9856 *159.993* 159.993@1.4004182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 159.993 *160.018* C6 H8 O3 S 1 1 1 1 1 1 1 1 1 1 1 1 11700 1 1 1 1 1 10779 8669 1 1 11315 9857 1 1 10642 8108 20634 21047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15717 15108 19460 14861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13525 13611 1 1 1 1 1 1 1 1 1 3941 1 1 12647 13393 1 13962 1 1 8460 15510 10360 13029 160.018 *160.0183* 160.0183@1.8363873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.0183 *160.0198* 160.0198@1.882682 1 1 1 1 1 1 4861 6294 1 1 1612 1 1 1 1577 1544 1 4497 1 1 11316 9153 1 2780 2496 5998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5490 5796 1 1 1 1 1 1 1 1 1 1 4382 1 10326 9400 1 1 3032 6470 2963 3111 1 1 2682 1 1 1 1 2212 1 1 2173 1 1 1 5944 1 3710 2316 1 1 15540 1 6053 4659 1 1 1 1 160.0198 *160.0265* 160.0265@1.9693818 1 1 1 1 1 1 1 1 1 1 1 1 1 2778 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.0265 *160.0326* 160.0326@1.9901456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2540 1 1 1 1778 1858 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 1055 2035 1 1 1 1 1 1 160.0326 *160.0368* 160.0368@1.9958687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1678 1 1 1971 2301 1 1 1703 1 1 3680 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 1984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2303 1 1 1 1 1 1 1 160.0368 *160.042* 160.042@1.9585279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 160.042 *160.0457* 160.0457@1.9652612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2732 1 1 1 1 1 1 1 1 3027 1 1 1 1 1 1 1 1 1 1 1 160.0457 *160.0497* 160.0497@1.9545012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.0497 *160.0662* 160.0662@1.3719913 1 2234 1 1968 2985 1 1 2850 1 1 1 1687 1 2711 1 1 3176 2691 1 1 1 3909 1 1 1 1 1 1 1 2747 2399 2176 1 1 1 1 1 1 1 2682 1 1832 1 1 1 1 1 1316 1 1 1 1 1 1 1314 1656 1 1670 1 2876 1 2258 1 1 1 1 1 3014 1 2794 1 1 1 1 1 1 1 1 1020 1 2122 1 1879 1 1 1 1 1907 1187 1 160.0662 *160.0689* 160.0689@1.37426 1 1 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 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.0689 *160.0725* 160.0725@1.642889 1 1 1 1 1 1 5899 6051 1018 1 1 10239 1 1 1 1 1 1 1 1 4606 4299 1 1 1 1 1 1 1 1 1 1 2937 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 1395 1 1 1 1 1 1 1 1 1 2065 2238 1 1 1 1 1 1 7606 6150 1 1 1 1 1 1 1 1 1 1 160.0725 *160.0727* 160.0727@1.6403369 1 1 1 1 1 1 1 1 1 1 10777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.0727 *160.073* 160.073@1.3672436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45605 37874 1 1 1 1 1 1 1 1 1 1 160.073 *160.0731* 160.0731@1.307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8756 1 1 1 1 1 1 1 1 1 1 160.0731 *160.0838* 160.0838@3.7623508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9362 9639 1 1 1 1 1 1 1 1 1 1 160.0838 *160.1079* 160.1079@1.278786 1 1 1 1 1 1000 1 1117 1 1 1 1283 1885 1751 1 1 1 1 1 1 1 1 1500 1739 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 1 1299 1 1 1 1 160.1079 *160.109* 7-Hydroxyoctanoic acid 3442 3385 4068 4318 4295 4612 5418 5768 3968 3602 4398 4608 5328 5172 5930 4007 31331 29970 4407 4501 8428 8538 5972 5886 4502 4670 4399 4386 7875 6967 3627 3717 4167 4043 3734 3501 4038 4152 3619 3232 2574 1 2958 2870 4189 4147 3188 3232 3128 3208 2694 3205 3349 3440 2589 2359 1 2539 3022 3377 19579 18036 1 1833 2483 2590 4059 4171 2788 2710 1936 2082 1 2051 2926 2950 1 3407 6704 6584 4459 4258 2939 3116 6467 6391 3940 4420 13763 2027 HMDB00486 160.109 *160.1098* 160.1098@1.1838703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13674 160.1098 *160.9437* 160.9437@1.9719709 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.9437 *160.9455* 160.9455@1.9713156 1 1 1709 1494 1 1 2129 1 1869 1596 1586 1802 1650 1426 1579 1632 1845 1 1927 1817 1978 2008 1710 2098 1 1862 1738 1 2145 2056 1687 1559 1 1 1898 1 1656 1317 1 1 1 1863 1 1 1 1 1 1 1 2189 1 1 1 1636 1823 2206 1 1854 1228 1 1949 1940 1 1 1509 1 1977 2000 1712 1 1 1412 1 1 1 1 1 1 1 1627 1 2033 1 2179 1391 1 1538 1 1 1 160.9455 *161.032* 161.032@1.1903566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1220 1 1 1 1 1 1 1 1 1 1 161.032 *161.0668* 161.0668@3.0055354 1797 1450 1478 1 1 1 2962 2819 1 1 1741 1811 1406 1603 1934 1874 3164 3319 1533 1578 2763 2850 1730 2318 1 1382 1502 1435 1 1 1795 1938 2179 1772 1917 2144 2286 2223 1709 1604 2837 3176 1 1 1 1 2191 2346 2639 3123 2200 2706 2848 2624 2142 2744 2356 1784 3417 3412 2813 3042 4027 3611 2593 2572 4925 4355 2298 2396 3509 3706 2976 2797 3253 2978 2131 1869 3739 3621 2125 2378 1 1 2109 2741 1895 1879 3799 3593 161.0668 *161.8487* 161.8487@1.1059766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131678 132766 123660 123778 124065 116056 98444 98604 99536 105934 96413 99984 96211 99500 99231 89089 90588 93253 87269 87156 86753 84073 91256 90572 100171 97951 97414 100533 102194 98076 104838 110769 94727 96469 110030 110098 108831 112588 93424 93317 112820 119014 89073 89565 119353 116438 122960 124871 119352 118868 114321 113126 107554 111553 118457 119794 104014 102913 142444 142919 121368 124106 128038 129916 106115 105733 161.8487 *161.8487* 161.8487@2.0424984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29690 38157 161.8487 *161.8489* 161.8489@1.212912 59263 63097 61803 58498 73725 75736 64222 59495 56119 52923 53773 1 53469 51114 1 1 55194 53246 45738 45197 1 42501 41134 41788 129380 121071 130856 122017 113466 116871 104842 105712 111785 116372 107487 102832 108288 110176 105613 103998 94789 98928 97025 96709 93278 100708 108735 103453 109414 110943 112186 114403 108321 111759 113636 110989 116956 120114 123608 119582 203364 213839 124433 129190 136395 138950 181076 182784 131956 138648 146401 152645 146675 149810 150420 154043 208172 211545 176739 183057 348976 350206 170391 174061 186356 191559 175891 181559 365802 374106 161.8489 *161.9408* 161.9408@2.0897665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1480 1 1 1 1 1 1 1 3334 1 1 1 1 1 1 2974 1 1 1 1 1 1 1 1 1 1 1 2006 1 1322 1 1 2925 1 1 1 2189 1 1 1 1 1 1 1073 1 1 3027 1 1 1 1 1 1 1 1 1 1 1 1994 2231 1 1 1 2422 1 1 1 1328 2306 4110 1 1 1 1 161.9408 *161.9426* 161.9426@1.9665304 4027 3325 3187 2953 2967 2898 3239 3604 3262 2887 3406 2064 3963 3717 3558 3852 3620 3402 4333 3619 3645 3978 3602 3145 3575 3137 3533 1 3502 4309 3158 2994 3568 2924 2928 1984 3099 3212 3287 3471 2446 3857 3279 3436 2886 3741 2758 3197 3848 3530 4190 3155 3209 2423 3297 1 4015 2656 4076 2927 1932 3013 3095 1761 3058 3295 3064 3125 2845 2530 2931 3034 3243 1 2713 4271 3543 3152 2321 3120 3907 3655 3452 4510 3006 4400 3584 3281 3168 3008 161.9426 *161.9554* 161.9554@1.1929973 1 1 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 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 1581 1520 1 1 1 1 1 1519 1119 1 1 1 1082 1614 1548 1222 2053 1 1250 1265 2667 2947 1688 1705 2182 1631 2733 1947 3821 5314 161.9554 *161.9588* 161.9588@1.0960803 1 1 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 2032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.9588 *162.0123* 162.0123@2.139857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 162.0123 *162.0125* 162.0125@1.4045517 1 1 1 1 1 1 1 1 1977 1 1276 1 1 1 1 1 1 1 1 1 1 1 1 2299 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 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 1 162.0125 *162.0143* 162.0143@6.8256497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2277 1 1 1 1 1 1 1 1 1 1 1 2106 1 1 1 1 1308 1269 1 1 1 1 2023 2256 1 1 1 1 1 1554 2437 2264 1 2388 1922 1 162.0143 *162.0155* 162.0155@3.2075653 1 1 1 1 1 1 1 1 1 1 1 1 1 1813 1 1985 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 2713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2827 1 1 162.0155 *162.0155* 162.0155@3.7704773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1804 1 1 162.0155 *162.0156* 162.0156@3.4928894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2067 1 1 162.0156 *162.0158* 162.0158@3.1148386 1 1 1 1 1 1 1 1 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 12380 20989 1 1 1 1 25235 13572 1 1 1 1 1338 1 19072 52289 1 1 1 1 1 1 1 1 1 1 1 2831 1 1 162.0158 *162.0158* 162.0158@3.7190309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1478 1 1 162.0158 *162.0159* 162.0159@2.9633832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6927 1 1 1 1 1 1 1 1 1 1 1127 1 1 6221 1 1 1 10153 1 1 1 3737 1 1 1 1 1 1 1 1 1 1 1 1 2783 1 1 1 1 1 1 1 1 1 20285 1 1 2509 1 25379 162.0159 *162.0159* 162.0159@4.114213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5423 1 1035 1 1 1 4948 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 1 162.0159 *162.016* 162.016@3.3799582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2439 1 1 8237 1 1 1 1 1 1 1 1 1 1 1 5232 1 1 162.016 *162.016* 162.016@3.5888877 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 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 2747 1 1 1772 1 1 1 1 1 1 1 1 1 1 1 1383 1 1 162.016 *162.0161* 162.0161@2.0227973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1506 1 1 2575 1 1 1 1 1 1 1 1 1 1527 1 1 1896 1 162.0161 *162.0161* 162.0161@2.5548491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1677 1 1 1 1 1 1 1 1 1 1 1 1801 1 162.0161 *162.0196* 162.0196@2.5470486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 162.0196 *162.0208* 162.0208@4.002552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0208 *162.039* 162.039@2.3816373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9983 1 1 1 1 1 162.039 *162.0391* 162.0391@1.977681 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0391 *162.04* 162.04@2.7686498 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 1 1 2376 1 1 1 1 1 1 1 1 9658 1 1 1 1 1 162.04 *162.0432* 162.0432@2.449226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 3540 162.0432 *162.0437* 162.0437@2.7881787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1031 1 1 1 1 1 1 162.0437 *162.0462* 162.0462@2.390752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3085 1 1 1207 1 1 1 1 1 3385 1 1 1 4084 1 12428 1 11685 2857 1 1 1 1 1 1 2146 1809 9971 8470 1 1 1 3158 1 2294 162.0462 *162.0471* 162.0471@2.0027895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8455 7187 1 1 1 1 1 1 1 1 1 1 162.0471 *162.0472* 162.0472@2.6403232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7743 1 1 1 1 1 1 1 1 1 4765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2475 5198 1 1 1 1 1 1 1 3484 3454 1 1 3579 4047 1 9527 1 1 1 1 2113 5230 5451 4280 1 1 1 1371 1904 1916 162.0472 *162.0476* 162.0476@2.8311179 4405 4141 4777 3317 1 1 1 1 4717 5575 6249 4286 5738 1089 1 4816 2041 2596 5121 5425 5392 1 1 1 1 1 7174 4589 1 1 5043 1 1 1 5876 4381 2546 1 1 1 1 3724 5660 6923 5244 1 1 1 1 2250 1 1 1 1 1 1 1 1 1 3229 1 2958 2809 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 1 162.0476 *162.0492* 162.0492@2.4327674 1 1 1138 1 6357 1 3604 1 3141 1 1 1 1 1 1 1 1 6808 1 1 9425 5208 1 1 8547 1708 1 1 1 6216 1499 4732 1 1 1 6702 1 2315 1 1 1 1930 1 1 1 4075 4245 1 1 1 2878 1636 1 1813 1 3373 1 1 1 1 11116 8453 1 1 1 1 5726 1 1 3484 1 4187 1 1 1 1 1 1 14433 12686 1 1 1 1369 1 1 1 1 1 1 162.0492 *162.05* 162.05@2.441894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 162.05 *162.0788* 162.0788@1.621918 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0788 *162.079* 162.079@1.999981 1 1 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 3190 1 1 2747 1 1 1 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 1 162.079 *162.0843* 162.0843@1.9884363 1 1 1 1 1819 2019 1 2510 1 1 1 2217 1 1 1 1 1 1 1644 2815 1 1 1 1 1 1 1 1 1 1 1 1 3056 3495 1 1 4285 1 1772 1 1 2012 2002 2040 1 1 1167 1 2494 2233 1 1 1 1 1 1 1861 2424 1 1942 1 1 1 3643 3348 3231 5909 6114 1 1 1641 1580 2216 1 1 1 1377 1 1 1 1 1 1 1 1817 1 1 1 1 1 162.0843 *162.0863* 162.0863@1.6314336 1 1 1 1 1 1 1396 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1252 1 1958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3168 1 1 1 1 1511 1 1 1 1 1 162.0863 *162.088* 162.088@1.628335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21543 20709 1 1 1 1 1 1 1 1 1 1 162.088 *162.9201* 162.9201@0.9074983 1254 1429 1 1396 1266 1 1 1 1 1592 1224 1464 1 1 1 1285 1837 2112 1802 1965 1681 1841 1290 1 1 1445 1 1 1392 1 1667 1543 1 1 1 1 1 1 1 1 1745 1535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1831 1590 1 1196 1 1 1 1 1933 1790 1625 1631 1 1 1 1 1 1 21478 21302 1 1 1 1 1 1 1 1 1 1 162.9201 *162.9887* 162.9887@4.233897 1 1765 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.9887 *162.9964* 162.9964@0.8651229 1 1 1 1 1 1 1 1358 1 1 1 1 1518 1317 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 1534 1789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1494 2006 1 1 1 1 1 1 1 1 1 1 1283 1753 1 1 1 1 162.9964 *163.0265* 163.0265@1.1208538 1 1 1 1 3176 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 2295 1 1 3838 1 1998 1 1 1 1 1 2443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 163.0265 *163.0269* 163.0269@1.1214361 1707 2066 3259 3067 1 3110 1895 2117 1953 1633 1721 1426 2498 2360 1773 2171 1 3007 2356 2152 1 1905 1944 1856 2002 1862 1739 1336 1 1 2352 1 6903 7134 1 3600 1 2340 2340 2099 1 1 1 2456 1 1 1532 1858 2446 2435 1 1212 1 1 1 1 7301 5891 1 1 2054 1379 1 1 1444 1634 1 1295 3675 3276 1 1 1 1 1 1369 1 1 1555 1486 2159 1804 1 1 1285 1175 1 4227 1 1 163.0269 *163.0534* 163.0534@1.1906135 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 1 1 1 1 1 1 1 1 163.0534 *163.0556* 163.0556@2.1053693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 163.0556 *163.0607* 163.0607@2.1206763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2556 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 1 163.0607 *163.063* 163.063@1.1881814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1288 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 1 163.063 *163.8459* 163.8459@1.2182162 1 1 1 1 1 1 1 1 1 1 1 34409 1 1 29654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.8459 *163.9528* 163.9528@1.2058074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1770 1 1 1 1 1 1 2145 1876 163.9528 *164.0157* 164.0157@1.9580834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.0157 *164.0158* C5 H9 Cl N2 S 2860 3365 2960 2511 2798 2592 4398 3979 1 2982 2451 2708 1 1 2319 1 3702 3870 2337 2023 4446 3811 2651 2589 2646 2932 2768 3234 1881 2050 3028 2783 2011 1 3408 3627 2711 2937 2066 1 4103 4661 2518 1 2608 2049 3257 3707 2737 2725 4446 3242 4438 3925 4428 4657 2485 2737 5690 1605 5813 4926 4237 4776 5485 5281 4855 5320 2298 2939 6049 5481 5186 4751 5252 10668 3940 3348 4925 5803 5277 3867 5528 4140 3107 2964 3264 3256 5641 5103 164.0158 *164.021* 164.021@1.960622 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 1 1 1888 1 1 1 1 1 2538 1 1 1 2587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.021 *164.0321* 164.0321@3.0677166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14669 1 1 1 1 1 1 1 1 1 3239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.0321 *164.0323* 164.0323@1.1760329 1 1 1 1 1 1 1 1 1 1 1 1 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 1 164.0323 *164.0418* 164.0418@3.0748608 1 1 1 1 1 1 1 1881 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 1310 1 1 3017 2565 3159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2877 1 1 2253 1 1 2293 1 1 1 1 1 1 2114 2233 3216 1 1 1 1 1 1 1 1756 1 1 1 1 1 1 1 1 164.0418 *164.0448* 164.0448@3.1152687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2297 2301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2671 3906 4525 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 1 164.0448 *164.0585* 164.0585@2.0337896 1 1 1 1 1 1 1 1712 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 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 1656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.0585 *164.0597* 164.0597@1.7301593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2536 1 1 1 164.0597 *164.0638* 164.0638@1.9445938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2624 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 3033 1 1 1 1 1 1 1954 1 164.0638 *164.0641* 164.0641@3.257195 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.0641 *164.0649* C10 H12 S 3268 3145 15838 3148 1 1 1542 1 18964 2789 2720 15382 2797 2388 25961 26131 2535 2718 1 15790 13254 2332 2068 2244 2686 3049 3960 26915 1 2046 16371 2284 1 1 1491 1 3169 3175 2523 2958 1 1553 1 1 2781 17217 3398 19342 2785 18400 2091 2239 2172 2437 24328 23993 1 3326 3250 2707 3149 23799 2628 2921 3062 3231 21581 3089 26958 4085 30647 30082 8089 1 1 2629 2943 2947 4154 2958 3186 4735 1 1 3132 1 2377 1 2416 4283 164.0649 *164.0677* 164.0677@1.8616453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2421 1 1 24961 3741 1402 1 4543 3495 1 1 1 1 4161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.0677 *165.0045* 165.0045@1.9688224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2604 1 1 1 1 4170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4301 1 1 1 1 1 1 165.0045 *165.0111* 165.0111@3.093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 165.0111 *165.0132* 165.0132@1.9628719 1 1 1 1 1 1 1 5657 1 1 1 1 1 1 1 1 7392 1 1 1 1 1 1 1 1 1 3547 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 6814 1 1 1 1 1 1 1 1 165.0132 *165.0391* 165.0391@1.3311691 1 1 1 1 1543 1840 1 1 1 1 1 1 1994 2224 1 1 1 1 1 1 1 1 1681 1400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1799 1647 1 1 1 1 1 1 1 1 1 1 2741 2421 1 1 1 1 1283 1539 1 1 1 1 1919 1763 1 1 1 1 1 1 1974 2535 1923 1981 1590 1420 1518 1550 1 1 1 1 2735 2446 1 1 15082 15540 165.0391 *165.0419* 165.0419@1.6330552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5342 4846 1 1 1 1 1 1 1 1 1 1 165.0419 *165.0636* 1-Methylguanine 3076 2841 2702 2601 1 2464 2687 2949 2780 2505 3891 3898 3216 3574 3035 3273 3848 4472 3753 3758 3117 2740 2883 2951 2525 2873 3384 2756 3214 2942 2935 3483 3735 3818 3906 4589 3638 3598 3349 3424 3954 3712 2251 2738 2304 2404 3610 3662 4159 3812 2960 2652 3576 3864 3828 3616 2056 2735 4070 3771 4194 4325 3776 3828 4025 4338 4350 4302 3243 3327 3729 3623 3474 3090 3627 3298 3107 2897 3408 3575 4091 4078 4036 3574 3447 3579 3995 3749 2883 3056 HMDB03282 C04152 165.0636 *165.0773* 165.0773@3.9928184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5057 4493 1 1 1 1 1 1 1 1 1 1 165.0773 *165.0782* Phenylalanine 9796 9415 12019 12314 7309 6621 9985 9944 7000 7494 13315 13080 8878 9010 9912 10744 14656 15361 9391 8781 8430 9018 6772 7255 10224 10380 9859 10587 10107 10266 11306 12271 9731 9621 9291 9988 6501 6829 9055 8904 11800 11195 8641 9245 6919 7603 9665 9677 9856 9509 11062 12092 12868 13335 9628 10426 9844 10726 7985 7372 12767 12842 13165 11451 20324 19449 9003 8529 13486 13797 10927 11603 13966 13456 13359 12260 12613 12850 9288 10096 12122 11570 15884 15019 11469 11670 24746 25691 10119 9537 HMDB00159 C00079 165.0782 *165.9996* 165.9996@2.106115 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.9996 *166.0021* 166.0021@2.0474768 1 1 1 2729 1 1 1 1851 2551 1 1 1 1589 1 2391 1154 4216 2501 1 1371 1 1 1 1 1 1 1 1 1 1 1 1 1 2019 1 1 1 1 1 1 1 1 1 1 1 1 1 3876 1 1 1 5003 1622 1 3061 1 1 1 1 1 2543 1 1 1 1 1 3213 1 1 1 1 1 3697 1 1 1 2913 3209 1 1 5100 1 2798 1 1 1 1 1 1 1 166.0021 *166.0022* 166.0022@3.0463145 1 1 1 1 1 1 1 1 1 1754 1 1 1 1 1 1 1 1 1 1 1 1207 1 1 1485 1 1 1 1 1 1 1 1230 2566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1740 1 1276 1 1 1270 1 1 1 4082 1 3387 1 1 3191 1 1 1 1 1 2448 1 1567 1 1 1 1 1 1 1 1237 1 1 1 1 1 1 1 166.0022 *166.0023* 166.0023@1.9858651 8197 8211 8036 6265 1 10054 1 2804 5421 5669 1 4811 7083 4819 3687 4792 2850 4313 6027 5467 5250 4615 6719 7272 4605 1 11902 5946 8473 1 4264 5618 7442 4799 1 1 4321 1134 6586 1 1 6912 7486 2415 1 1889 1669 3833 5428 5664 5092 1 4876 1 1943 6465 4555 5187 9606 1 5449 4311 3096 5206 5186 1 4949 3318 1 1 5514 1 5133 2994 1 1 7205 3627 1 4075 2622 7544 5353 2824 1 1 3810 5602 1978 1 166.0023 *166.0025* 166.0025@0.8720715 1 1 1198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1810 1859 1 1 1 1468 1866 1 1 1833 1 1 1823 1 2161 2294 1 1 1 1294 1 1 1 1 2277 1 1274 1137 1 1 1178 3210 1257 1 1 1 2939 1 1 2955 1 1975 1 1 1 1 1916 2266 2604 1 2283 1453 3492 1 1 3728 4316 1 1 2393 1 1 2972 2229 1064 1 1 166.0025 *166.0028* 166.0028@2.906733 1 1 1 1 1 1 1 1 1 1 1254 1 1 1 1 1 1 1264 1 1 1 1 1675 1 2172 1 1 1 1 1 1 1 1 1610 1 1 2453 1 2642 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 1486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1890 1 166.0028 *166.0028* 166.0028@3.8825629 1 1 1 1 1 1 1 1 1 1 1 1 1295 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 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 1 166.0028 *166.0029* 166.0029@0.85102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1991 1 1 1 1 1 1 1 1 1 2366 1 1 1 3739 1 1 1 1 1 1 3766 1 1 1 1 166.0029 *166.003* 166.003@2.8579173 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 2284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.003 *166.0034* 166.0034@4.1462603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 166.0034 *166.004* C6 H3 Cl N4 1 1 1 4100 1676 1422 1 1 1 2885 1 1 1 3960 4192 1127 1 1699 1 1 1313 1693 3671 1295 2444 4592 1 4729 1 2499 9228 5969 5887 2998 2776 2090 3033 4393 5361 1612 5520 1 1 1 3436 1 1 1 1 1574 6683 1 8355 9140 2089 3989 1 1 1 1 1 3964 1 1 1 1 1120 3583 7502 7056 2135 4274 6722 1 1948 1 3014 1 5124 1 1640 1176 1 4287 4410 5985 1 6805 1699 11460 166.004 *166.0043* 166.0043@1.2474099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1389 1 1 1 1 1 2635 1 1 1 1 1 1 1 1 1 1 1 1 1 1388 1718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5030 1 1 1 1 166.0043 *166.006* 166.006@0.64384407 1 1 1 4005 1 1 1 1 1 1 1 1 1 1 1 1 5828 1585 5289 1 1 5430 1 1 1 1 1 1 1 1 1 6367 1 1 1 1 2667 1 1 4933 1 1 1 1 1 1 1 1 7930 1 1 1 1 5326 1 1 1 1 1 1 4915 1 1 1 1 1 1 1 5108 4991 1 2193 1 1 1 1 1 1 1 1 1 1 2101 1 1 1 1 1 1 1 166.006 *166.0063* 166.0063@1.637142 1 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 1 166.0063 *166.0064* C11 H2 O2 2055 1 1937 1911 2156 1 1 4438 1 1 1724 1163 1 1 1612 4193 1 1036 1 1 1 1053 1 2850 7487 2485 1 1 3506 3278 3963 1 3410 1 4098 3896 1735 2922 3727 1 5878 5754 1 3976 1 1 2058 2379 1 1 4267 1 1 2730 3103 1939 1 3758 2918 5854 1 1 2856 5839 4152 2211 4252 4576 1 1 4675 1806 6116 2710 7662 5875 1 2079 5054 2923 8309 1 1 2174 2881 6732 1 4703 6842 7428 166.0064 *166.0093* C8 H6 O2 S - 1.5014493 1 1 4701 5292 1 3527 9449 11623 3574 2369 11117 7735 6577 1 8562 7945 4037 8834 9173 8662 8011 5001 1 5395 1 6509 9536 8740 2937 5609 7172 6743 10952 11309 3743 4690 7593 7076 7481 8584 7033 10996 5180 5065 3028 1 8917 6650 12832 11619 9472 6863 6611 8886 1 3767 3130 1 1 1 4578 16309 5596 5875 8573 13258 7626 9035 7288 10411 9522 6945 10862 10533 7457 8203 10640 10880 1 9167 1399 9312 10847 12400 13230 12684 12324 12139 1 6547 166.0093 *166.0101* C8 H6 O2 S 5958 5053 7883 8086 7150 6083 15419 16765 5598 7262 18374 14264 10515 8203 10701 10946 7153 13475 12778 11855 9728 11338 4342 1 4853 1 10578 13212 7320 1 10124 8402 15664 16357 8346 9696 16187 12947 10444 11608 13164 9936 9253 9236 6897 1 10994 1 18176 17086 11412 10334 13682 10081 8482 7138 8474 1 8315 5565 23019 27858 10779 11421 14881 16478 16498 15464 15356 15588 16138 15636 12989 9925 12686 12193 19126 16717 14462 11566 12361 15019 15044 13048 26265 25325 15584 18174 11417 11356 166.0101 *166.0113* 166.0113@1.5085546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6175 1 1 1 1 1 1 1 1 1 166.0113 *166.0221* 166.0221@1.013849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 166.0221 *166.0232* Terephthalic acid 1 1 1103 2057 1 1441 1872 1 1902 1667 1207 2026 1 1 1 1382 1 2245 1 1206 1 1 1 1 2429 1 1 4890 1255 1 1 1354 1591 1863 1230 2213 1 1967 3462 2194 1 1244 1 1243 1100 1251 1 1 1 1 1 1 1962 1 1 1 1 1 1 3270 1 1547 1775 1097 2672 1627 2743 3122 1479 1 1 1 1 1 2047 1 1 1 7906 6936 2541 1 1 1 1 2758 1 1 1 1 HMDB02428 C06337 166.0232 *166.0323* 166.0323@1.0604286 1 1 1 1 1018 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 1 1 1 1 1 1 1 1 1 1 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 1 1691 1 1 1 2456 1781 1 166.0323 *166.0383* 166.0383@1.6021188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2841 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11239 11886 1 1 166.0383 *166.0392* 166.0392@1.05988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 166.0392 *166.0429* 166.0429@1.6593393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0429 *166.0429* 166.0429@1.0574791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 166.0429 *166.046* C9 H10 O S 13907 13597 1 1 19121 19839 39685 41445 19230 20763 21717 20588 23636 25838 37824 38840 29477 26560 36944 39139 14604 14699 11578 10473 6133 1 43262 43075 9212 8805 63570 64563 24321 26810 11679 11756 19533 20413 36444 36245 56815 7778 1 3134 7740 7101 76279 74402 22994 22852 14461 13381 34675 35393 1 1 7004 7841 13000 1 30980 31860 1 1540 18145 16475 39717 40279 57367 56337 19062 20244 1 23694 22034 17094 27066 29770 34566 33237 14648 15681 1 4462 43330 39587 1 1 18181 16890 166.046 *166.048* 166.048@1.5919063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.048 *166.0488* 166.0488@1.0632205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1439 1 1 1 1 3373 1 1 1 1 1 1 1 1 1 1 166.0488 *166.0536* 166.0536@1.0692153 1 1 1 1 1 2502 1 1 1 1192 1 1848 1763 1684 1 1 1 1 1 1 1 1231 1 1 1 1 1 1 1510 1 1 1 1 1 1 1 1721 2001 1 1 1 1 1 1 1 1 1 2576 1 1587 1265 1 1460 1 1 1 1 1 1 1 1 1168 1 1 1 1 1 1 1 1 1 1 1 1684 1 1245 1 1 3750 1 1 1 1 1 1 1 1 1 1 1 166.0536 *166.057* 166.057@3.0123954 1 1 1 1 1 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 1 1 1 1 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 1 166.057 *166.0588* 166.0588@1.0755409 1 1 1 1 2341 1 1 1 1 1 1880 1 1 1 1 1 2041 1 1 2213 1 1 1 1283 1 2672 1 1 1 1 1 1 1 1 1 1239 1 1 1 1 1023 1 1409 1765 1 1 2205 1 1 1 1 1 1 1 1012 1 1 1 1 1 1 1 1637 1 1144 1 1 1 1 4598 1 1 1 1 1 1 3378 3343 1 1 1 1 1 1 1 1 1 1 1 1 166.0588 *166.0606* 166.0606@1.0721836 1 1 6189 6246 1 1 1176 1 1 1 1 1 1 1 1 1 1 1555 1 1 1 1 1 1 1 1 1 1 1 1 5110 5041 1 1 1 1 1 1 1 1 1 1 1 1 5409 5395 1 1 1 1 1 1 1 1051 1 1 1 1 1 1025 1 1 1 1 1 1 1 1 1 1 1 2620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0606 *166.0796* 166.0796@1.9546694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1768 1242 1223 1 1 1912 2658 2631 1 1 1090 1258 1 1 1 1 1 1 1 1 1 1 1 1 2532 2178 1 1 1 1 166.0796 *166.0899* 166.0899@1.0740494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 166.0899 *166.9865* 166.9865@1.0662867 1 1 85983 88714 1 1 1 1 1 1 43699 42418 1 1 1 1 1 1 1 1 1 1 1 1 59987 65285 1 1 1 1 1 1 1 1 1 1 23830 24124 1 1 1 1 41020 40951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13222 12719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.9865 *166.991* 166.991@1.0614451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6171 7168 1 1 1 1 1 1 1 1 1 1 1 1 6967 6166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.991 *166.9929* 166.9929@1.0662289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3988 3318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.9929 *167.0105* 167.0105@1.0723037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0105 *167.0169* 167.0169@1.0815848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2494 1 1 1 1 1 1 1 1 1 1 1 1 167.0169 *167.0212* 167.0212@1.0801687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1620 1 2166 2561 2979 3132 1 1 1 1 1 1 1 1 1 1380 1 1 2898 4091 1 1 1 1 1 1 1 1 1779 2128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1088 1 1798 1 1 1 1 1 1 1 1 1 1 1 1 1 2928 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0212 *167.0244* Thioguanine 1938 1 1 1 1686 1 1 2560 2404 2406 1 1 2378 2156 3722 3006 1 1680 1 1 1 1 2755 1 1 1 1 1 1618 1849 1 1 2699 2433 1 1 1 1 1 1 2376 2706 1 1 1 1 1 1 2027 1 2286 2953 1 2854 2272 2455 1 1 1 1 1 1 1 1197 3327 2135 1 1 1 1 1 1 1692 1614 1 1 1 1 1 2636 4635 3785 3164 2178 1 1 2397 2617 3419 2338 C07648 167.0244 *167.0244* 167.0244@1.5136877 1 1 12460 14121 1 1 1 1 1 1 7606 7575 1 1 1 1 1 1 1 1 1 2433 1 1 9378 7259 2287 1 3578 3042 1 4115 1 1 1 1 22020 19120 1 1 1 1 8905 11423 1 1 3126 2230 1 1 1 1 1 1 3816 4294 2968 4461 7010 5978 1 1 2187 1 1 1 1 1 2197 1 5185 3312 1 1 1 1 1 1 2656 2437 3124 4761 1 1 1 1 1 1 1 1 167.0244 *167.0246* C7 H6 Cl N3 3131 3122 3126 3204 4453 4443 5984 5327 4536 4799 5120 5623 7571 7109 4404 4258 9373 9017 4683 5286 6268 6686 10566 10667 3560 3084 3835 4304 6834 6474 5011 4807 5009 4858 5306 5484 8466 8614 6683 7814 7167 7132 4785 5546 4479 4618 6763 6423 6675 7217 8982 7778 7873 8238 9267 9087 3449 3778 7907 7769 10967 10568 6144 6419 6505 6140 6662 7032 6167 6260 15860 17588 6765 6616 5803 6345 11465 11287 39794 38568 11107 10416 8143 8531 15650 13696 4674 5127 10368 10009 167.0246 *167.0264* 167.0264@1.5837433 1 1 2987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6417 10865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2726 1 1 1 1 1 1 1 1 167.0264 *167.0303* 167.0303@1.0756719 1 1 1 1 1 2807 3176 1 1 1 1 1 1 1 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 2830 1 1 2387 1 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 2119 1 1 1 1 1 167.0303 *167.0305* 167.0305@1.5982693 1 1 1 1 1 1 1 1 1 1 1 3663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1336 1799 1 1 1 1 1 1 1 1 1 1 167.0305 *167.0417* 167.0417@1.0643378 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0417 *167.049* 167.049@1.6279467 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 1 1 1 1 1 1 1 1 1 1 1 1 1 8576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.049 *167.0529* 167.0529@1.0522645 1 2967 1 1 2768 1 1 1 1 1 2806 2492 2974 2972 2246 1 3509 3210 1 3157 2681 2747 1 1 2066 1 1 1 2767 4073 1 1 2925 1 3238 1 1 1 1 1 2806 2737 2710 1 4057 1 1 1 3025 1 3582 1 1 1 1 1 1 1 1 1 1 1 2782 3789 3911 6780 3210 1 1 1 1 1 3191 1 1 1 1 2206 1 4461 1 2808 1 3219 1 1 1 1 1 2757 167.0529 *167.0537* C4 H13 N3 S2 1 1 1 1 1 1966 1636 1935 2087 2325 1 1 1 1 1 2014 1 1 1 1 1 1 1 1 1 3151 3268 1 1 1 4424 4249 1 3246 1 2633 3758 2392 2019 1 1 1 1 1 1 4082 3348 1 1 2197 1 3747 2964 3022 3392 3279 3673 4053 3622 3528 1 3500 1 1 1 1 1 2628 1 3620 2389 2805 1 2895 2883 1 1 1 3226 1 1915 1 2279 1 2105 3193 2692 3502 2118 1 167.0537 *167.0544* 167.0544@1.6340015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 167.0544 *167.0562* 167.0562@1.6808757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 8513 167.0562 *167.0571* 167.0571@0.7737822 1 1 1 1 2112 1 3315 3044 1 1 1 1 1 1212 1 1 5174 5000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4982 11672 1 1 1 1 1 1 1 1 2030 1977 1 1 1 1 1 1 1 1 1 1 5007 5290 167.0571 *167.9963* 167.9963@1.9728296 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.9963 *168.0099* 168.0099@1.9747033 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 1770 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 1 168.0099 *168.014* 168.014@1.9675565 1 1 1 1 1 1 1 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 1 1 1 1 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 1 168.014 *168.0278* Uric acid 2967 3056 8880 7803 5556 4402 5629 5608 5397 5090 12177 13999 5900 5649 3345 4555 2545 2717 8936 8438 3966 3523 2473 2333 2483 2642 9972 6864 2700 2083 4839 3992 12040 12052 3272 3458 4799 4580 5288 5180 2067 2383 4671 5159 1 2119 2957 2858 4590 4569 4784 4863 4418 4229 1464 1252 2128 1453 1290 1 13774 15677 2213 2070 7695 9007 2468 2339 5349 6133 13048 12850 3713 4040 2900 2342 14624 14268 4411 4190 8241 7307 8084 9514 25142 29981 16942 18519 4188 4958 HMDB00289 C00366 168.0278 *168.0285* Uric acid - 2.925639 1 1 1731 1671 1 1886 2379 2350 1 1 2585 2526 1858 1939 1923 2406 1482 1670 1617 2322 1760 2338 1 1 1 1 1 1 1 1 1 1861 2199 2305 1601 1 1 1491 1624 1663 1 1 2048 2052 1 1 1961 1436 2064 1938 1 1 1 1 1 1 1 1 1 1 1841 2114 1943 1 1 1 1 1 1 2054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1941 1566 1 1 1 1 HMDB00289 C00366 168.0285 *168.0308* 168.0308@2.9384832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1469 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0308 *168.0329* 168.0329@1.4832919 1 1 1 1 1 1 1 1 1 3757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0329 *168.0331* 168.0331@1.9627917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2467 1494 1 1 168.0331 *168.037* 168.037@1.489551 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2741 2229 1 1 1 1 1 1 1 1 1 1 168.037 *168.0409* 168.0409@1.9570454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3627 1 1 1 1 1 168.0409 *168.0442* 168.0442@0.9177803 1 1 1843 2040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0442 *168.0456* 168.0456@1.9591897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 168.0456 *168.0486* 168.0486@1.95219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1509 1436 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1559 1 1 1 1 168.0486 *168.0497* 168.0497@6.82051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6185 6625 1 1 1 1 1 1 1 1063 8278 1 1 1 1 1 1 1 1 2299 2749 1 1 1 1 4149 9996 8597 8059 8011 2468 1 5019 2622 2926 5500 11823 1 1 168.0497 *168.0557* 168.0557@1.9508414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1303 168.0557 *169.0329* 169.0329@1.0644052 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 1255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1246 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.0329 *169.037* 2-Furoylglycine 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2386 2449 1 1 1050 1 1 1 7147 7789 3964 3620 3937 3638 1890 1883 1006 1512 6009 6662 1 1 1 1 1 1 1155 1051 8389 7770 7242 7675 1516 1180 1 1214 1056 1264 1 1 1 1 2274 1 3792 3812 15867 16077 1 1476 2290 2479 3957 3790 1 1 4622 4668 26354 26752 11701 10839 1080 1 9453 9865 11457 11184 HMDB00439 169.037 *169.9973* dihydroxyacetone phosphate (DHAP) 1625487 1743411 1671474 1685131 1712223 1718257 1696148 1711088 1509665 1505471 1660344 1662930 1722143 1698812 1664235 1682606 1829929 1811452 1343584 1349555 1511612 1487571 1403516 1430138 1581557 1539471 1545609 1540773 1294196 1299109 1535064 1651596 1670221 1682453 1675204 1675101 1490246 1511151 1582126 1481817 1566808 1555512 1593128 1608894 1655917 1657435 1472104 1460624 1509307 1407610 1695631 1682410 1550538 1635961 1397174 1521786 1599322 1624203 1472262 1557977 1470473 1477826 1326614 1433823 1723833 1725521 1480034 1491045 1481693 1460623 1090982 1152903 1479341 1384024 1267738 1357724 1194245 1198512 1274368 1242516 1393930 1521390 1330371 1443155 1325546 1334669 1324651 1444180 1410526 1419545 C00111 169.9973 *169.9974* C6 H6 N2 S2 2674 3112 1 1 1 1 1 2173 3501 2743 1 4343 1 1 3088 1 1825 1 1 1 2229 1 2814 1 1 1 2647 3448 2347 1 1 1 2089 1 3518 1 2151 4498 2403 2936 1 2479 3127 2712 1 4666 1 3744 2302 1 3528 4779 3145 5556 2644 2448 3071 1985 1987 2384 1950 1 2344 1 1628 1 1 3475 1 1 1 1 1791 1 1309 2019 1 2422 1 1 1 1 1 3065 1 1 1 3563 2689 1 169.9974 *169.9974* 169.9974@1.3024762 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 2293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2724 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 1 169.9974 *169.9974* 169.9974@3.2159383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 169.9974 *169.998* 169.998@1.4707992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1443 1 1 1 1 1 1 1 1584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1997 1 1 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 1 1 1 1 1 1 1 1 1363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.998 *169.9984* 169.9984@3.0423272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 3842 3296 1 1 1 1994 1 1689 1 3976 1 1 1 169.9984 *169.9985* 169.9985@3.033957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1515 1 2060 1792 1 1 1 5781 1 1 1 1 1 4827 1 1 1 1 1 2508 3078 1 2663 5992 4233 1 4319 1 3420 3563 1 1 169.9985 *169.9997* 169.9997@1.6379514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 169.9997 *170.0005* 170.0005@2.0129972 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 1999 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 2135 1 1 1 1 2704 1 1 1 1 1 1 1 1822 2126 1 1805 1 1 1 1 1 1 1 1 1 1 1 2157 1 1 1321 1 1 1 1 1 1 1 170.0005 *170.0019* 170.0019@1.9947039 1 1 1 1 1 1 1 1 1 1 1 1 2867 1 1 1 1 3227 2467 1 1176 1131 1 1 1 1 1 1 1725 1 1 1 1777 1 1 1 1 1 2096 1 1 1 4055 2777 1 1 1 1728 1 3307 1 1 1 1 1 1 1 1 1 4125 1 1 2244 1 1 1 1 1 1929 2324 1 1 2576 1595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0019 *170.0054* 170.0054@2.068954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0054 *170.0065* 170.0065@2.3785255 1 1 3072 2104 1 1 1 1307 1 1 1 1 3394 2138 1 1 1881 1 3050 3176 1 1 2626 3566 1 1 1 1 2903 4186 1 1 1 1 1 1 1767 1680 1 1 1 1415 1 1273 1710 1 1 1 2852 3261 1 3273 1 1 1715 1658 1 1 2238 2162 1 1 1 1732 1 1 1 1324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3099 1 2354 1 1 2069 2032 3240 170.0065 *170.0079* 170.0079@1.6697769 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0079 *170.0105* 170.0105@1.957325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 3260 2793 1 2096 1 1 1 1 1 1 170.0105 *170.0154* 170.0154@1.9455873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5625 1 1 1 1 1 170.0154 *170.0195* 170.0195@0.8031029 1 1 1 1 1 1 1 1143 1 1 1 1 1 1171 1 1 1 1 3035 1980 5765 4491 1 1 1 1 1 1 1 1 2343 1967 2000 1 1 1 1 1 2067 2554 1 1 1 1 1 1 1 1 1390 1098 1 1 1 1 1 1 1 1 1 1 2640 2737 1732 2231 1 1 1 1968 1 1 3316 3434 1 1 1 1 1543 1 1 1 3385 3513 1 1672 2188 2472 1 1 2696 3519 170.0195 *170.02* 170.02@1.9829639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5365 1548 1 1 1 1 1 1 2891 4038 1 1 1 1 1 3019 1 1 1 1 170.02 *170.0722* 170.0722@1.1001257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11425 11907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0722 *170.0897* 170.0897@1.0714988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 3075 1 1 1 1 1 1 170.0897 *170.0905* 170.0905@1.6265631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4527 1 1 1 1 1 1 1 1 1 1 170.0905 *170.1055* 170.1055@0.95245546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1601 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1055 *170.8684* 170.8684@0.895105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 170.8684 *170.8751* 170.8751@0.8971277 1 1149 1 1 1 1 1 1 1 1 1 1035 1 1 1 1034 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 1 170.8751 *170.8977* 170.8977@0.8943071 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.8977 *170.9742* 170.9742@3.2033908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15397 16424 1 1 1 1 1 1 1092 1 1 1 1348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11193 1 1 1 1 1 1 1 1 1 9272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.9742 *170.9748* C3 H6 Cl N O3 S 10498 10756 14930 14643 13494 14310 13167 12715 12037 11942 17776 17875 12022 11751 18284 17772 9114 8556 11120 9736 7720 9427 14359 15273 17935 17485 11961 12199 1 1 18434 17829 8472 8408 11894 11202 7369 7274 12381 11279 10742 12560 14938 15549 8317 8176 15171 15669 15485 14491 11709 11708 10458 10698 17803 7186 10890 12039 9635 9839 13686 14565 14970 13936 12205 3131 13637 13131 6397 6286 6517 5725 17788 19469 21568 19101 11178 10811 1 1 8116 6717 5808 5832 10760 10611 7256 5755 6764 6825 170.9748 *170.9758* 170.9758@1.5451982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 170.9758 *170.9773* 170.9773@1.3974068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1519 1552 1 1175 1520 1865 1 1171 1 1 1 1 1526 1611 1 1076 1362 1 1680 1831 1787 1683 1 1498 1 1847 1078 2113 1832 1523 1 1431 1327 1 1885 1944 170.9773 *171.0052* 171.0052@0.9882738 1 1 1 1 1 1 1 1 1 1520 1 1 1 1 1 1 1 1 1 1 1633 1 1 1 1 1 1 1 1 1 1 1 1 1 1426 1 1 1 1425 1 1 1 1 1 1 1 1 1 1 1 1 1 1659 1256 1285 1 1 1 2278 1 1 1 1 1 1 2122 1 1 1 1 1 1 1 1 1 1 1 1 1 2439 1090 1 1 1 1 1 1 1 1206 1 171.0052 *171.0317* 171.0317@5.8359804 1 1 1 1197 1 1 1 1 1 1 1762 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 1 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 1 171.0317 *171.0635* 171.0635@3.1543822 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1457 1 1 1 1 1 1 1 1 1196 1 1 1 1 1470 1 1 1 1 1 171.0635 *171.0802* 171.0802@1.0992457 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 28579 29247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.0802 *171.0987* C7 H13 N3 O2 37888 38880 40134 41886 38870 37000 43216 41637 42809 42434 40647 42136 36969 42243 42901 44079 46186 45587 43933 41728 39020 39998 40786 40579 39335 41370 40770 40128 37098 36689 44030 41497 46612 42470 41531 39153 39827 38418 44041 42350 41295 42344 42508 41189 40224 40937 40157 41081 35124 37315 44852 42574 44809 43154 47997 49370 44722 46377 38666 40071 55683 54323 49782 48055 53017 53871 52398 51460 44614 47226 52592 53956 44989 45404 48749 45959 51529 52506 59639 60288 55799 54979 52032 55177 56322 55348 52062 56975 46544 47176 171.0987 *171.0988* 171.0988@5.716652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3632 1 1 1 2872 3496 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 1 1 1 1 1 1 1 1 1 1 1 1 4531 1 171.0988 *171.1108* 171.1108@0.89514554 1 1 1382 1 1 1 1 1 1148 1 1 1 1 1282 1017 1 1 1071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1315 1 1247 1 1 1 1 1 1 1050 1 1160 1 1 1 1 1 1205 1212 1 1 1 1 1 1 1 1246 1 1 1 1 1 1 1 1007 1 1 1 1022 1 1 1 1 1 1 1 1 1 1 1 1 1114 1 1 1215 1 171.1108 *171.1152* 171.1152@0.8945703 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.1152 *172.0041* 172.0041@1.1806834 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23626 29425 1 1 1 1 1 1 1 1 3286 3402 172.0041 *172.0061* 172.0061@1.1605171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1347 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 1207 1051 1671 1733 1 1 1 1 1621 1350 1 1 1036 1402 1 1 1 1 1 1 7778 7789 2031 2104 1 1 1546 1 1 1 1659 1783 172.0061 *172.0109* 172.0109@1.1756083 1 1 1 1 1 1 1 1 1 1 1 1222 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 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 1072 1 1 1 1 1 1 1 1103 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0109 *172.0144* 172.0144@2.651458 1 1 1 1 1 1 1 1 1 1 1 1 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 1875 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 1 172.0144 *172.0194* 172.0194@1.1237489 1 1 1 1 1 1 1 1 6568 1 1 1 1 1 1 1 1 1 1557 1712 1555 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 1132 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 1 1 1 1 1 1 1 1 1 1 1 1 172.0194 *172.0348* 2-Heptenedioic acid, 4-oxo- 3031 3043 2168 2964 3602 1498 1514 3203 3328 3264 1 2949 2326 2148 3432 3541 3129 3409 2620 2680 1428 2986 4393 1884 1298 2977 2459 1530 2775 3655 2052 2178 2690 2589 1650 2736 3180 3273 1728 3033 3515 2962 3293 3114 2310 1849 1213 3146 3489 1509 1436 1557 3788 4034 4519 4131 1120 1569 4636 1940 3284 3366 3306 3240 1823 1988 1871 1908 2911 3081 1582 3113 4297 3430 2752 3364 1984 2547 2112 2554 3192 3212 4094 4412 3053 2732 2645 2544 3394 1604 172.0348 *172.0357* 172.0357@1.4123739 1 1 2879 1 1 3422 3336 1 1 1 1 1 3082 3002 3738 1 1 1 1 1 2467 1 1 5003 2847 1 1985 2852 1 1 2628 2914 1 2060 2898 1 1 1 3199 1 1 1 1 1 3522 3267 3193 1 1 3055 4030 4384 1 1 1 1 3540 3257 1 4793 1 1 1 1 3983 3470 4275 4228 1 1 3476 1 1 1 3792 3524 3625 3624 3874 1 1195 1 1 1 1 1 2846 1 1092 4132 172.0357 *172.036* 172.036@3.1839893 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.036 *172.0397* 172.0397@1.877034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2356 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 1 172.0397 *172.0487* 172.0487@1.903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2053 1 1 1 1 1 1 1 1 1 1 172.0487 *172.0547* 172.0547@1.9435842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3227 1 1 1 1 1 1 1 1 1 1 5606 4144 1 1 1 1 3187 3114 1375 1 1 1 172.0547 *172.0603* 172.0603@1.9602199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1739 1 1 1 1 1 1 1 1 172.0603 *172.065* 172.065@1.9614179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1657 1 1 1 1 2014 1 1 172.065 *172.0703* 172.0703@1.325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4593 1 1 1 1 1 1 1 1 1 1 172.0703 *172.0762* 172.0762@1.1831605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2939 1 1 1 1 1 1 1 1 1 1 1 1 172.0762 *172.0951* 172.0951@1.9748058 1 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1006 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 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 1 172.0951 *172.0966* 172.0966@1.6211275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 172.0966 *172.1016* 172.1016@1.9743311 1 1 1 1493 1 1 1739 1482 1 1 1 1 1254 1 1 1 1 1 1 1 1 1 1 1406 1 1 1 1 1 1 1993 1 1 1029 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 1092 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 1 172.1016 *172.103* 172.103@1.622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1946 1 1 1 1 1 1 1 1 1 1 172.103 *172.1031* 172.1031@1.1246912 1 1 1 1 1 1 1 1 1 1 1 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 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 1 172.1031 *172.1054* 172.1054@1.978269 1 1129 1362 1 1 1394 1 1 1 1 1261 1 1 1784 1 1 1 1 1 1222 1 1 1 1 1628 1741 2356 3233 1161 1435 1 1809 1 1 1 1658 1039 1 1813 1712 1 1 1 1 1 1807 1 1 1 1564 1 1 1 1 1 1 1019 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 1 172.1054 *172.1086* 172.1086@1.9826338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.1086 *172.1088* 9-hydroxy-5Z-nonenoic acid 1477 1224 2068 1567 2445 1961 2146 3607 1885 1776 1253 1 2103 2714 1895 1892 1719 1793 1940 1894 1401 2111 1 1692 2342 2725 1359 1641 2226 2609 3784 1524 1 1 1435 1785 1143 1335 1841 1910 1148 1034 1277 1 1596 1460 1 1288 1585 1336 1115 1540 1605 1216 1 1265 1108 1 1195 1 1962 2572 1420 1301 1683 1982 1505 1322 1184 1324 1 1 1 1 1 1 1389 1066 6952 4166 1391 1690 1482 1711 1 1 1 1 1 1140 172.1088 *172.1366* 172.1366@1.9752654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 172.1366 *172.1418* 172.1418@1.9669975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.1418 *172.954* 172.954@3.3586688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2353 2521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.954 *172.9542* 172.9542@0.8221228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.9542 *172.9543* 172.9543@1.2805824 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.9543 *172.9547* 172.9547@1.6660475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4253 1799 1 1 1 1 1 1 1 1 1 1 172.9547 *172.9548* 172.9548@1.5082171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2083 1 1 1 1 1 1 1 1 1 1 172.9548 *172.955* C5 H Cl2 N3 5836 4935 4782 5386 4718 5449 5800 5453 5850 4776 4887 4371 5635 5609 4462 5235 5328 5962 4041 4647 6528 4871 5002 5466 5227 5649 4519 4408 3889 4413 4656 4582 5624 5129 4923 5538 5074 6462 4954 4655 5480 5323 6066 5990 5273 5086 5333 4556 4790 5336 4642 4890 5028 4720 5301 4728 5249 5539 5291 5238 3970 5132 6341 5381 4946 4488 4085 4577 4746 4609 4933 4219 4801 5448 5244 5615 5200 5624 2294 2496 4181 3628 3634 4950 3950 4376 3764 4771 5332 5588 172.955 *172.9801* 172.9801@1.0596144 1 1 1 1 1 1 1 1 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 1165 1 1 1 1 1 1 1 1 1 1 1 1 1 1269 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 1 1119 1 1 1 1 1 172.9801 *172.9838* 172.9838@1.0592948 1 1 1 1 1 1 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1059 1 1 1 1 1 1141 1 1 1 1 1 1 1 1 1 1 1 1 1022 1088 1 1 1151 1 1 1 1 1047 1 1 1 1 1 1 1 1 1 1025 1 1 1560 1168 1096 1121 1 1 1 1 1 1 1 1 1 1 1 1082 1304 1 1 1 1244 1 1201 1 1 172.9838 *173.0533* C4 H7 N5 O3 1369 1 1 1434 1 1 2623 2874 1131 1194 1148 1280 7480 7408 1 1 1416 1793 2536 2645 2607 2908 2821 3222 1636 1559 4016 3836 3382 3979 1490 1453 1 1 1205 1 1 1 1133 1194 1867 1582 1 1000 1 1 1 1 3713 4257 5291 4575 1530 1610 3202 2983 1411 1148 1952 2012 2578 2237 1 1 2112 2256 4868 4245 1 1546 1 1577 1448 1 1 1 2360 2025 1 1 3995 3656 4475 3873 2749 2905 3826 3891 3740 3087 173.0533 *173.058* 173.058@1.9484931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 173.058 *173.1036* 173.1036@1.6490446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9401 9366 1 1 1 1 1 1 1 1 1 1 173.1036 *173.9626* 173.9626@1.6425446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3390 1 1 1 1 1 1 1 1 1 1 173.9626 *173.9627* 173.9627@1.9747345 1 1 1 1 1 1 1446 1697 1 1 1 1 1 1 1 1 1517 1356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1475 1277 1 1 1 1 1 1775 1 1 1 1250 1 1 1 1523 1 1 1287 1636 1809 1651 2404 2471 1 1 3031 2762 1 1 1 1 1 1 1 2000 1 1 1 1 1201 1 1 1144 1 1 1 1 1 1 173.9627 *173.9631* 173.9631@1.2866977 1 1 1 1 2417 2102 1136 1 1 1602 1014 1 2634 12914 1146 1 1 1 1 1 2157 1194 1 1 1 1 1 1 1392 1 1 1 1 1 1 1 1 1 1 1 1683 2637 1 1 1377 6108 1 1741 1719 1603 3065 1 8264 2215 1 1 1 1 2325 2496 1 2544 1 2327 1460 2276 1 1744 1 1 1 1 1902 1766 2792 2047 1 1882 1 1 2220 1 1 1 1877 1555 1093 1 1612 1 173.9631 *173.9638* 173.9638@4.022815 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 1 1 1 1 1 1 1257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1515 1 2040 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1657 1 1 1 173.9638 *173.9638* 173.9638@4.1332603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 173.9638 *173.9643* 173.9643@6.951248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5314 1 1 1 1 1 4665 1 1 1 1 1 1 1 1 3333 5011 1 4761 173.9643 *173.9647* 173.9647@6.839672 1 1 1 1 1 1 1 3277 1 1 1 1 1 1 2877 1 1 1 1 2852 1778 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 3121 3314 1 2221 1 1 1 1 1 1 3994 1 1 1 1 1 1 2441 1 1 4528 3294 1400 1 1 2945 1 4130 1 3750 1 1 4291 7880 3773 4658 2692 2177 1 2636 173.9647 *173.9647* 173.9647@6.713971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3295 1 4072 173.9647 *173.9649* 173.9649@6.0161266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.9649 *173.9651* 173.9651@5.9641953 1 1 1 1 1 1 1 1 1 1 1 3981 3194 1 1 1 1 1784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3012 1 1 2119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3113 1 1 1 1 1 1 1 1 1 1 1 1 2178 1 3644 1 1227 2176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.9651 *173.969* 173.969@1.287612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.969 *173.9936* 173.9936@0.92404634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 173.9936 *173.9981* Phenyl sulfate 58907 57530 81095 79857 26862 27300 209273 214115 8448 8276 31805 31911 15588 15799 15354 16247 25133 25029 30706 30903 40186 37367 40567 41555 39079 37541 24257 23405 11598 13005 118889 121499 96591 95270 44113 44901 65465 68768 10313 9952 22024 23685 38586 42578 32109 32984 23488 21543 10334 10156 21460 22258 16497 18155 17735 17972 67922 68252 60993 59308 16503 16922 44129 42415 31913 32652 93185 96463 11379 10844 14097 14960 53648 54782 28122 30254 52764 56683 22260 22762 32520 35292 11628 12507 32477 36152 59671 55698 41143 46487 173.9981 *174.0118* 174.0118@6.828579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 174.0118 *174.0153* 174.0153@1.3410709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3792 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 4579 1 1 1 1 9234 1 1 174.0153 *174.0154* Dehydroascorbic acid - 2.0140483 167422 154708 269117 197180 208510 1 65443 70608 1 247619 1 270395 1 206567 158842 164861 5468 1 244768 1 86683 92085 150226 1 1 23071 1 1 113475 91809 1 173139 1 1 150846 1 165778 1 35895 92482 1 1 239057 1 191371 1 15143 107717 35265 35536 1819 1 59130 15911 12382 13271 234582 221969 2996 2393 1 1338 1 1 66415 75391 7698 6425 245861 240419 18588 27080 49939 53087 32864 28837 147268 136439 4013 3030 12768 21905 19707 14225 268926 257229 143388 1 1 18613 HMDB01264 C00425 174.0154 *174.0154* 174.0154@4.0598636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0154 *174.0159* Dehydroascorbic acid 46532 1 77073 81513 61353 1 25383 7273 1 1 67619 69083 1 1 11684 38153 4695 4585 1 26645 15032 35137 37993 22973 1 1 1 1 1 36698 1 79184 1 96115 1 1 48751 1 22703 79693 7519 6616 1 52539 1 1 1 39744 13783 15890 6396 7714 1 8338 3514 1 72999 1 6607 5495 9645 11786 4028 3951 31879 26656 4545 6336 70102 1 14099 16428 18515 24484 1 8077 1 1 25675 28527 7411 12114 9252 8790 1 1 1 15290 8139 9027 HMDB01264 C00425 174.0159 *174.0159* 174.0159@1.5713922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7038 1 1 2173 1 1 1 1 1 1 1 8367 1 1 1 10327 7292 7500 174.0159 *174.016* 174.016@1.4559397 1 1 1 1 1 1 1 1 1 1 1 1 1 44092 1 1 1 1 1 23294 3627 1 1 1 1 1 1 1 1 1 1 1 23424 1 1 1 1 1 62498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2153 12762 1 11306 1 1 1 1 1 1 1 1 31694 38912 30251 20142 1 1 174.016 *174.016* Dehydroascorbic acid - 2.9501877 34226 39080 77766 82509 78695 80233 23452 13139 71346 77826 83254 48015 74336 65678 51328 28780 1 1 95738 26855 28894 27770 66588 10341 34308 62504 85181 1 36652 40569 50953 25094 42912 99855 55616 30304 49469 44243 75960 32954 1 1 72897 66382 1 48992 25435 26658 15955 15748 1 1 10323 10317 1 1943 51561 42600 1 1 1 1 1 1 8176 13278 1 1 26520 48506 5297 4658 15636 16244 3125 6438 19153 29352 1 1 4494 4719 3049 3386 26521 32525 13163 10797 1347 4652 HMDB01264 C00425 174.016 *174.016* 174.016@3.0076988 14479 1 1 1 1 1 1 12241 1 1 1 29685 1 1 1 22096 1 1 1 17108 1 1 1 1 21713 1 1 1 1 1 1 38055 1 1 1 21650 1 1 1 1 1 1 1 1 1 12360 1 1 1 1 1 1 1 1 1 1 12520 1 1 1 1 1 1 1 1 1 1 1 32640 20889 1 1 1 1 1 2685 10449 1 1 1 1874 1 1 1 1 1 1 1 1 3513 174.016 *174.0161* Dehydroascorbic acid - 1.13851 14822 15483 14980 16062 25120 27173 12218 12522 13501 14285 30060 30703 14503 15785 9134 9075 6030 6141 14814 16176 13536 14090 18417 18331 18207 16409 27929 28369 16568 16510 10568 11023 13238 13439 14525 13779 14335 12978 15438 15005 1 1 20179 18735 10984 10558 12636 12681 7428 8766 1 1 5020 4390 5760 5593 21070 22053 2201 2095 1 1 1 1 5123 5230 2620 2828 19916 18258 1 1581 4413 4174 2954 3285 4652 3985 1 1 3010 1 2660 2738 8418 7842 11517 11453 1 2162 HMDB01264 C00425 174.0161 *174.0161* 174.0161@2.0639074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15287 1 1 1 1 146267 1 1 1 1 192712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69352 1 1 1 1 1 1 4874 1 1 1 1 1 5164 1 1 1 1 1 1 1 1 1 1 9739 1 1 1 1 1 1 1 1 1 7677 1 1 1 1 1 1 1 1 1 174.0161 *174.0161* 174.0161@1.3534803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0161 *174.0162* 174.0162@2.7566407 1 1 1 1 1 1 1 1 1 1 1 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 8585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0162 *174.0162* 174.0162@3.3845859 1 1 1 1 1 1 1 1 1 1 1 1 1 3564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0162 *174.0173* 174.0173@1.8102721 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 1361 1 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 1 174.0173 *174.0173* 174.0173@3.0971766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 174.0173 *174.0238* 174.0238@1.9432598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1240 1 3300 1 1 1 1 2284 1 1 1 1 1 1 1 1 1 1 1 1 1 12270 1 1 1 1 1 1 1 1 1 174.0238 *174.0269* 174.0269@1.960968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10655 1 1 1 1 1 9305 8834 174.0269 *174.0341* 174.0341@1.9781868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13600 1 1 1 1 1 6284 6840 1 1 1 1 1 1 2928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1251 1 8725 1 9100 1 1 1 1 1 1 174.0341 *174.0405* 174.0405@1.9680382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5446 5428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0405 *174.0481* 174.0481@1.9622817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7645 1 1 1 1 1 1 1 1 17611 16720 1 1 1 1 1 1 6162 3891 4193 5037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12549 6438 1 1 1 1 1 1 1 1 1 1 174.0481 *174.0492* 174.0492@1.9615456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17548 14708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0492 *174.0827* 174.0827@1.9917475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1588 1 1 1 1 1 1 1 1 1 1 1 1182 1 1 1 1 1 1 1 1 1 1 174.0827 *174.0834* 174.0834@1.6260617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6003 5705 1 1 1 1 1 1 1 1 1 1 174.0834 *174.0844* 174.0844@1.340942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2672 1 1 2321 1 1 1 1 1 1551 1 1 5809 5822 1 1 1 3124 174.0844 *174.0885* 2-Propylglutaric acid 4209 5100 4514 4350 5753 4820 2537 7479 4195 6621 5117 4073 6127 5108 4876 5208 5767 4990 5840 5175 4747 8291 7671 7398 4188 4786 5481 5066 5672 5494 7505 7379 4535 5213 4463 5239 6516 5931 6158 1 7233 6287 3900 1 6064 4661 5004 4563 4558 4429 6095 6708 10238 7817 6321 6007 5772 5459 5786 6677 5558 6740 5147 5149 6199 6903 6160 6264 7717 6328 5405 5987 2162 4517 4463 4235 4675 5368 26699 25007 8630 7961 5727 6811 1 1 7900 7304 7607 4631 174.0885 *174.0921* 174.0921@1.0720047 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0921 *174.1* 174.1@3.283505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20975 22083 1 1 1 1 1 1 1 1 1 1 174.1 *174.1094* 174.1094@0.7524156 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.1094 *174.1183* 174.1183@1.9708366 1 1 1 1 1 1 1701 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 1 1 1 1 1 1 1 1 1 1872 1 1 1032 1 1 1 1 1 1 1 1233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1780 1836 1792 1 1 1 1 1 1 1 1 1 1 174.1183 *174.1205* 174.1205@1.9846102 1 1 1 1 3205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1272 2030 3526 1 1 1 1 1 3617 1 1 1 1 1 1504 1444 1 1 1 1 1 1 2653 1 1 1 1 1 1 1 1 1 1 1403 1 3046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1604 1454 1 1 2402 1 1 1 1 1 1 1 1 1 1 174.1205 *174.1233* 174.1233@1.9841454 1 1 1 1 1 1 1 1 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 1 1 1 174.1233 *174.1249* 4-hydroxy pelargonic acid 6190 5762 5590 5307 6596 7280 6800 6838 5353 5862 6581 6255 9185 9436 6697 6528 5748 5739 6840 7127 6871 6020 7038 7202 7953 8529 7373 7678 8437 8707 3498 3817 4522 4547 4486 4368 3155 3099 3300 3392 1463 1515 2163 1997 2352 2469 1694 1735 3179 3656 2652 1521 3309 2229 2058 1882 2077 2079 1607 1742 2941 2734 1 1 1042 1044 1 1 1225 1227 1 1 1 1090 2114 2152 2553 2900 8065 8632 1138 1 1054 1 1527 1276 1295 1389 1336 1221 174.1249 *174.1255* 174.1255@2.0489202 1 1 1 1673 1 1 1 1 1 1 1 2385 1 1370 1 1 1 1 1 1 1 1 1 1 1 1 1 1603 1 1 1 1 2382 1 1 1 1 1 1 1 1 1 1 1 1 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 1 174.1255 *174.9333* 174.9333@0.90753365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5619 5745 1 1 1 1 1 1 1 1 1 1 174.9333 *174.9637* 174.9637@6.530823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 174.9637 *174.9934* C5 H5 N O4 S 1 1 1 1 6664 6848 3803 1 3879 4517 24315 26770 17174 17228 1 1 1 1 6801 6700 1 1 1 1 1 1 1796 1996 1771 1 1 1 4838 4991 10206 10591 1 1 5761 5772 8883 7085 6109 5016 6800 6853 7061 7118 2015 2364 1 1 13508 14199 6112 5620 6540 6468 3806 4146 12116 11303 1 1 18029 17511 3515 4278 21065 20967 10808 10784 2161 2622 17250 17624 13868 13375 19475 18486 9512 7407 1922 2127 11830 11583 25124 24504 2298 1 174.9934 *175.0084* 175.0084@4.993791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 175.0084 *175.0104* 175.0104@4.5693226 1 1 1 1860 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 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 1 175.0104 *175.0188* 175.0188@1.5217378 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 3683 4256 1 1 1 2362 1 1 1 1 1 1494 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 1961 1 1 1 1 175.0188 *175.0193* 175.0193@1.6625066 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 1 1 1 1 1 1 1 1 1 1 1 2521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0193 *175.0194* 175.0194@2.4083936 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0194 *175.02* 175.02@2.0588872 1 1 1 13589 1 1 1 3022 1 1 1 10958 1 2196 1268 1188 1 1 3402 2525 3269 1 10978 1 1 1121 1 1 1 1 1 1 1 1 1 2514 1 3188 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 3439 1 1 4942 1 1 1 1 1 1 1 1 1 6776 9550 1 1 175.02 *175.021* 175.021@1.3331751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 175.021 *175.0214* 175.0214@1.9663126 1 1 1 4012 1 1 1 1 1 1 1337 1 1 1 1 1 1 1 1 2803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0214 *175.0216* 175.0216@1.2943008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 175.0216 *175.0236* C5 H9 N3 S2 14935 16843 17349 18250 18174 16442 19874 1993 21412 3157 15610 15715 12376 1 14609 14063 10845 10075 19407 18814 16389 18352 23110 22110 19057 1 13065 13592 12352 12553 23285 20458 17292 19470 21816 1 29926 30242 18752 16933 11782 26876 16196 14081 21307 16792 18574 21237 14263 15707 21019 23623 27535 25907 16463 15346 13024 12638 22800 20711 24592 25920 26113 26356 21684 21864 15591 16757 16121 21276 44519 42265 16029 14254 23948 22629 22315 23415 24250 23714 22035 26550 18710 19250 38329 37353 20332 22314 23595 24883 175.0236 *175.0238* 175.0238@3.1587923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0238 *175.024* 175.024@3.0101476 1 1 1 2025 1 1 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 2514 1 1 2978 1 1 1084 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 4840 1 1 1 1 1 1 1 1 1 175.024 *175.0262* 175.0262@2.0027828 1 1 1 1 1 1 2768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1590 1 1 1 1 1 1 1 1 1 1 1 1 1 3274 1 1 175.0262 *175.0396* 175.0396@1.9589231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1622 1 1 1 1 1 1 1 1 1 175.0396 *175.0433* 175.0433@1.9596711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1353 175.0433 *175.0709* 175.0709@1.97 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 175.0709 *175.0751* 175.0751@1.9696288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2689 1 1 1 1 1 1 1 1 1 1 1 175.0751 *175.0823* 175.0823@4.015317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1558 1 1 1 1 1 1 1 1 1 1 175.0823 *175.083* 175.083@2.9244628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1446 1 1 1266 1 1 1 1 1 1 1 1 1 1 1 1 1 6655 6992 1062 1 1 1 1 1034 1 1438 1 1 175.083 *175.099* 175.099@1.1967168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8202 8219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.099 *175.9626* 175.9626@13.256513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 175.9626 *175.9632* 175.9632@7.410968 1 1 1 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 3687 1 1 1 1 1 1 1 175.9632 *175.9637* 175.9637@7.92396 1 1 1757 1 1 1 1 1 1492 1 1 1 1 1 1 1 1 1 1 1 1090 1 1 1 1056 1 2266 1964 1375 1 1 1 1246 1 1 1 1 1 1 1 1 1 1 1685 1 1 1 1 1 1 1 1058 1275 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 2060 1 1 1 1 1 1 1 1 1 175.9637 *175.9641* 175.9641@1.9898825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.9641 *175.9726* 175.9726@0.8294916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.9726 *175.9775* 175.9775@3.5525873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.9775 *175.9779* 175.9779@0.82667994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 175.9779 *176.0219* 176.0219@2.0558555 1 1 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 1 1 2738 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 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0219 *176.0243* 176.0243@1.3229889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2620 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 1967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0243 *176.0248* 176.0248@3.108049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 2172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0248 *176.0268* 176.0268@0.7303337 1 1 2657 1 1 1 1 1 1 1 2502 2539 1 1 1 1 2504 1931 2799 2082 1 1037 1 1 1 1 9875 8612 1 1 1 1 1 1 1 1 1 1 1 2260 1183 1 1 1 1 1 1 1 1 1 1 1 1655 1 1 1 1 1233 1 1 2263 2068 1 1 1 1 1282 1 2366 2256 1 1 1 1 1 1274 1 1 1 1 1 1 1 1 4064 3125 1 1749 1 1 176.0268 *176.0289* 176.0289@1.1836967 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 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 1 1 1 1 1 1 1 1 1 1 1 176.0289 *176.0302* 176.0302@1.2966076 3736 1 1 2567 2982 4599 1 1 4104 1 2479 2086 4532 5255 2139 1 1 1 3354 3578 1 1 2682 1309 1693 1 3020 2320 1 1 4595 2990 4017 4770 1 1 1 1 4219 3590 1 1 2748 1 3108 3494 1 1 1 1 1 1 1 1 1 1 2680 1 1 1 1 1 1 1 1 1 1 1 2441 2075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0302 *176.0318* 176.0318@1.9778137 1 1 2364 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 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 1 176.0318 *176.0363* 176.0363@1.9711261 1 1 1 1 1 1 1 1 1 1 1 2197 1 1 1 1 1 1 1894 2618 1 1 1 1 1674 1 3962 2998 3847 2679 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 1641 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 1 176.0363 *176.0424* 176.0424@1.962165 1 1 1 1 1 1 1 3164 1 1332 1 1 1 1 1 1 1 1 1 1 2581 3056 1 2378 1 1 1 1 1 1 1 1 1 1 1 1249 1 1 1 1 1 1 1 1 1 1 3625 1 13431 2620 1 1 3863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4849 1 3445 1688 1 1 1 2250 1 5666 1 1 1 1 1 1 1 176.0424 *176.0466* 176.0466@1.9587547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5432 1 4781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11402 176.0466 *176.0534* 176.0534@1.9556065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0534 *176.0631* 176.0631@1.4536786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1521 1 1 1 1 1 1 1 1 1 1 176.0631 *176.1032* 176.1032@1.5128127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5560 5476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7434 1 1 1 1 1 1 1 1 1 1 1 176.1032 *177.0008* 177.0008@0.8350303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 177.0008 *177.0148* 177.0148@6.3968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3148 3009 1777 2354 1 1 177.0148 *177.0424* 177.0424@3.6880915 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.0424 *177.0446* 5-Hydroxyindol-2-carboxylic acid 3435 3376 3483 3295 5335 4826 7585 7125 3424 3138 7190 7725 6070 6623 6611 5850 7203 7213 7005 7858 5681 4778 8653 7156 1 1 3876 3740 5476 6587 5304 4859 8512 8470 5511 5760 10845 10958 8276 8331 14712 15021 5397 5043 4504 4078 6084 5810 5725 5901 5105 5137 6184 5906 5504 5860 1 1 7227 7940 9009 8533 5064 5249 5642 5702 7819 8304 7167 3383 15648 16822 7133 6673 4554 4507 6313 6014 13854 7052 9646 9367 6557 6711 9224 10387 4374 5050 9183 8595 177.0446 *177.0771* 177.0771@1.069845 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 177.0771 *177.0785* 177.0785@1.1728677 1 1 1 1 1 1 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 4317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.0785 *177.9003* 177.9003@0.735521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 177.9003 *177.9022* 177.9022@6.8411417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1024 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 1344 177.9022 *177.9039* 177.9039@1.3000252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2111 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 1 177.9039 *177.9052* 177.9052@1.2811103 4023 1 2372 1 3661 1939 1 1 4018 3540 3403 4025 2813 3762 1 1735 1795 2262 1257 3572 2600 1 2445 2591 1 2523 1 1 1 1 1 1 1 1 1 3318 2484 2602 1775 1451 3383 1 1 1 1 1 1 1 1 1 1 2951 2399 2866 2974 1 2540 1 1508 2485 2285 1 2271 1 1 2198 1 1 1 1 1937 1 1 1 1 1 2185 1 1 1 1 1 1 1776 1 1 1 1 1 1 177.9052 *177.9054* 177.9054@1.1819484 1 1 1 1 1053 3426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.9054 *177.9068* 177.9068@0.66122806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 177.9068 *177.9083* 177.9083@2.9354942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 177.9083 *177.9092* 177.9092@2.010435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1298 1728 1649 1 1 1 1 1 1 1475 1 1 1 1 1 1 1 1 1 1 1545 1 1 1272 1314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.9092 *177.9109* 177.9109@2.9903703 1 1 1 1 1 1 2289 1 1 1 1 1 1651 1 1 1 2096 2506 1 1 1 1 1 1 1 1 1 1 1 2430 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 1922 1 1 1 1 1744 1 1 1 1 1 1 1 1 1331 1245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.9109 *177.9115* 177.9115@1.1430812 1 1 1 1 1 1347 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 1609 1872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.9115 *178.0409* 178.0409@1.3303623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 178.0409 *178.082* 178.082@1.8454055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1740 1 1 1 1 1 1 1 1 1 1 178.082 *178.096* 178.096@1.054757 1 1 2146 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 1097 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 6039 1376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.096 *178.1353* 178.1353@1.1647339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3581 3913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.1353 *178.862* 178.862@1.0014639 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 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 1 178.862 *178.876* 178.876@1.011614 1 1 2031 2029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 178.876 *178.9112* 178.9112@1.3465694 1 7263 1 1 3732 6305 1 2075 1 5989 4646 5691 8438 1 2272 1 1 8103 1 1 1 1 1 1 1222 1 1 1 1 1 1 1 1 1 1 1 1 3080 1 1 1399 1292 5323 1 8389 1 1 1 1 1 1 3556 1210 1 1 1 1 1 1 1009 1 1 1422 1 1602 1636 1648 1165 1 1 1323 1 1466 1848 2719 1108 6132 5217 2248 1404 1 1 1 1 1 1 1 1 3033 1 178.9112 *178.9113* 178.9113@1.4375014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.9113 *178.9119* 178.9119@1.2572415 5592 1930 10300 10560 7283 4414 8805 3776 8985 1551 1561 2141 4887 13531 3247 6129 13809 1032 4138 3324 3333 2333 6490 4088 2755 3639 3148 4685 4999 7446 1434 3985 6910 6021 1 7662 4254 1341 6434 8355 4083 4572 1855 7068 1522 5955 4729 6831 7130 4617 5057 1642 7423 7088 7536 5632 4717 5265 3802 5014 9757 8263 3404 2859 4949 6768 1519 3232 7581 3998 6470 5416 6034 6231 9450 4416 1711 1605 1 4574 5724 4519 5002 5848 5559 4833 3872 5122 2096 1 178.9119 *178.9121* 178.9121@0.6597405 2906 1 1 6446 1 1281 1 5099 1 1 1 1 1 8765 3609 6385 4417 4334 2591 1 1 1 1 5252 1 1 1 1 1 6874 2664 2826 7241 6950 7977 5032 4194 6837 4048 1 7153 1 1 1 1 2599 6321 1 1 1 6744 6847 6692 4164 4379 1 1 1 6290 5051 4284 1 1 1 1 1 6379 8926 7262 6641 6054 5898 1 2978 6069 5578 1 4748 1 4796 4960 1 6075 1 3842 1 1 5743 4344 8389 178.9121 *178.9127* 178.9127@0.85833097 2640 1 1 1 3469 1 1 1 1 1 1 1827 1 1 3237 1 1 1 1 1 1 1 1 1 5062 1 3029 1 1 3314 1 1 1 3461 1 3671 2528 2499 1 1 1 1 1510 2166 2552 1 1 1 1 1 1 1 1 1 1036 1740 1 1 1 2498 1 1 1 1 1 3160 1 1 1 1 1 1 1 1263 3577 1 1 1 1 1020 1 1 1099 1405 1651 1052 3273 1 1 1 178.9127 *178.9131* 178.9131@1.7057098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 178.9131 *178.9133* 178.9133@0.805166 1 3664 1 1 1013 1 1860 1062 1 3974 1 1 1 1 1721 2988 1 1 2645 2922 2009 2471 1949 1986 1 1 1 3139 3999 1 2774 1 1 1 3885 1297 1 1 4007 3681 3333 1 1 1 1155 3377 1 1664 1436 1 2504 2835 3072 1 1 2229 3457 3334 1 1 2500 1 2415 4290 1 1 1 1 1992 1 2371 2112 4139 1 1 1 1 1 1539 2261 2565 1 1319 2026 1 1 1554 2622 1557 1 178.9133 *178.9137* 178.9137@0.97251904 1 1 1 1 1 1 1 1 1 1 1 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 1040 1 1 1 178.9137 *178.9168* 178.9168@1.2010399 1 1 1 1 1756 1 1 1 1 1 1 1166 1 1 1539 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1316 1 1 1 1341 1 1 2198 1150 1 1 1 1 1 1 1 1 178.9168 *178.9173* 178.9173@3.0161984 1 3158 1 1 4572 2281 5762 1 1107 1 2026 4579 1094 1 2738 1 1062 5176 1 2555 2904 4247 2941 1 2832 1 2755 1706 1 10232 2055 1 3715 2585 5117 1 2420 3479 1 1 6691 4227 3214 1535 1 1606 1 1 10774 6147 1773 2401 1 2825 1104 5150 1 1 1 1603 1 1301 3433 4434 1 1455 6799 1993 1 1 2574 1 1 1 1 6600 4971 2250 1 4535 1017 2002 1 1 1 1 1 3449 2502 1664 178.9173 *178.9174* 178.9174@2.0194833 1 2896 1 1 1 1 1 1 1 1520 1 1564 1 1 1 1 3690 1 1 1325 1 1 1 1924 2066 1 1 1 1 1 1 1 1 1 2345 1 1 1 1 1 1 1 2227 1 1 1 1 1 2654 1 2526 1 1 1 1 1 1342 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 1 178.9174 *178.9176* 178.9176@2.9539704 1 1 1017 1 1 1 1 1 1 1 1086 1 1 1 1 1 1 2820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2189 1 1 1 1 1 3485 1 1 1 1 1 1 1 1 4270 1 1 1 1 1906 1 1 1 1 1112 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 2690 178.9176 *178.919* 178.919@3.307101 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 1768 1 1 1 1 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 1 1 1 1538 1 1 1 1732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.919 *179.0406* 179.0406@2.9170308 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 1854 3588 1 1 1 1 1 1 1937 1 1 1 1 1 1 1 2233 1 1 1 1 7776 1 1 1 1 1 1 3509 1 1 1 1 1 1 8480 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 1 179.0406 *179.0421* C5 H9 N O6 8496 8588 8122 8376 7539 7269 8922 7927 7744 8570 10183 10906 6438 8772 7781 7900 1 6447 7806 8380 10331 8997 9971 8970 4287 7130 9644 12493 6994 6617 10860 10812 10206 10553 9773 8954 6158 3155 8179 8302 3377 11547 9294 7950 2204 7205 10059 9179 12575 6987 12754 11404 11262 9792 9739 11808 6397 8169 9859 10291 8846 11078 12710 4593 9578 10605 16515 14280 12007 10772 4459 3556 10504 10265 14091 13474 6021 8093 1 1 8261 6382 7676 6443 9032 7443 8252 7196 9134 10519 179.0421 *179.0501* 179.0501@3.0565512 1 1 1 1 1 1 1 1 2354 1 1 1 1 1 2679 3500 1 1 2552 3080 1 1 1 1 2689 3253 2120 1 1 1 1 1 1 1 2897 4445 1 1 3523 1 1 1 1 1 1 2169 1 1 1 1 1 1724 1 1 1 1 3276 2887 4309 3027 1 1 1 4495 1 1 7064 7005 1 1 1 1 1 1 1 1 4686 1 1 1 1 1 1 1 1 1 1 1 1 1 179.0501 *179.0527* 179.0527@3.0674345 1 1 4198 5009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3972 1 1 1 5256 1 1 1 5201 1 1 6464 6380 1 1 1 1 1 1 1 1 1 1 4806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10671 1 1 1 1 179.0527 *179.0564* 179.0564@3.0660694 1 1 1 1 5083 4628 14202 12508 1 1 24753 21249 7880 8151 1 1 6342 5761 1 1 18337 16085 1 1 1 1 1 1 1 1 1 1 6248 6201 1 1 1 1 1 1 13847 12746 4729 1 1 1 5364 1 1 1 1 1 19030 22245 1 1 1 1 1 1 20820 20806 1 1 10570 11239 1 1 9140 7486 12348 11029 6424 6131 13041 12736 1 1 175803 174754 1 1 1 1 11152 1 7762 9222 1 1 179.0564 *179.8508* 179.8508@1.0252185 1 53033 84055 77167 1 48963 66416 64791 53404 1 54556 53752 68194 69229 51536 52506 54108 54330 1 46432 49732 47678 46593 44567 1 1 39629 38707 38913 42535 1 43077 1 1 35807 33456 1 39807 38805 40156 51233 52485 1 47689 59314 58837 48260 51211 42377 1 1 45099 1 1 41529 39431 43270 1 1 1 1 46163 58488 58038 1 41589 1 1 39379 1 1 33628 1 1 1 1 1 1 48383 1 1 1 1 1 1 35109 43948 1 1 1 179.8508 *179.8878* 179.8878@0.761865 2647 2811 2878 2957 1887 1720 7760 7416 3722 3955 4365 7057 3314 3631 3298 3272 3250 3211 3028 4379 4087 3730 1333 1699 3534 3171 3410 3091 3446 3430 2316 2235 1 1 4646 2866 4207 4170 1886 1970 7001 6989 2229 2499 3990 3742 4893 5109 1 1 3605 3697 4599 4314 2698 2379 1654 1956 1298 1 8390 5137 3450 3413 3474 3114 2362 2171 12320 8480 2506 2411 9065 9198 2264 2125 3240 3103 3923 4266 1 1 4372 4504 10297 6488 5809 9595 2494 2367 179.8878 *179.9115* 179.9115@1.1986212 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.9115 *179.9131* 179.9131@3.0248837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 179.9131 *179.9608* 179.9608@0.96033007 1 1 1 1 1 1 1 1 1 1 1 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 1035 1 1 1 1 1 1064 1124 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 1026 1 1 1 179.9608 *179.9644* 179.9644@0.9602197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 179.9644 *180.0268* 180.0268@1.2737387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1481 1 1 1 1 1 1 1 1212 1 1 1 1 1 1 1 1 1 1 1 1 180.0268 *180.0271* 180.0271@3.6359372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 180.0271 *180.0293* 180.0293@1.8624283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1144 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 1409 1 1 1118 1 1 1 1 1 1 1 1902 1 1 180.0293 *180.0313* 180.0313@1.9294629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0313 *180.0322* 180.0322@1.6426682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2709 1 1 1 1 1 2914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0322 *180.0414* 180.0414@1.2724384 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0414 *180.0416* 180.0416@1.6300573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4438 1 1 1 1 1 1 1 1 1 1 180.0416 *180.0427* 180.0427@2.0548348 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0427 *180.0464* 180.0464@1.2770938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0464 *180.049* 180.049@1.5308472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.049 *180.0514* 180.0514@3.2154138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 180.0514 *180.0521* 180.0521@1.4309939 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 1592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1182 1 1 1 1 1 1881 1985 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 1 1 1 1 1 1 1 1 1 1 1 1 180.0521 *180.0541* 180.0541@2.0340443 1 1 1 1 1 1 1 1 1 1 1 3907 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 1630 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 1 180.0541 *180.0577* 180.0577@3.0176766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1454 1 1 1 1 1 5160 1 1 1 2019 2999 4442 1 1 180.0577 *180.0581* 180.0581@1.9993188 1 1 1 1 1 1 1 1 1 1 3182 1 1 2100 1 1 1 1 1 1 1 1 1 1 1 1 4829 3984 1 1 1 1 1 1 1 1 1 1 1 3585 1 1649 1 1 1 1 1 1 1 1 1 1 1 3595 1946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2442 2671 3260 4707 1 5797 6124 1 1 1 1 1 1 1 7002 3981 1 1 1 180.0581 *180.0583* 180.0583@1.3513367 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0583 *180.0599* 180.0599@2.0122752 1 1 1 1 1 1 1 3271 1 1 1 1 1 1 1 1 1 1 9082 9190 1 1 1 1 1 1 1 1 1 1 7194 7497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5666 5465 1 1 1 1 1841 1 1 1 5495 5664 1 1 5698 1 4148 4627 3979 1 10839 7530 6530 6044 1 1 1 1 1 1 1 1 33070 32750 7564 5836 4042 8296 6832 1 1 4754 8988 8242 180.0599 *180.0603* 180.0603@5.0531054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4187 1 1 1 1 1 1 1 1 3631 3929 1 1 1 1 2257 2177 1 1 10144 10207 1 1 1 1 7301 3552 7127 6497 7423 7727 5985 3029 5886 4256 2295 2478 1 4297 180.0603 *180.0614* 180.0614@2.9406903 1 1 1 1 1 1 1 1 1 1 1 1 1 4274 1 1 1 1 1 1 1 1 1 1 1 1 4020 7562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6974 2619 6635 1 5313 1 1 1 1 1 4103 1 1 1 4149 1 1 1 1 1 7499 1 1 1 4062 1 1 1 1 1356 1644 5428 1 3740 1 1 2895 1 1 180.0614 *180.0627* 180.0627@2.8812158 1 1 1 6477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7545 180.0627 *180.0629* D-Glucose 5035 31347 26388 17752 1 1 1 13383 1 35826 13424 17548 7335 11009 6796 27909 18103 15676 37238 14949 9323 27146 35452 25938 1 1 33882 23338 1 28435 9501 22629 19675 17148 38208 13505 14768 15942 14132 11172 30913 29535 13260 12880 1 8724 1 1 16528 18068 10718 11337 1496 10217 17880 5172 15373 7001 13171 12687 1 9528 19753 12589 4280 7461 1 27212 17202 16416 13214 15049 33602 35678 11921 3586 14347 3506 1 11545 14583 43566 33386 7261 18471 15308 17407 12418 17906 11758 HMDB00122 C00031 180.0629 *180.063* myo-Inositol 5185 17624 42139 20335 14065 14702 10386 78051 12142 13231 35039 48751 37329 13665 36008 13552 42614 39640 12887 12145 1026 65799 39402 39840 1 1 49846 41739 39096 7872 22681 7431 19597 3522 49908 42237 41736 41122 9053 29169 58653 54194 42509 52674 29905 4896 20434 14658 2913 42273 67040 59737 11727 44548 20941 23265 29281 26974 45787 29256 18805 25388 29179 35291 17804 83224 26910 60816 42935 1 29094 86116 3820 12209 34846 73385 71956 37770 28769 22131 25450 46804 74170 77312 28787 38424 66197 66446 24380 39449 C00137 180.063 *180.0631* myo-Inositol - 2.6662457 43636 11097 1 10111 1 1 1 15014 1 1 1 1 1 1 14422 12623 10762 11691 10857 1 1 10731 1 11931 1 1 12838 12199 1 2858 1 1 11749 9876 15037 1 1 9853 13147 15780 16615 11215 1 8243 1 15250 1 1 8743 9141 21890 28030 28764 20577 1 21713 1 19014 14768 15773 1 1 12526 13192 1 20460 1 1 17738 1 1 26244 14936 1 5947 14227 23219 1 1 1 1 1 1 27526 17388 29735 1 18737 7098 19277 C00137 180.0631 *180.0631* L-Galactose 1 22992 1 24173 1 13439 20905 1 9332 1 11109 1 1 19849 1 23545 16224 22133 11651 13160 1 1 1 4481 1 1 14175 17214 1 38222 33517 11137 13151 20793 11141 16077 1 1 25521 12613 1 1 13248 1 1 23686 13413 11926 24665 1 1 11426 33707 1 32264 30452 18676 23043 1 18992 74795 1 11367 7250 17088 1 1 1 1 12180 1 1 1 1 35832 1 1 73058 1 1 60733 19181 1 1 31641 20931 1 1 48162 40393 C01825 180.0631 *180.0633* 180.0633@1.4639716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6210 1 1 1 1 1 6693 1 1 1 1 1 1 12194 1 3649 2508 1 1 1 1 1 1 1 1 1 13000 1 1 2956 1 1 1 1 1 6008 6973 20602 1 1 1 1 1 1 1 9651 10393 1 1 1 12370 1 1 1 13700 11324 9607 1 20749 1 1 17874 15431 14647 16530 1 1 1 1 32699 1 6803 3688 5983 4281 180.0633 *180.0633* 180.0633@2.37987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0633 *180.0642* C7 H16 O S2 1 1 1 1 93686 95930 39236 39942 56366 48053 42065 35899 96564 98159 31526 33173 1 1 40494 40025 34149 26477 89546 88771 1 1 5303 5926 51027 53585 13522 14964 49465 48303 35641 46890 20382 24651 41854 41351 74759 64185 1 1 16216 16955 5624 4925 11238 10637 28639 28038 109002 108475 16484 18463 16470 15609 70606 52788 34804 37500 1 1 84143 83034 6986 8163 40086 41195 50525 47054 121979 99173 96099 97218 68467 68407 65901 69769 23639 26223 15670 15078 109675 110176 29576 30245 24830 23592 180.0642 *180.0684* 180.0684@1.0617633 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 1 1 1 1 1 1 1 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 1 180.0684 *180.0761* 180.0761@1.0588046 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 1078 1 1 1104 1 1268 1 1 1 1 1 1003 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 2004 1798 1 1 1 1 1 1 1 1 180.0761 *180.8907* 180.8907@0.8417625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1685 1780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.8907 *180.9156* 180.9156@3.0440612 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 2617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.9156 *181.0446* 181.0446@1.6251218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 181.0446 *181.0473* 181.0473@1.0345991 1 1 1 1 1 1 1 1 1 2514 1 1 1 1 1 1 1 1 1355 1 1 1 1 1 1 1 1 1 1 1 2165 2140 1 1 1 1 1 1 1 1 1 1 2172 2124 1 1 1 1273 1 1 1 1 1 1 1 1 1 1 1 1 1 2165 1 1 1 1 1 1 2974 2587 3088 2525 1 1 1 1 1 1 4762 4837 1 1 1 1 1 1 1 1 1 1 181.0473 *181.0478* 181.0478@1.0421251 1 1 1 1 1 1479 1 1 2171 1 1 1722 1796 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 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 1 181.0478 *181.0523* 181.0523@1.0446626 1 1 1 1 1097 1 1 1 1 1 1916 1 1 1 1280 1 1 2020 1 1 1 1687 1420 1 1 1913 1496 1 1 1287 1 1 1 1 1821 1631 1783 1809 1 1534 1 1 1 1 1 1 1 1 1 1 1519 1 1 1 1 1 1498 1825 2222 2140 2502 1 1 1 1 1888 1 1 1 1 1 1 1 1 1545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0523 *181.059* 181.059@1.0463176 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.059 *181.0596* C6 H7 N5 O2 1 1 11793 11186 1 1 1 1 2262 1 13527 12705 1 1 1619 10189 8600 7168 1 1 14573 14548 1 1 1 1 13174 12243 1 1 15464 15114 15211 16657 1463 1 1 1 6431 6507 1 1 1 1 1 7843 1 1 15245 14096 1585 1 2898 2864 2629 2785 5415 5173 4944 4879 3110 2040 11408 10935 2969 2427 5111 4694 8282 7773 1 1 1 1 7917 6147 1 1 1 1 1 1 1 1 2263 1 1 1 3979 4941 181.0596 *181.0622* 181.0622@2.8011255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1973 2421 1 1 1 1 1 2727 1 1 1 1 1 1 1 1769 1 1 1 1 1 2251 1 1 1 1 1 1 1 1 181.0622 *181.0629* 181.0629@1.0440074 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1269 1027 1 1 1694 1 1 1 1 1 1 1 1 1 1204 1 1 1 1 1 1 1 1 1 1639 1 1467 1 1 1 1 1 1 1 1 1402 1 1 1 1 1390 1 1 1617 1 1395 1478 1 1 1 181.0629 *181.0657* 181.0657@1.4653136 1 1 1 1 1219 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 1197 1 1 1 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 2725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0657 *181.0661* 181.0661@2.4078414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2504 1 1 1 2611 1 1 1 1876 1 1 1 1 1 3982 1 1 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 1 1 2666 1 1 1 3368 1 1 1 1 1 1 1385 1 2590 1 1 1 1 1 1 1 1 1 1 1 1 2251 1 6499 1 181.0661 *181.0678* 181.0678@2.566552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1838 1 1 1 1 1 1 1 1 181.0678 *181.0697* 181.0697@1.0420239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1712 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 1328 1 1 1 1 1 1 1 1 181.0697 *181.0731* 3-Amino-3-(4-hydroxyphenyl)propanoate 1892 2103 2309 2420 1629 1836 2019 1857 1282 1202 4054 4780 2775 2592 2107 2032 2776 3493 3099 2407 2014 1846 1669 1714 1972 1728 1321 1849 1088 1258 2221 2340 1752 1712 1585 1576 1201 1567 2239 2688 3517 3753 2895 2273 1482 1442 1215 1555 1920 1410 3272 3006 2767 2823 2355 2320 1732 1917 1710 1919 2745 3054 1 2288 5092 4558 1348 1 3315 2737 4397 4068 4709 4168 2509 2311 4728 4916 4126 4777 4396 4420 4062 3454 3236 3195 6163 6413 2192 2201 HMDB03831 C04368 181.0731 *181.8434* 181.8434@1.0197114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46885 44386 44003 1 1 1 1 1 1 1 1 1 39895 1 1 1 1 1 181.8434 *181.885* 181.885@0.7610839 1 1 1291 1 1 1 1 1 1739 1847 2657 1 1861 1730 1517 1534 1758 1773 1 1 1688 1939 1 1 1614 1302 1699 1598 1 1 1 1 1 1 1 1197 1879 1703 1 1 3327 3080 1 1 1878 1995 2679 2407 1 1 1284 1453 2096 1906 1 1 1 1 1 1 1 2282 1 1 1 1555 1 1 1 3925 1 1 4662 4483 1 1 1139 1338 2400 2109 1 1 2025 2274 1 3009 2601 1 1 1 181.885 *181.9288* 181.9288@1.9816475 1 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 1337 1557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2035 1 1 1 1 1799 1 1 1 1 1 1 1 1125 1 1 1 1297 1 1 1 1 1289 1649 1 1 1533 1 1 1 1 1 1 1 1 1 1269 1423 1 1 1 1 1 1651 181.9288 *181.9299* 181.9299@1.9752156 3321 3014 3258 2712 3103 3042 1 3507 3281 3052 3032 3304 3761 3638 4009 3604 3867 3662 3435 3467 1 3767 3724 1675 3347 1861 1477 1259 3526 3374 3778 3605 3442 3304 3183 3001 3311 3662 3246 3469 3771 1870 3166 3066 3561 3396 1292 3502 3962 3809 3193 1180 2927 3031 3403 2965 3219 2914 3111 1971 2922 3358 3518 2334 1 3563 2499 2081 1377 1404 3135 2876 1794 3033 2973 3156 1 1100 1 2805 3111 2879 1887 2284 3238 2905 3033 3460 3721 1647 181.9299 *181.9803* C6 H2 N2 O3 S 102771 98053 97843 102033 102154 100262 104759 101166 103982 1734 104032 101996 100268 102175 97139 102522 109462 109528 104365 100677 1119 99939 102585 104233 99753 96042 101520 102351 99258 97070 101393 102984 106401 103662 101348 1690 2562 1764 106965 108291 103987 106619 99764 99707 98485 104542 103070 100153 105635 104168 135481 136110 1011 123402 116570 119819 113035 110971 109105 108479 136298 135821 108206 105480 125841 1378 125135 124475 108819 109894 153006 155778 107001 103206 116728 117728 1305 143457 151443 147584 148505 150856 143024 145832 150019 151532 140656 141768 121584 124058 181.9803 *181.9803* 181.9803@5.5401354 1 1 1 1 1 1 2284 1 1 103289 1 1 1864 1 1 1 1 1 1 1289 102179 1 1 1854 1 1 1 1 2437 1673 1 1 1 1 1 104987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124282 1103 1 1 1 1 1 1 1 1 1 1 1914 1 1 1 1 1 1 1 1 1338 1 1 1 1 1 1 2580 1 1 1 1 1 1 1 1 1 181.9803 *181.9807* 181.9807@5.6885986 2415 1 1883 1 1 2428 1297 1 3126 6443 1476 1 5906 1843 4312 1 2167 1658 5989 4386 2091 5784 3041 5290 2172 1 1441 1 5545 5896 1 1 4661 3391 5845 6104 100640 101831 3986 1 5004 3236 3765 1 4342 4702 1 1 1 1 1 1 5877 5249 4281 1 1 1 1 3786 3685 5541 4782 2988 2299 1 1 1 5035 4495 1 2825 4426 2424 1 1064 141256 1 1 1 4000 1 5566 1 1 4267 4050 4169 1 1 181.9807 *181.9815* 181.9815@5.7836137 7898 14301 6984 4871 12248 9089 13709 5910 7269 6640 3562 4660 4260 6054 8044 1 7637 12599 5332 7520 6488 6479 6989 6260 7282 4549 5424 4547 7203 4851 1 5890 6675 5084 5509 5502 5219 5641 4530 10192 4564 5862 4727 2974 4814 2000 4121 1 5346 6727 4635 4174 2151 5004 3656 6637 4889 4995 4995 4775 4673 2928 2938 5613 5157 128787 1 4369 4850 5839 5440 4383 4013 4574 4628 3269 3943 4832 2302 2888 4718 4761 4259 1 4631 5387 2556 3286 4525 3499 181.9815 *181.9819* 181.9819@5.2245617 1253 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 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 1254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.9819 *181.9833* 181.9833@5.7440705 5701 1 1 1 1533 1 1 1 1 1 7426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.9833 *181.9852* 181.9852@5.0988884 8740 1 1 1 1 1 1 1 1 5962 1358 4184 1 1 1 1 3321 1 1 1 1 2491 1 1 1 1 1 1 1 1 1 1 1929 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 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 1 181.9852 *181.9899* 181.9899@6.0494227 1019 1 1 1 2086 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.9899 *181.993* 181.993@1.0343153 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 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 1 1 1 1 181.993 *181.9939* 181.9939@1.0475459 1 1 1 1 1 1 1 1 1 1 1 1 2749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.9939 *181.9998* 181.9998@1.0292828 1 1 1 1 1220 1 1 1 3491 1 4820 4656 1 1 1411 1 1 1 1 4306 1 1 3385 1 1 1 2412 2157 1 2938 1 1412 1613 2321 1 2041 2783 1 1 1 1 1 1 1729 1 1 1 1 1 1 1 1 2703 4569 1 1 1 1 1 1 1 1 1 1 1475 5216 1 1 1 3673 1 1964 1 2583 1 1 1739 1 1 1 1 1 1 1 1 1 1 1 2604 1 181.9998 *182.0045* 182.0045@1.025954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4234 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 3542 1 1 1 1 1 1 1 1 1594 1 1 3358 1 1 1 1 1 1 1 4722 3462 1 1 1 1 182.0045 *182.0063* 182.0063@4.851884 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0063 *182.0081* 182.0081@6.0680156 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 1 182.0081 *182.0215* 182.0215@0.81468654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 182.0215 *182.0226* 182.0226@1.9722664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 182.0226 *182.0301* 182.0301@1.9583534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3960 1 1 1 4700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5662 1 1 1 1 1 1 1 182.0301 *182.0441* 182.0441@2.3310406 1 1 1 1 1 1 1819 1 2025 2360 4611 5928 4095 3916 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 1936 1686 1730 1 1 1 1 1 1 1 1 1 1 2334 1941 1 1 1 1 1 1 8443 8161 1 1 2123 1 1579 1451 3444 3079 4031 3548 1 2518 1 1 4100 3170 1 1 1 1103 1 1 4351 4894 3530 3783 1 1 182.0441 *182.0446* 182.0446@2.734722 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 3593 3084 1 1 3302 3979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1788 1661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1749 1800 2599 2342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0446 *182.046* 182.046@2.330928 1 1 1 1 1110 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 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 2604 1 1 1 1 1 1 2170 1 1588 1439 1 1 2491 2723 1781 1 1 1 1 1 1 1 1 1 182.046 *182.051* 182.051@1.1779383 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.051 *182.0567* 182.0567@1.4499189 1 1 1 1 1 1 1522 1 3334 4053 1 1 1 1 3844 4330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1817 2378 2676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10077 5183 1 1 1950 2064 1858 1 2308 3294 5169 1 1 1 1 1 3209 2891 1709 1 1 1 1 3381 1 1 1 7837 2676 2109 1 1 182.0567 *182.0571* Veratric acid 1414 1421 1 1244 1 1 3036 2168 1 1 1249 1 1237 1315 1695 1619 1090 1119 1995 1979 1900 1437 1956 2502 1 1 1 1 1 1 1229 1 1 1 1316 1318 3080 3537 3153 3494 2887 1 1 1 1032 1 2070 2005 3402 4149 1121 1 1814 1996 1379 1208 1 1 3651 3422 4202 3659 1 1 1598 1385 1393 1187 1425 1207 1561 1540 1 1210 1 1 1314 1410 2557 1850 3051 3936 1477 1515 1 2535 1 1 3403 2990 182.0571 *182.0573* Veratric acid - 3.0931485 25327 24589 19713 24592 19476 15998 32145 28858 14218 14857 32110 36625 30259 34242 26021 27625 47266 45870 37151 34099 24352 25473 33012 31177 13799 13430 13355 13670 11663 7994 27320 29289 31282 33630 19643 25349 40199 36182 48897 16444 53847 59643 18066 22629 11913 11819 14203 1 28854 27756 36889 34140 40071 32899 26863 30329 23722 20397 50638 47711 46489 40827 23641 27405 39759 41037 27895 32112 25742 25549 46831 54282 33649 38872 34487 35271 35334 34422 9007 5865 51230 48654 29227 27479 32267 27886 22514 20600 33023 27001 182.0573 *182.0576* 182.0576@2.8835123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14405 14723 1 1 1 1 1 1 1 1 1 1 182.0576 *182.058* 182.058@3.0672154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5394 1 1 1 1 1 1 1 1 1 1 1 182.058 *182.0594* 182.0594@0.8917558 1 1 1765 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0594 *182.0643* 182.0643@3.5226302 1 1 1 1 1 1 1 1 1 1 1 3645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2831 1 1 1 1 1 1 1 2256 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 2822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0643 *182.075* 182.075@3.433164 1063 1 1 1 1 1 1 1 1 1 1 3880 1 1 1 1 1 1 1 1 1 2582 1 1 1 1 1 1 1 1 1497 10336 1 1 1 2947 1 1 1 1 1 1 1 2959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5561 1 1 1 1 1 1 2212 1 1 1 11120 1 1 1 1 3077 1 1 3373 1 1 1 1 1 1 1 1 1 1 182.075 *182.0765* 182.0765@3.3996754 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0765 *182.0783* Mannitol 42676 38737 40302 41146 97961 104045 80002 78934 49837 50949 48906 58285 34217 34958 33886 35343 51353 51325 43570 44103 129650 134327 50997 50253 40998 42445 59658 60087 48193 48946 63943 57036 29901 26470 49735 59878 49024 51384 47372 55989 54128 54463 49776 47699 27072 26681 80947 83735 34267 35066 99007 98458 62789 53668 47485 47546 48400 42480 44020 43614 102967 90417 50548 46948 66392 68754 50509 55125 49953 47589 130525 144916 62608 68187 59647 60955 94437 93139 218078 221834 93331 97067 73894 78724 107393 103339 71117 68840 148583 157551 HMDB00765 C00392 182.0783 *182.0904* 182.0904@1.1213018 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 1264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1032 1 1387 1301 1 1020 1 1 1 1 1 1 1 1 182.0904 *182.0935* 182.0935@5.4848003 1 1 1016 1184 1 1060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1025 1 1069 1 1 1 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1207 1 1 1 1 1 1 1 1 1193 1 1 1 1 1 1209 1 1 1 1 1 1402 1195 1477 1330 1224 1 1 1 1 1 1 1 1191 1 1029 1 1076 1442 1 2010 1715 1666 1 1 1 1240 182.0935 *183.0049* 183.0049@0.9640963 1 1 1 1 1 1 1 1 1 1 1 1 1541 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 2246 2226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0049 *183.0332* 183.0332@2.2573698 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 1 1 1 1 1 1 1 1 1 183.0332 *183.0359* 183.0359@2.952315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0359 *183.0367* C5 H5 N5 O3 - 1.9697273 3384 2176 5601 4521 3934 7898 8120 7025 3341 3732 8382 7698 3494 4478 4543 3639 4688 4148 4939 5281 5504 5152 3792 2782 1 4027 6155 8372 2740 3559 5468 5013 6410 4317 4621 4944 4916 4165 3045 4043 4500 4447 3788 1 1 3812 5458 4624 7497 8223 6377 6959 4689 3863 3702 2788 2747 1 3452 4181 11671 12131 5305 5616 6604 7273 15237 9047 1 9250 7248 7106 5695 5394 4528 4943 7333 9573 5521 4639 8442 7519 9611 8650 14189 12047 10875 11181 4295 4663 183.0367 *183.0372* 183.0372@2.089508 1 1 1 1 1 3172 1 1 1 1 1 1 1 2544 1 1 1 1 1 1 1431 1 1 1 1 1 1 1 1 1 1 1 1704 1 1607 1 2218 1 1 1 1 2914 3351 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 1454 1 1 1 1 1 1 1 1 1 1 2175 1 1 1 3595 1 2440 183.0372 *183.0375* 183.0375@2.0456903 1 1 1 1 1 1 1 1 1 1 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 3362 1 1 1 1 1 1 1 1 1 1 2303 1 1 1 2440 1 1 183.0375 *183.0378* 183.0378@1.7930697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1390 1 1 1 1 1142 1 1 1 1 1 1 1 1 1 1 1 1 4189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1896 3699 3785 1 1 3550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2015 1 1 1 4011 1 1 1 1 4908 1 1 1 1 1 1 1 1 4859 1 1 183.0378 *183.0379* 183.0379@1.6998177 6722 1 1 15168 1 1 1 1 1 1 1 1 1 1 2856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10851 1 1 1 1 15279 18799 1 6925 1 1 1 1 1 1 21381 1 1 1 4356 1 1 1 1 6053 1 1 1 1 1 1 1 1 6279 1 1 1 1 1 1 1 91919 94959 2550 1 1 1 11727 1 1 1 1 1 183.0379 *183.0386* 183.0386@2.1737492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 183.0386 *183.0388* C5 H5 N5 O3 192159 199444 353403 345630 291769 289894 528172 536532 260224 263554 531659 555314 320453 312601 362394 347330 343128 356184 442500 445855 427872 431698 212341 208704 227366 225009 429988 424679 236343 254972 350815 358143 503185 510474 306757 311785 389664 377650 296078 289384 358958 348558 349460 349928 167530 158200 356158 359980 530039 579953 373940 389091 335582 345855 239441 231984 172837 197243 227378 227589 850201 849109 401866 400841 528390 531019 396065 383289 456294 439870 518605 525688 406955 394029 308470 301612 524767 528093 317588 313749 451396 462784 571451 602056 762584 753724 629935 617724 313823 315797 183.0388 *183.0435* 183.0435@3.0970247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 183.0435 *183.0498* 183.0498@3.0315506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7520 1 1 2685 1 183.0498 *183.0748* 183.0748@3.3155606 1 1 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 1 1 1 1 1 1 1 1 1 1899 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 1 183.0748 *183.1515* 183.1515@1.5605348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1053 1 1131 1 1 1 1 1 1 1 183.1515 *183.1523* 183.1523@1.5174764 1 1 2154 2453 1 2204 2079 2086 1 1 4179 3719 1 1 1975 1 2460 1 1 1 1722 2903 1 1 1 1 1 1 1 1 1358 1 2651 3990 1 1 3273 1 2333 1 2378 2393 1 1 1 1 1 1 4167 2723 2534 2622 1 1 1 1379 1 1 1031 1 7841 7843 1997 2519 3575 3679 1 1 2946 2957 1586 4030 2726 3371 1760 2292 4795 3573 2291 1368 2329 3411 3330 5080 6496 5609 4750 2606 1 2150 183.1523 *183.1966* 183.1966@1.5149734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2285 2069 1 1 1 1 183.1966 *183.9286* 183.9286@1.9808302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1165 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 1 183.9286 *183.9288* 183.9288@1.9750632 1934 2345 2334 1 2314 2500 2633 2351 2229 2308 2183 1960 2547 2519 2683 2562 2691 2805 2705 2601 2885 2546 1 3036 2927 2212 1876 1935 2906 3127 2616 2579 2934 1085 2350 2477 2410 2760 2554 2606 2726 2835 2519 2312 2638 1 1254 2278 2948 2658 1 1413 2073 2094 2469 2268 2275 2398 2357 1 1239 2085 2571 1326 2218 2522 1 1821 1461 1173 2302 2266 1 1562 1 2477 2253 2163 2408 2327 2472 2292 1206 1008 2153 2134 1 2427 2484 2320 183.9288 *183.9577* C7 H Cl O4 1 1 1 1 1 1446 1 1 1 1 1 1 1696 1471 1444 1678 1 1578 1751 1616 1 1 2197 2270 1 1 1 1 1 1 1 1572 1493 1532 1 1736 2389 1 2210 2130 1620 1 1673 1818 1590 1 1596 1773 1 1054 1955 1581 2331 2465 2010 2237 1 1 2258 2209 2731 2430 2154 2372 1597 1509 1498 1341 2074 1933 2717 2525 1 1263 1618 1786 2561 2021 2475 2301 2615 2633 2257 1 3278 3018 1557 1748 2606 2517 183.9577 *183.9995* 183.9995@0.98383975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43711 44339 1 1 1 1 1 1 1 1 1 1 1 1 183.9995 *184.0116* 2,4-DINITROPHENOL 14501 14965 16643 16036 14001 14322 16077 16370 14646 16260 13090 13737 16520 17580 17262 17497 12389 13808 13357 12320 16292 16702 12536 13351 15769 14938 14155 13525 12568 12286 14786 15776 14237 14795 15867 16281 13468 14454 13238 13311 11786 11885 15597 16212 16084 16757 14843 15095 14137 14378 15976 14593 13444 13859 13035 12033 12894 13497 13105 13394 14436 12952 10262 9978 17470 15684 12346 12682 11685 11019 8836 8330 11802 11921 12894 12578 1 1 13578 13544 12488 11887 11769 12702 11809 11634 10987 11646 13599 12856 184.0116 *184.0229* C5 H4 N4 O4 76942 76431 116008 114536 102558 108969 185898 187037 103020 97919 200936 200320 124171 120781 138657 133464 144531 138864 193129 164751 153797 168820 86035 85449 88675 88870 156092 148738 101984 90609 142957 143710 186915 187602 127812 123331 179837 144329 114838 106662 159741 179812 145423 141273 74351 88647 142820 152373 257224 215001 174254 172032 152575 159087 104084 100550 83275 84014 87287 104433 350064 342338 164832 173897 230492 230601 163181 163644 165122 181334 219293 243700 183936 189040 143051 149273 236529 229490 145378 158743 209811 206837 241182 265605 322225 310434 322667 274894 139215 145482 184.0229 *184.0243* C4 H9 Cl N2 O4 1 1 1 2665 1817 1 2765 3331 1 2970 1 3117 1 1915 1658 2797 2183 1 3935 3726 2435 3135 1 2120 1 1279 1 6054 1 1 2504 2390 1 2548 1268 1124 1 2340 1 3119 2853 2406 2323 2694 1 1 3333 1 7007 4963 1 1 2974 1 1 2197 1 1 1 2781 10383 13292 1039 2350 10206 6123 10915 4233 1 1 6230 14144 10921 6042 1 3340 8547 4409 4395 6373 3548 4025 4274 1 5829 6489 12548 13469 1860 2081 184.0243 *184.0244* 184.0244@1.9895207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 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 1 184.0244 *184.0247* 184.0247@2.9119892 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1258 1 1 1 1 1 1 1 1 2374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1648 1 1 1 1 1890 1 1 1 1 1 1 1261 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0247 *184.0251* 184.0251@1.481324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48032 1 1 1 1 1 1 1 1 1 1 1 184.0251 *184.0255* 184.0255@2.0720372 1 1 1 1 1 1 1 1 1 1 1 1 1 2740 1 1 1 1 3931 1 1 1613 1 1861 1 1 1 1 1 1 1 2026 1 1 1 1 1 2466 1 1 1 3519 1 2704 1 1 1 1 1 2545 1 1 1 1 1 1 1 1 1 1104 1 1 1 1 1 1 1 1 1 1 5418 1 1 1 1 1032 1 1 1 1 3680 1 1 1 1 8124 1 3253 1 1 184.0255 *184.0264* 184.0264@2.1133332 1 1 1 1 1 1 6425 1 1 1 3489 5254 1 1 1963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3654 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 1 1396 1 1 1 4656 1 3507 1 1 1 1582 1 1 1 3126 1 1 3275 2693 1 5276 1 1 8016 1 8462 1 1 1 184.0264 *184.0278* 184.0278@2.985293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 184.0278 *184.0279* 184.0279@1.6683869 1 1 1 1 1 1 1 1 1 1 1 4096 1 1 1 1 4598 1 1 1 1 2026 1 1 1 1 1 2370 1 1 1 1 1 1 1 3130 1 1 3390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4522 1 1 1 1 1 1 1 3944 1 1 1 8591 1 1 1 1 8057 1 1 1 1 1 1 1 5325 1 1 1 1 1 1 1 1 3307 1 1 184.0279 *184.0303* C7 H8 N2 O2 S 16560 19100 3371 31314 30172 4008 56884 45605 22274 18726 44255 43766 27363 32531 1 36719 29031 30484 1 36605 46263 3581 19809 18567 19313 21611 38452 35874 19848 22956 5168 29248 59309 55056 26133 29006 1 50155 29499 33267 28774 1 31157 39753 13282 1 32387 26734 1 58902 33956 32067 33112 29215 22477 21653 15770 18535 21713 20871 81566 94557 39414 33683 43351 46009 33555 36064 51452 41415 52788 45947 37459 33827 33347 31217 52786 61742 12563 46917 51070 54456 69650 49772 75740 89995 1 66064 42099 30675 184.0303 *184.0311* 184.0311@1.5139425 1 1 27151 1 1 24856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29835 1 1 1 1 1 1 1 1 25247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0311 *184.0341* 184.0341@2.123487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2030 1 1 1 1 1 1 1 1 1 1 1 1 184.0341 *184.0355* DIBENZOTHIOPHENE 1 1 1253 1 1 1808 2293 2487 2513 1 1 1 1 1 1 1 2919 3014 3732 4195 6096 6212 1643 2091 1 1 1 1 1 1 2016 2385 2547 2854 2093 1 1883 1905 2396 2155 1 2816 1 1 1730 2052 1 1024 1 1 1 1 2649 2642 1 1 1722 1 2530 1841 5943 4839 3523 3450 1970 1956 4299 4152 2632 2737 2888 3159 2152 2095 1930 2299 2124 2197 1588 1 4172 3993 3258 2850 2825 2665 1 2378 4010 3628 184.0355 *184.0445* C5 H13 Cl N2 O S 4419 3620 5106 5337 1 1930 1 1 1 1 1 1 2186 3203 1 1 5178 1 4330 1 1 6004 2846 1 2456 2459 1 4020 1 1395 1 1 5569 7960 2456 2234 3784 5489 1 3659 3282 1 3074 3669 3412 2568 3685 1 6230 1 4863 3677 1 4139 3633 3223 3161 3440 2111 1 1 1 5380 6257 2668 1 1 1 1 1 1 1 1 2527 4742 1 1 1 1 1 1 1 6857 8221 1 1 4675 1 1 1 184.0445 *184.0454* 184.0454@2.1991613 1 1 1 1 1604 1 1 1 1 1 1 1 1 1 1 1 1 3996 1 1 1 1 1 1 1 1 3222 1 1 1 6914 6821 1 1 1 1 1 1 1 1 1 1 1 1 3142 4034 1 5565 1 4941 3211 1 6194 1 1 1 1 1 1 1 1 1 1 1 1 1 8624 11289 1 1 1 1 1 1 1 5564 1 1 1 7328 6284 1 1 1 12885 1 1 1 1 1 184.0454 *184.0584* C5 H12 O7 1 1 1 1 8956 8306 13644 12706 20027 22009 24971 26855 19931 18302 10517 10309 1 1 11536 10836 10063 7191 9437 9105 1 1 8815 9026 4777 5735 12223 12430 10447 12638 6193 6089 1 1 14606 13875 20418 19349 1 1 1 1 1 1 10007 6088 1 1 22619 24529 1 1 20371 19559 9125 10695 32715 32128 1 1 18692 22131 20709 22176 37859 36798 27561 21124 20860 21432 24966 24413 23962 26864 20057 16174 11330 12874 1 1 41870 54670 18210 15705 7592 6436 184.0584 *184.1057* 184.1057@1.146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 184.1057 *184.1372* 184.1372@1.4088142 1 1 1 1 1 1 2192 1 1 1 1265 1778 1 1 1 1 1 1 1 1 1686 2054 1 1 1 1 1 1 1 1 1 1 2029 2433 1 1 1 1 1 1 1 1977 1 1 1 1 1 1 2953 2502 1 1 2028 1 1 1 1 1 1 1 4656 5189 1 1616 1 1 1 1 1 1151 1 2751 1 1940 1 1 1 2693 1 1 1 1 1673 1 3500 1 1 1 1 1 184.1372 *184.8618* 184.8618@0.76037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1871 1 1 184.8618 *185.0066* 185.0066@1.0712095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1290 1 1 1 1 185.0066 *185.0317* 185.0317@1.507992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 185.0317 *185.039* 185.039@1.5632521 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 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 3471 1 1 1 1 1 1 1 1 1 1 185.039 *185.0649* 185.0649@6.0099187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1873 1 1 1 1295 1742 1 1 1 1 1 1 1 1 2236 2359 1 1 185.0649 *185.0793* 185.0793@6.4531975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1256 1 1 1 1 1 1 1 1 1 1 185.0793 *185.1045* 185.1045@1.6391021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4895 1 1 1 1 1 1 1 1 1 1 1 185.1045 *185.8712* 185.8712@0.73736286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1966 2003 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 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 1 185.8712 *185.8857* 185.8857@1.2089858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1631 1525 185.8857 *185.9566* 185.9566@2.4820552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 185.9566 *185.9613* 185.9613@1.3968734 1 1 1 1683 1937 1728 1984 1661 1499 1645 1930 1639 1911 1408 1721 1 1683 1761 1 1 1716 1300 2848 3156 1475 1394 1 1 1 1 1 1 1 1 1670 1 1 1 1135 1 1 1 1 1241 1 1092 1 1 1 1 1621 1956 1065 1372 1796 1 1 1 1863 2424 1 1145 1 1 1 1 1 1370 1 1 1 1341 1 1 1 1 1 1 1 1075 1 1 1347 1 1 1 1 1 1 1 185.9613 *186.0069* 186.0069@0.892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 186.0069 *186.0203* 186.0203@2.66477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1520 1529 1 1 1 1 1 1 1 1 1 1 1023 1027 1450 1553 1 1 1 1 1 1 1 1335 1 1 1 1 1 1 1828 1777 1 1174 1 1 1122 1206 1951 1 1 1 1 1 1 1 2006 1 2614 2304 1 1 1 1 1360 1546 2158 2268 1 1673 1 1 3094 3007 1 1 3450 3571 186.0203 *186.0206* 186.0206@2.9034448 1 1 1 1 1 1 1 1 1 1 1 1 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 1134 1 1 1 1 1 1 1 1 1 1989 1695 1 1 1 1 1445 1475 1719 1635 1 1453 1000 1 2077 1897 1 1 1980 1997 186.0206 *186.0209* 186.0209@1.1658859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 186.0209 *186.0269* 186.0269@2.040822 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 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 1 1 1 1 1 1 1 1 1 1 1 186.0269 *186.027* 186.027@1.1425653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1510 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 1 186.027 *186.0285* C5 H11 Cl O5 1 3226 3159 1 4720 4310 3593 3223 1 2707 4686 2226 1 1 3623 1 2734 4964 2515 1 1 1 2295 1 3625 1 5216 1 1 1 1 3498 4735 2444 2266 5370 3468 5761 4764 1 5816 1 1 5450 1891 1 1 1 1 1 1 1 2560 6995 4492 4626 1 1 3437 5240 1 1 7436 6635 1 1293 1 3385 1 6082 6649 1 1303 2555 4912 5269 1 5932 3500 6745 7266 7654 8260 5656 2435 7836 1 1 7747 1 186.0285 *186.0294* 186.0294@2.015522 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4190 1 1 1 1 1 1 1 1 1 1 1 1 4252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2053 6335 1 1 1 1 1 186.0294 *186.0303* 186.0303@1.1078908 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.0303 *186.0336* 186.0336@1.1043531 2821 3159 2353 2456 1 1 46148 44670 1 1 1 1 4205 5963 2535 2623 1 1 5010 6535 2376 2470 1 1 1 1 3724 3821 1 1 1 1 1 1 1 1 1 1 3008 3149 5311 5865 1 1 1 1 1 1 2629 3334 1 1 1 1 2046 2444 1 1 7443 8246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6214 5120 1 1 1 1 1 1 1 1 1 1 186.0336 *186.0372* 186.0372@1.6058719 1 1 1 1 1 1 1 1593 1 1 1 1 1 1 1226 1 1 1 1 1 1 1 1 1 1 1682 1 1 1 1 1 5129 1 1 1 1 1 1 14149 1 2076 1 1 1 1 1 12555 1 1 1 1 18261 1 1 1 1 1 1 1 1 1 40756 1 1 1 23619 1 1 1 1385 12809 1 1 1 1 1 1 19423 1 1 1 1 1 1 1 1 24828 1 14031 9109 186.0372 *186.0406* 186.0406@1.5121447 1 1 1 1 14193 1 26465 6545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10806 10607 1 1 1 1 1 1 1 1 1 1 1 1 1 19539 1 1 1 1 1 1 8030 1 1 1 1 1 1 1 1 1 11259 12058 8364 1 5836 9519 1 1 1 1 1 1 21635 7062 1 1 1 1 1239 7716 1 1 1 1 20295 1 1 1 1 1 1 1 1 1 1 1 186.0406 *186.0417* 186.0417@1.4110734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4934 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 1 186.0417 *186.0471* C3 H10 N2 O7 1 1623 1366 1 1 1 1 1 2748 1 1 1 1 1 2050 1 1651 1 2112 2042 2144 2140 2136 2063 1 1790 1872 1 1 1 1 1821 1995 1625 1 1 1 1561 1826 1736 1 1 1767 2354 1908 2316 1 2708 2013 2087 1844 1951 1713 1398 1086 1955 1 1 1 2819 1 2287 1 1771 2050 1295 1 2216 1 1 1 1 1 1 1 1914 1655 1 1 1 1 1849 1627 1334 1 1 1 1212 1 1 186.0471 *186.0527* 186.0527@1.3230153 1 1 1 1 1 1 1 1 1 1 1 2083 1 1054 1 1800 1 1605 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 1685 1 1 1 1 1 1 1 1 2296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.0527 *186.056* 186.056@1.2002454 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.056 *186.0724* 186.0724@1.325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3436 1 1 1 1 1 1 1 1 1 1 186.0724 *186.0887* 186.0887@1.1620167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 186.0887 *186.0931* 186.0931@1.1652148 1059 1 1217 1032 1967 1922 1 1428 1142 1209 1424 1254 1550 1416 1330 1365 1249 1 1350 1 2544 1653 1 1399 1775 1920 1 1 1664 1731 1 1 2166 1 1 1 1 1 1 1305 1012 1 1 1235 1083 1259 1 1198 2248 1962 1 1059 1 1 1321 1538 1 1381 1 1 1912 1561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3459 3254 1 1 1 1 1 1 1241 1 1 1 186.0931 *186.0977* 186.0977@1.165326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2803 1 1 1 1 1 1 1095 1370 1 1 1705 2911 1 2653 1576 1 1 1255 1 1 1 1 1003 1 1 1 1 1 1 1 1 1 1689 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 1 186.0977 *186.1039* 186.1039@1.1285311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28073 27674 1 2653 1340 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 1741 1707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.1039 *186.1098* 186.1098@1.1436692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1151 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 1125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1122 2136 1 1 1 1058 1 1 1 1 186.1098 *186.1234* 186.1234@1.9787816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1933 2146 1 1 1166 1213 1 1 1272 1287 1 1 1197 1563 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 1 186.1234 *186.1272* 186.1272@1.1058246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 186.1272 *186.197* 186.197@1.1988554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1275 1 1 1201 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 1 186.197 *186.9577* C5 H N O5 S 2024 2061 2214 1 1817 2030 1 1 1 1 1721 1 1624 1 2004 1999 2276 2151 1568 1878 1 2095 1 1829 1867 1801 1496 1 1492 1843 2024 1 1 1775 2299 1 2095 1 1 1 2414 1 1808 1 1524 1 2111 1 1813 1 1 1931 1 1736 1956 1 1 1 2716 2360 1 2127 1 1 2007 2126 1 1 1 1 1 1 2534 1 1 1 1724 1 1 2019 1 1 2421 1 1 2232 1514 1983 2094 2048 186.9577 *186.9634* 186.9634@3.356558 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.9634 *186.9662* 186.9662@1.5346901 1 1 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 1909 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 1 1 1 1 1 1 1 1 1 1 2490 2476 1 1158 1 1 1 1 1 1 1 1 1 2173 1 1 186.9662 *186.9675* C6 H2 Cl N O4 1 1 1 1 2124 2786 2449 1 2179 1 1 2338 1 1 1 1257 1 1 1787 1434 1200 1 1979 2534 2539 2036 2290 1 2720 3164 1962 1956 1578 1 1 2593 2127 1127 1 1657 1 1814 1 2034 1687 1833 1787 2507 1428 1 1759 1462 2996 3306 2422 2759 2109 1349 2922 3405 1745 1 1298 2428 1276 1466 1800 2742 1959 2379 2978 3129 2056 3684 2596 2626 2650 2690 2848 2920 1739 1937 2825 2532 2434 2397 1410 2667 2528 2623 186.9675 *187.0278* 187.0278@1.4085872 1 1 1 1 1 1 1595 1 1 1 1 1 1 1 1 1 1 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 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 1383 1 1 1 1 1 3013 1 1 1 1 1 1 1 1 187.0278 *187.0298* C4 H11 Cl2 N3 O 1 1 3156 1 1 1 1006 3177 1 1 1 1276 1 1896 1907 1 2073 1 3417 6100 1 1 1 4288 1 1 1 1 1 1 2485 3807 1 1463 1 2215 5646 1064 2710 2330 2970 2851 1 2227 1 1 2435 2362 1 1 1080 3430 3370 2868 1 1 1 1 1 3409 5568 3248 1 1 1 1 1 2431 2325 2810 9122 3321 1 1 3484 1 2830 2833 10137 9584 5438 4450 1 1271 8893 1 1896 2781 4569 6887 187.0298 *187.0316* 187.0316@1.4815388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2395 1 187.0316 *187.0447* 187.0447@6.406223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 187.0447 *187.0511* C7 H10 Cl N3 O 1147 1238 1432 1319 1889 1620 2237 1904 1 1500 1376 1241 2100 2113 1529 1689 1151 1278 2579 2346 3230 3467 2054 2164 1978 1476 3801 4323 1632 1967 1 1444 1391 1371 1757 1758 1509 1457 2055 1854 1400 1638 1268 1112 1167 1 1 1 1855 1380 1439 1 1 1188 1 1257 2300 2497 1828 1820 1 1 1104 1 1415 1 1546 1 1193 1 1 1 1426 1 1 1 1 1 2490 2004 1 1 1376 1413 1 1 1544 1 2180 1723 187.0511 *187.0521* 187.0521@3.2727127 1 6096 1 1 1 1 1 1 1 1 1 27263 1 1 1 1 1 1 1 1 1 1 1 1 1 20045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26110 1 1 187.0521 *187.0522* C5 H9 N5 O S 1 1 1 16844 1 29652 1 1 1 1 1 1 1 1 1 1 44162 31520 1 39773 52977 1 1 1 1 1 69337 77992 1 1 9598 11851 23376 38445 31051 25500 1 27989 54939 62170 1 1 1 1 1 1 1 1 1 1 1 1 1 32535 1 1 67677 73900 1 37065 1 49021 1 1 71799 1 1 1 29851 33823 76623 65433 1 25226 1 36073 1 97085 205644 35330 1 1 1 1 95339 112565 144382 118521 129874 107866 187.0522 *187.0523* 187.0523@3.3532703 20479 9092 21855 1 1 1 1 1 1 1 1 1 1 31235 12681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22380 12543 14865 1 1 1 1 1 1 1 1 1 23142 1 1 37781 1 1 1 34327 1 1 1 1 3544 5308 1 1 1 1 1 1 1 19110 9804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3204 1 1 187.0523 *187.0523* 187.0523@3.600504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3776 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 1428 1 1 187.0523 *187.0528* 187.0528@2.8657172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13596 10591 1 1 1 1 1 1 1 1 1 1 187.0528 *187.0623* 187.0623@5.4213634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1898 1877 1 1 2085 2675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.0623 *187.0818* 187.0818@1.692 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 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 1 187.0818 *187.1203* 187.1203@1.4367166 1 1 1073 1516 1 1 1 1 1 1 1 1 1 1788 3692 3828 1 1 6354 6322 1 1871 1 1 1 1 2981 2936 2424 2025 1 1 31877 32374 1 1 5169 4824 3085 3536 1 1 1 1 5149 4715 1 1 1 1 1 1 1 1 1980 1 1 1 4820 4487 1 1 1 1 1 1 22174 23375 1730 1200 1 1 1 1637 1 1 1 1 3287 3320 1 1 1 1 1 1 4847 5444 1 1 187.1203 *187.9238* 187.9238@0.8940812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 187.9238 *187.9276* 187.9276@0.9330358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 187.9276 *187.9402* 187.9402@1.9999017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.9402 *187.9405* 187.9405@1.9654803 15249 16258 13623 12365 16069 14637 17403 17583 15011 14563 14779 11160 14110 12287 13406 14690 17594 14640 15679 14416 15526 16321 12754 12039 13757 16211 14147 13840 13274 11443 11237 11950 13523 13563 12473 13444 14750 15015 13464 12109 15709 15304 15409 14237 14643 13713 14238 1 14208 13790 13645 16255 13943 13050 14999 8025 13636 14136 14647 13532 7793 13711 14255 6879 14878 12012 13156 1 10690 11538 12902 13428 13866 12728 13895 9240 13824 13187 11830 12127 11278 14609 13960 8888 13732 12435 13620 10489 15498 13477 187.9405 *187.9405* 187.9405@3.2192645 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 10772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.9405 *187.9405* 187.9405@0.95593506 1 1 1 1 1 1 1 1 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 2582 1 3266 1 3047 1372 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 1670 1 1 1 1 1 1 3566 1 1 1 1 1 1 1 187.9405 *187.9405* 187.9405@0.66306627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5935 1 1 1 1 1 1 1 1 1 1 1 7245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3041 187.9405 *187.9406* C6 H4 O S3 - 1.2771038 1 1 12519 5836 7937 9918 1 1 7188 1 7313 1 8001 9598 4439 1 1 1 4570 8866 4409 1 1 2573 5203 5020 5566 10010 1 10069 1 1 7865 1 5001 2534 1 7346 7999 6671 7180 5782 1 1 1 8389 1 1 1 7911 1 1 7742 8306 1 1 7143 8433 1 1 1 1 1 1 1 6534 1 2914 7336 6358 1 7164 6543 5444 1 4417 7799 7923 7682 1 1 7362 4696 1 10010 9502 7539 6808 1 7231 187.9406 *187.9406* 187.9406@2.0410838 1 1 1 1914 1 1 1 1 1 1 1 2851 1 1 1670 1 1 2275 1 1 1 1 1 1 1 1 1 1 1 2041 1944 1514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1188 1 1 1552 1 1759 1 1 1 1 1351 1 1 7197 1 1 1 1 1386 1 1 1 1307 1 1 6297 1 1 2205 1 1 1 1 1 1 1 1 1789 1 1 187.9406 *187.9407* 187.9407@0.7053404 8842 1 1 1 1 8491 4935 9097 1 1 3515 7823 1 1 1483 1 1 6751 4086 1 1 1 1 1 1915 1 1 1 3146 6585 1 1 7605 9690 1 1 1 6850 7614 1 1832 8249 8104 1 6197 1 1 1 6572 1 3001 8958 7455 1 1 2679 1 1 5519 4068 1 1 1926 1 1 1 3213 1 1 1 4223 1 1 1 4897 1634 4748 5348 1 1 1 1 3472 1346 4451 1813 1 1 1 2649 187.9407 *187.9408* 187.9408@2.958877 1 11930 1 7201 1 6585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12068 1 1 1 1 1176 1 1 7893 1 1 1 13684 1 1 1 3049 1 4179 1 1 1 1 1 1 1 1 1594 1 1 1 1 1 1 1 1 1 5319 1 1 1 1 2583 1 1 1 1 1 1 6588 1 1212 6986 1046 1 2735 1 1 1 1 1 2702 1 1 187.9408 *187.9408* 187.9408@1.0702603 1413 1 1 1 4083 2931 1 1 2152 1 1 1 4765 3254 2725 2461 7909 8843 1 1 1 1 2310 2030 1 1469 1 1302 1496 1 3076 1 3336 2023 1 1875 1 1458 1895 2261 1811 3117 1 1868 1 1 2289 1 1 1781 3209 1 1 1 1277 1 2792 1 2416 1938 3750 4268 1 1 2795 2231 1 2996 2764 1 1 1 1 1 1 2737 1722 1847 1 1 3791 2445 2019 1759 1 2690 1 1560 4219 2043 187.9408 *187.9409* C6 H4 O S3 2478 10165 9428 2613 4921 6627 5580 6896 10992 5533 6104 4659 3190 4870 3655 4578 7715 2355 3885 6789 1 1941 6426 5296 5480 5403 1 1891 5780 5258 7943 4055 2691 1821 6580 4604 7229 3836 5092 2252 5207 4479 3167 7452 4759 1 5976 1 2669 3275 4027 3317 5109 2443 4499 1523 3915 1558 4058 1897 5624 6620 2067 3464 3216 8571 2724 2120 5569 2387 4286 1 5258 1 3940 1622 5047 4827 4811 1 2481 4013 3700 3175 4553 1595 1989 3510 4138 3883 187.9409 *187.9409* 187.9409@1.2125988 1 1 1 1 1 4842 1 1 1 1 1 1 1 1 1340 1 1 1 1 1 1 1 1 1 1 3103 1 1 1 1 1 1 2090 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 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 4434 187.9409 *187.941* 187.941@3.0803266 1 1 1 1 1 1 1 1 1 1 1 1 20906 4055 1214 1 1 28773 1 3466 22268 19635 1 1 1 1 1 1 1 1 1 6726 16999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16374 1 1864 7566 1 2872 12849 8606 1 1 19258 1 1 10732 6795 1 1 1 1 15678 1 1 1 5760 14901 1 9273 6800 1 8722 4957 10056 1 1 1 1 1 1 4939 7799 1 1 187.941 *187.941* 187.941@3.347522 1 1 1 1 1 1 1 1 1 1 1 1 1 2162 1 1 1 1 1 1545 3256 1 1 1 1 1 1 1 1 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 2098 1 1 187.941 *187.9411* 187.9411@1.5960643 1 1 1 2846 1 1 1 1 1 1 1 1 1 1 3609 1 1 1 1 1 6147 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 8784 1 1 1 1 1 1 1 1 1 1 1 1 1 2971 1 1 18809 19147 1 1 1 1 1 1 1 2085 1 3932 187.9411 *187.9413* 187.9413@1.4371557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2590 4505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2910 1 1 1106 1 1 1 1 1 1 1 1 1 1 1 1713 1 1 187.9413 *187.9418* 187.9418@3.8746288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 187.9418 *187.9421* 187.9421@3.4995537 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.9421 *187.9805* 187.9805@0.98148817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3806 1 1 1 1 1 1 1 1 1 1 187.9805 *188.0142* C7 H8 O4 S 10788 10239 108886 100219 70297 69128 95494 132917 26967 22122 203009 212735 104702 101610 66911 72335 140287 139675 170700 162264 119678 121009 1 5463 77025 61471 185211 179240 22291 22692 76544 87730 136024 133149 87801 89117 39400 52371 78586 79822 94912 100593 53027 56841 26828 19719 113513 115203 27168 37811 104052 83420 71475 54993 128328 103287 52157 50877 53900 46784 239699 223990 23726 32646 196447 196410 164864 174960 136086 112085 57495 48452 97463 98286 77692 76360 10895 10747 62196 60253 123753 132463 49270 61950 139508 142073 331971 332893 76396 78074 188.0142 *188.0151* 188.0151@0.7854019 1 1 1 1 1 1 36159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20133 1 1 1 23478 1 1 1 1 1 15382 1 1 1 1 1 1 1 24755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0151 *188.0209* 188.0209@0.6933598 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0209 *188.0221* 188.0221@0.776838 1 1 1 1391 1 1 1 1 1997 1 11747 4601 1 1 1 1 1 9173 1 1449 1 1 1 1 1 1 1 2573 1375 1439 8520 1 6140 8957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8983 1 1 1 1 1 13816 1 1 1 1 1 12041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9395 1 1 1 1 1 1 1 1 1 188.0221 *188.0276* 188.0276@0.8433471 1 1 1 7722 1 1 1 1 1 1 1 1 1 1 1 1 4045 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0276 *188.0314* 188.0314@1.4326172 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4241 1 1 1 1 1998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0314 *188.0317* 188.0317@1.0994275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4106 5759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0317 *188.032* 188.032@1.9836476 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 2226 1 1 1 2064 1 1 1 1 1 1 1 1 1 3455 1 1 1 1 1 1 1 3531 1 2365 1 1 1 1 2353 2791 1410 1 1 1 1 1194 1 1 1 1 1 1 1 2877 1 3416 1 1 1 5067 1 1 1 1 1 1 1 1 1 188.032 *188.0328* 188.0328@0.8400297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0328 *188.0355* 188.0355@2.8457496 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0355 *188.036* 188.036@1.969763 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 3161 1 1 4374 4300 1 1 1 1 1 1 1 3966 1 1 1 1 1 1 1 1 1682 1 1 1 1 1 1 3469 1 1 1 188.036 *188.0371* 188.0371@0.8370981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4989 1 1 1 6782 1 1 1 1 1 1 4957 8344 1 1 1 1 2191 1 1 4138 3992 1 1 1 1 1 2595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6491 1 1 1 1 6759 1 188.0371 *188.0376* 188.0376@1.509285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3160 1 1 1 1 1 1 1 1 1 1 1 188.0376 *188.0407* 188.0407@0.82696414 1 4415 1 1 5101 6108 1 1 5345 6496 1 1 6475 7261 1 1 1 1 1 1 6387 5041 1 1 6012 1 1 1 10381 10048 1 1 1 1 1 1 1 1 6311 6637 1 1 6698 4745 5799 5585 1 1 7042 8250 1 1 1 1 1 1 9514 9219 1 1 1 1 5612 6097 1 1 1 1 1 1 1 1 1 1 1 1 3437 3529 6739 7228 1 1 4010 1 1 1 1 1 1 5782 188.0407 *188.0423* 188.0423@2.4596305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1984 1 1 1 1 1 1 1 3906 1 1 1 1 1 1 1 1 1 1 1 1 1385 1 1642 1 1 1 1 1 1 1 1 1 1 2361 1 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 1 188.0423 *188.0444* 5-Hydroxymethyluracil 6173 4720 5023 5548 5410 5900 5881 2908 7374 5289 5176 6418 5222 6281 4544 6667 6420 7840 8836 8075 5011 5563 8630 7835 5847 4078 4847 5164 6650 6003 9741 5901 6382 7211 6454 7780 10839 1991 8686 8366 8963 9314 7445 5492 8464 4788 7645 8432 7628 7121 10529 11006 16490 11265 7904 7788 4015 5941 10676 15243 16183 18042 11744 12332 7465 10206 9966 7060 9695 8980 16112 16847 6347 6931 7254 9336 19145 19029 3584 14526 12877 13116 11427 14533 17338 26670 13857 11263 16634 24273 HMDB00469 C03088 188.0444 *188.045* C7 H12 N2 S2 1 1 1 1 2872 2749 3830 4702 1 1 2218 3079 1 1 1 1 3586 3810 1 1 1 2547 2614 2553 4269 3213 2700 2476 1 1 1523 4327 1631 1 2730 3763 1 1 2455 2725 1 4706 1 1 1 1 1 1564 3019 1 7303 4674 2494 4822 4829 1775 2930 1 4192 5283 6504 10412 2404 1 6510 8242 1 5771 3942 1 5583 7860 5272 5554 1 4957 7132 8002 11095 9286 5136 4386 2987 6898 5595 6509 10855 7596 6579 4271 188.045 *188.0456* 188.0456@1.965407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2987 1 1 188.0456 *188.046* 188.046@2.4059775 1 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 1 2454 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 1299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1857 1978 1 1 1 1 1 1 1 1 1 188.046 *188.0465* 188.0465@0.81905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9999 9775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0465 *188.048* 188.048@4.151246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2372 1 1 1 1 1 1 1 1 1 1 1 1 1 2953 1 1 1743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.048 *188.0484* 188.0484@4.0142374 1588 1 1 1 1 1 1 1 1 1 1 1 1 3756 3617 1 1 1 1 1 5351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2181 1 1 1149 1 1 1 1 1 1 1 1 1 1 1 1874 1 1 188.0484 *188.0485* 188.0485@3.7460823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0485 *188.0486* 188.0486@3.5257597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0486 *188.0487* 188.0487@3.36774 58388 1 1 1 1 1 1 1 1 1 1 1 141723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37691 70967 60256 61325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0487 *188.0489* 1-Hydroxy-2-naphthoic acid 22461 1 1 91334 142498 1 1 1 1 1 94814 1 18759 1 1 92109 1 1 220176 198955 248021 278559 1 1 1 147676 396987 406790 1 1 37004 58281 138012 127807 113507 1 83253 148727 374411 398289 1 1 1 1 1 1 1 1 107970 1 1 224854 1 102730 99064 1 319363 330996 187967 179136 203898 250046 1 32454 447068 504564 211932 326309 137724 31345 593135 563993 140578 1 123592 1 589782 474732 205077 694599 587923 629459 1 1 663608 659111 559768 620264 576459 488588 188.0489 *188.0493* 188.0493@2.87 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46521 1 1 1 1 1 1 1 1 1 1 188.0493 *188.0538* 188.0538@2.0622044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 13536 13571 1 1 1 1 1 1 1 1 1 1 188.0538 *188.0637* 188.0637@1.9683151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21366 19799 1 1 1 1 1 1 1 1 1 1 188.0637 *188.0648* 188.0648@1.7434605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 9229 1 1 1 1 1 1 1 1 1 1 188.0648 *188.091* 188.091@1.9796841 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.091 *188.0988* 188.0988@1.623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 188.0988 *188.1003* 188.1003@1.9762995 1 1 1580 1 1 1 1 1 1 1051 1 1 1 1 1380 1 1 2036 1 1010 1 1 1 1 1 1 1 1 1 1 1 1 1400 1 1 1 1 1 1 1 1 1 1685 1 1531 1454 1 1633 1 1 1 1506 1 1 1 1441 1 1 1 1 1 1420 1 1 1 1 1 1 1 1 1 1 1350 1 1 1 1 1573 1 1 1173 1602 1 1 1 1 1 1 1 1 188.1003 *188.1023* 188.1023@1.3006672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1217 1209 1 1 1 1 1 1 1 1 1 1 188.1023 *188.1025* 188.1025@1.9789062 1 1473 1 1 1 1 2042 1 1 1 1 1 1795 1021 1 1 1689 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 1577 1 1 1 1 1972 1 1633 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 1350 1 1 1 1 1 1 1 188.1025 *188.1045* 3-Methylsuberic acid 1 1 1 2250 1 1 2017 1903 1 1 1737 1 2215 1 1 1 1 1079 1 1 2739 1788 1 1 1 1 2321 1 1622 1 1 1781 1 1 1 1 1 1 1 1 1 1 1 1 5271 1 1 1 1 1 1151 1 1 2538 2184 1889 1543 1 2412 1 1 1 1 1 2735 1 1 1 2306 2216 2358 1367 1 1 2518 1 1 1 7449 6753 2664 2237 1953 2127 1 1483 2107 1925 1 1 188.1045 *188.1064* 188.1064@1.9822394 1 1 1 1 1 1 1 1 1 1 1 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 1 188.1064 *188.1066* C10 H12 N4 1 4248 3764 4055 3013 4407 6689 6354 4844 1 5681 5695 1 1 2662 1479 6407 6303 5931 3362 7355 1 3757 1 5232 1 7582 8672 1 6041 1 7319 1 1 1 1 1 4594 4034 6031 5235 1 4705 5135 1 1 1 3735 2818 4210 3574 1 6702 1 4998 3983 5358 7640 1 6564 5640 3864 3850 2646 4328 4091 3193 4262 5339 5619 4827 5290 3591 2766 1 3642 4493 3474 21267 21420 6881 7870 4908 1 2844 4254 7448 6918 5240 3936 188.1066 *188.1112* 188.1112@1.1642243 1 1 1 1 1 1 1 1 1 4819 1 1 6110 1 1 1 1 1 1 1 1 7006 4420 6889 1 1 1 1 6118 1 5913 1 1 1 1 4704 4287 1 1 1 1 4776 1 1 1 1 4686 1 1052 1 1764 5108 1 5544 1 1 1 1 1 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 1 188.1112 *188.1173* 188.1173@1.160615 1 1 1 1 1 1 1 1 1 1 1 1 1 6646 1 1 1 1 1 2740 1 1 1 1 2249 1 1 1 1 1 1 1 4686 5213 4438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.1173 *188.1207* 188.1207@1.9782127 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.1207 *188.1249* 188.1249@1.1554127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2605 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 1902 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 1 188.1249 *188.1283* 188.1283@1.9780986 1 1 1 1 1 1 1 1 1 1 1206 1 1 1 1 1 1 1 1 1 1596 1 1 1 1 1 1 1 1 1 1506 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.1283 *188.1285* 188.1285@0.7648676 1 1 1 1 1 1 1 1 1 1 2589 2680 1 1 1 1 1 1246 1 1 1 1 1 1 1 1 1806 1882 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 1932 1 1426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1349 1 2802 4444 1 1 188.1285 *188.1299* 188.1299@1.1582752 1 1 1 1 1 1 1 1 1 1 1 1811 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 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 1 188.1299 *188.1311* 188.1311@1.9784619 1 1 1369 1 2357 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 1478 1 2076 2174 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 2115 1 1 1 1 1 1 1 1 1 1 1 188.1311 *188.137* 188.137@1.9741064 1 1 1 1345 1 1 1 1306 1 1 1 1 1 1 1 1 1 1 1 1 1 1208 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 1267 1 1003 1268 1 1 1 1411 1 1 1 1 1 1 1 1 1 1 1 1 1117 1 1 1 1 2357 1 1 1 1 1 1 1 1 1 1 188.137 *188.1639* 188.1639@3.1348839 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 2007 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 1118 1 1 1 1 1 1 1 1 1 1 1 1 1343 8513 4245 1 1382 1150 3584 1 2729 5863 10545 1 1639 188.1639 *188.1639* 188.1639@3.1191518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 188.1639 *188.1709* 188.1709@0.76195604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 188.1709 *188.2102* 188.2102@3.092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 188.2102 *188.9479* 188.9479@1.0378976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6386 2793 1 1 1 1 1 1 1 1 1 1 1 6298 1 1 1 5568 1 4443 4843 1 1 1 1 1 1 1 1 5689 1 1 1 1 3649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2870 1 1 1 1 1 1 1 1 1 1 1 1 6061 3054 188.9479 *188.9479* 188.9479@2.0066164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45758 1 1 1 1 1 1 1 1 1 1 15473 1 1 1 1 1 1 1 1 12310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20313 1 1 1 1 2988 1 1 1 1 14801 1 1 1 1 1 1 1 1 1 1 1 1 1 17610 1 1 1 1 1 1 188.9479 *188.9479* 188.9479@1.465337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.9479 *188.948* C4 H3 N3 S3 3781 1 1 1 9240 23880 1 8554 1 14779 1 15462 19795 1 1716 16341 1 1 1 5389 5797 1 1 1 1 1 17169 25613 18475 4240 1 4507 3293 1 5330 1 5016 1 3508 15530 1 1 14525 1 1 19534 1 1 6075 1 1 4759 4538 2505 1 1 1 1 4860 5108 10981 1 1 1 21290 10112 7483 6763 1 1 1 1 3036 21820 14887 2502 4840 5355 1 1 21027 20682 1 1 1 24501 4858 3903 27640 17964 188.948 *188.948* 188.948@0.8308285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9781 9185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5852 1 1 1 1 3406 1 1 1 1 1 1 1 1 1 1 1 8874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7243 1 1 1 1 1 1 1 8544 1 188.948 *188.948* 188.948@1.4093357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.948 *188.948* 188.948@4.0816884 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.948 *188.9481* C6 H4 Cl N S2 1 1 18760 1 1 1 10329 16004 20329 16602 16821 14689 12426 13619 3709 1 18146 15088 20112 15107 6693 1 1 10477 18832 15821 21788 14398 1 12217 14069 11578 16722 9815 1 15242 11718 19355 20179 21587 16533 1 1 1 1 1 1 15897 19876 1 5218 1 17514 17364 1 15740 12831 1 18732 10211 16617 19458 1 16502 1 17624 14248 18829 9908 13682 1 12056 17752 18072 12241 12475 11877 11230 9672 8722 21468 15692 12449 15659 17602 1 7776 7789 15771 15901 188.9481 *188.9481* 188.9481@0.8001011 1 1 10047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8538 1 1 1 1 1 1 1 1 4833 1 14493 1 1 10436 1 1 1 1 1 1 1 1 1 1 1 1 1 3239 9544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.9481 *188.9481* 188.9481@3.424355 4191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18601 1 1 1 1 1 1 1 2197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.9481 *188.9481* 188.9481@1.9513308 1 3407 1 1 1 1 1 1 1 39618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23559 1 1 1 44317 1 1 1 1 1 1 1 1 1 24510 1 1 1 1 1 1 188.9481 *188.9482* 188.9482@1.3118438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10752 1 1 1 1 15922 1 1 1 1 1 1 1 1 1 1 1 22115 1 1 20826 1 1 1 22107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12425 1 1 1 1 1 1 1 1 1 1 1 1 8322 1 1 22007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.9482 *188.9482* 188.9482@2.9557586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3379 1 1 1 1 29601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.9482 *188.9483* 188.9483@2.9948344 20628 1 1 1 13517 1 1 1 1 1 1 1 1 1 3138 1 1 40459 1 29858 1 1 21889 1 1 1 1 30962 1 1 1 1 12434 1 22178 1 1 23373 11136 1 1 1 1 1 1 1 1 9387 1 1 1 1 7841 4011 3751 17566 1 41155 39880 21366 1 1 1 1 25070 1 1 40585 1 1 9654 15128 13756 1 1 1 1 1 1 2591 1 1 1 1 1 14209 1 1595 28787 1 188.9483 *188.9483* C6 H4 Cl N S2 - 0.9364052 1 1 6316 4880 1 1 1 8939 10975 1 10488 11718 1 11872 1 1 9803 1 11146 5189 4382 1 5103 6898 7196 6265 1 1 5737 6002 1 6240 9760 3977 6405 6198 8131 11196 7758 2481 12294 5615 6977 4046 4768 5715 7560 6925 7714 6812 4791 7440 6848 7412 1 1 1 5488 7665 7417 1 1 1 7989 6361 7765 1 4092 9586 8045 4905 1 6749 1 1 6538 1 1 1 1 7843 1 4412 9780 8184 1 7896 7357 3066 6872 188.9483 *188.9483* 188.9483@4.01938 1478 1 1 1 1 1 1 1 2098 1 1 1 1 1 1400 1 1 1 1 1227 1 1 1 1 1 1 1 1 1 1 1 1 1549 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 2227 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 1 188.9483 *188.9483* 188.9483@1.5373383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 188.9483 *188.9484* 188.9484@1.6209314 5189 1 1 1 1 1 1 1 1 1 1 1 1 4056 8636 1 1 1 1 1 8539 1 1 1 1 1 1 1 13383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11220 6050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10475 1 1 9570 1 1 1 1 1 1 1 1 1 1 1 4608 1 1 188.9484 *189.0101* 189.0101@0.8077952 5485 5673 1 1 1 1 3252 1 1 4153 2957 1 3367 3032 1 1 1 1 1 1 1 1 1 1893 1 13360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8530 1 1 1 1 7113 1 1 11878 1 1 1 4989 15528 1 1 14223 13953 1 1 1 1 8604 1 12809 1 1 1 1253 1 1157 7144 1 1 31785 30978 11127 10920 1 1301 1 1 10519 1 1 1 1 3232 1 6464 189.0101 *189.0248* 189.0248@1.9698206 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0248 *189.033* 189.033@1.084892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 189.033 *189.0515* 189.0515@3.3247988 1 1 1 1 1 1 1 1 1 1 1 1488 1 1 2961 1 4796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3706 1 1 1 1 1 1996 1 1 11378 1 3455 1 1 1 1 1 8598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5431 1 1 1 1 1 1 2733 1259 1 1 1 1 1 1 1 1 1 1 1 2104 1 1 189.0515 *189.0516* 189.0516@3.6056943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2165 1 1 189.0516 *189.0518* 189.0518@3.2191546 1 1 1 1 1 1 1 1 1 1 1 2485 1 1 2896 1 1 1 1 6937 7153 1 9881 2140 1 2336 1 1 1 1 1 1 5007 1 1 1 1 1 7591 1 1 1 5052 3801 1 1 1 1 1 1 1 4820 1 1 5208 3264 1 6070 2432 1 1699 1 1959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4871 1 1 189.0518 *189.0585* 189.0585@2.5176988 1 1 1 1 1 1 1 1 1 1090 1 1 1899 1 1 1 1 1 1 1770 1 1 1752 1964 1 1 1 1 1 1 1 1 1709 1471 1 1 2470 1448 2070 2059 1 1902 1584 1 1462 1 1675 1 1 1433 1 1 1 1447 1 1 1 1 1 1715 1886 1 1382 1893 1 1 1 1263 1468 1 2063 2622 1 1 1 1 1 1 1598 2337 1914 2284 1 1 2257 1 1 1 2152 1 189.0585 *189.0588* 189.0588@2.0599701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4821 1 1 1 1 1 1 1 1 1 189.0588 *189.0676* 189.0676@1.9650435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11706 1 1 1 1 1 1 1 1 1 1 189.0676 *189.07* 189.07@1.683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9021 1 1 1 1 1 1 1 1 1 1 189.07 *189.0779* 189.0779@1.0799931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0779 *189.0893* 189.0893@3.673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 189.0893 *189.0911* 189.0911@3.5837708 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 1 1 1 1 1 1 1 1 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 1 189.0911 *189.0966* 189.0966@3.6686096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 189.0966 *189.0984* 189.0984@2.4594533 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0984 *189.9494* 189.9494@3.0472515 1 2169 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 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 2422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.9494 *189.9497* 189.9497@1.3486838 1 1 1 1 1 1 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 1046 1 1 1 1 1 1 1 1 1 1 1972 1 1 1 1 1 1 1 1 1 1 1 1 1634 1 1 1 1344 1380 1 2973 2606 1 1 1 1 1 1 189.9497 *189.9503* 189.9503@0.67344356 1 1 1128 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.9503 *189.9538* 189.9538@3.1279924 1 1 1 1 1 7386 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 3250 3824 1 1 1 1 1 5984 7097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5108 1 7764 1 1 1 1 4811 1 1 3950 4291 8646 1 1 10583 1 1944 1 1 1 1 1914 1 1 189.9538 *189.9539* C9 H2 O S2 2294 1 3014 2697 3008 3135 8459 7045 1 1897 1991 3144 2178 2692 1 1 4084 3938 1952 2445 7406 5117 1 2379 3652 2790 1 3357 1 2187 2682 1 2921 2959 2729 2286 2235 2814 2722 2883 5841 6039 2989 3098 2871 1 1 2607 2866 3384 5197 3137 3886 1 3764 1683 1 2454 5504 5053 5857 1 4341 4924 3933 4796 6366 5238 2994 1580 2445 3602 1 1 3947 1 3593 3524 1 1 4237 4018 4225 3967 4012 3219 3070 3015 8620 6073 189.9539 *189.9539* 189.9539@3.327213 8422 1 1 1 1 1 1 1 1 1 1 1 1 1 1724 1 1 1 1 1 1664 1 1 1 1 1 1 1 1 1 1 1 4040 1 1 1 1 1 1015 6710 1 1 1 1 1 1 1 1 1 2704 1 1 1 1 1 1 1 1 1 1 1 1 1 5068 1 3527 1 7365 1 1 2547 1 1 1 1 1374 1 1 1 1 1 1 1 1 1 1 1 1298 1 3006 189.9539 *189.9539* 189.9539@3.2122197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.9539 *189.9545* 189.9545@3.6300604 2619 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 2189 1 1 1 1 1 1997 1 1 1 1 1 1 1 1 1 1 1 1810 1 1 4218 1 1 1 1 1 1 1 1 1 1 1 4215 1 1 1 1 1 2034 2431 1 1 1 1 3202 1 1 1 1 1 1 1264 1 1 2907 1 1 189.9545 *189.955* 189.955@0.66883165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 189.955 *189.9925* 189.9925@0.70928705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.9925 *189.9933* Pyrocatechol sulfate 14986 13467 24030 23730 31881 33694 30555 16210 22423 20591 124971 124536 64985 61798 14409 20913 14359 13408 56427 57914 54890 55838 5820 6009 9804 20255 47777 44717 15164 15431 15954 16926 12080 12959 31271 30728 9071 8397 18159 17038 47587 47307 18274 17886 21395 22068 58114 57231 12973 11669 25128 34642 93772 87022 1 1 19841 18863 5154 10394 98706 99426 24430 23135 94726 101045 33244 15731 107595 103071 61336 61325 27532 27740 50051 68091 37782 38593 35988 34812 34927 34954 27249 21393 85604 95116 68829 35476 10986 11066 189.9933 *189.9993* 189.9993@0.7519875 1 1 1 1 1 1 1 15870 1 1 1 1 1 1 7337 1 13350 14072 1 1 1 1 1 1 9673 1 1 1 1 1 1 1 16867 16333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10216 1 1 1 11479 11804 1 1 5199 1 1 1 1 1 1 1 1 18473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5395 1 1 1 30084 8529 8189 189.9993 *190.0083* 190.0083@1.8576194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 190.0083 *190.0132* 190.0132@1.8842311 1 1 2040 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 1 1 1 1 1 1 1 1 1 1 1702 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 190.0132 *190.0147* 190.0147@1.8981848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 190.0147 *190.0196* 190.0196@1.9533632 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0196 *190.0352* 190.0352@1.9738626 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 2833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0352 *190.0426* 190.0426@1.9677953 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0426 *190.0429* 190.0429@2.509571 1 1 1604 1 1 1 2080 2334 1 1 1704 1873 1 1575 1555 1 1 2054 2727 2944 1 1732 2688 2708 1 1 1 1 1714 2193 1889 2020 1 1 2289 2587 3809 3947 2637 2579 3406 3418 1 2180 2045 1878 2987 2934 2086 1961 4349 3794 1 3880 1788 2048 1 1640 3882 3811 5543 5825 4588 4252 2748 2315 1 1920 2906 2586 6429 6884 1 1 1 1947 1 1 1 1 4807 5036 3547 1 6955 1 4235 3909 5623 1 190.0429 *190.045* 190.045@2.5066016 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 1 1 1 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 2245 1 1 1 4058 3130 1 1 1 1 1 1 1 1 1 1 190.045 *190.0455* 190.0455@1.3460606 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0455 *190.0469* 3-Dehydroquinic acid 1329 1 1116 1202 1695 1626 1 1 1364 1220 1 1107 1 1397 1 1 1 1 1103 1562 1983 1110 4266 2142 1 1 1 1 1 1 2919 2620 1 1 1492 1549 2405 1718 2150 1619 1473 1016 1079 1061 1 1 1 1 1 1 1 1052 2998 3203 1 1 1214 1184 1626 1 1 2080 1042 1 1317 1 1 1 1 3000 1455 1813 1 1 1 2385 1194 1 1 1 1766 1687 2535 2061 3066 1519 1 3022 1127 1 C00944 190.0469 *190.0469* 190.0469@3.0132995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5778 1 1 1 1 1 1 1 1 1 1 1 5412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0469 *190.0473* 190.0473@3.1231492 1 1 101497 1 82581 1 98596 1 1 1 82340 88865 73121 1 67550 62920 54324 52879 1 1 75228 77284 113547 1 99004 97966 1 1 1 1 119431 123649 93206 98072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 77064 72732 1 125429 1 1 89848 90919 1 1 1 1 129203 1 1 1 1152 1 90541 94507 110286 1 1 1 77238 76412 1 5313 1 1 1 1 1 1 1 109206 1 1 1 1 1 1 190.0473 *190.048* 190.048@1.2009392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1187 1 1658 1921 1 1 1 1 1 1 1218 1079 1 1 1745 1 1789 1 1377 1 1 1 1 1 1 1 1 1 1 1 1 1 1446 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 1966 1 1 1 1643 1 1 1 1 1 190.048 *190.048* 190.048@3.2689297 1 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 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 1816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.048 *190.0482* 190.0482@1.9698206 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0482 *190.0548* 190.0548@1.9730977 1 1 1 1 3878 1 1 1 1784 1886 1 1 1 1 1 2714 1108 1 1 1 1815 1 1 1 1 1 1 1 1 1 1 1483 1 1 1 1 1782 3718 1 1504 1 1 3555 1 2323 1 1 1 1 1 1 2292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0548 *190.0592* 190.0592@2.9503398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6661 1 1 1 1 1 1 1 1 1 1 1 190.0592 *190.0605* 190.0605@1.9811561 1 1 1 1 1 1 1 1884 1 1 1 1 1 1 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 1821 4432 1 1 1 1 1 1 1 2702 1 1 1 5408 1 1 1 1 1 1 1 1 3064 1 1 1 1 1 1 1 1 1 1 1 4528 1 1981 1 1 1 5125 190.0605 *190.0613* 7-Ethoxycoumarin 2805 1 1 1 1 1 4163 1 1 1 1 1 1 1 2838 2510 1 1 1 1 2255 1618 1912 1 1975 1 1611 1 1870 1 1 1 1 1 1 4359 1930 1 1 2007 4440 2029 1 1 1 1 1 3180 1 2740 3403 1 2704 2903 10559 2076 5157 1 1756 2503 8356 8402 2131 5102 2458 2626 3015 1 2231 2008 3777 3979 1 1 1604 1804 20228 2447 26448 1 3768 4960 1891 2781 6645 1 2401 2256 2513 2532 C11052 190.0613 *190.0636* 190.0636@1.9887872 1 1 1 1 1 1 1 7503 1 1 1 3863 1 1 1 1 1 3349 1 1 1 1961 1 1 1 1 1 1 1 1 1 1 1 1 4168 1 1 1 1 1 1 1 1 1 1 1 2735 1 23210 1 1 3482 5463 5646 33188 3255 1 1083 1 1 24186 25611 1 7834 7707 7339 2998 15732 2184 4877 4383 1 1 2033 3573 1 1933 7130 22852 30089 2725 33701 1 1 1 8748 2818 3095 13053 1 190.0636 *190.0639* 190.0639@4.032816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4323 3781 1 1 1 1 1 1 1 1 1 1 190.0639 *190.0644* 190.0644@1.7094998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10183 12200 1 1 1 1 1 1 1 1 1 1 190.0644 *190.0656* 190.0656@1.6095693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2335 1 1 1 1 1 1 1 1 1 1 190.0656 *190.0788* 190.0788@2.411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3556 1 1 1 1 1 1 1 1 1 1 190.0788 *190.082* 190.082@2.226292 1 1 1 1 1 1 1457 1656 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 1727 1442 1 1 1 1 1 1492 1 1 1 1 1 1 1 1 1 1 13492 12873 1 1 1 1 1 1 1 1 1 1 190.082 *190.0833* 190.0833@1.2855673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9496 9780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0833 *190.1176* 190.1176@1.5978178 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7594 7450 1 1 1 1 1 1 1 1 1 1 190.1176 *191.0063* 191.0063@0.71725255 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.0063 *191.0323* 191.0323@0.74526787 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 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 1 191.0323 *191.0414* 191.0414@1.2962874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13675 13822 1 1 1 1 1 1 1 1 1 1 191.0414 *191.0457* 191.0457@3.0735703 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 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 1049 1 1 1 1 1393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2009 1 1 191.0457 *191.051* 191.051@2.0556757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.051 *191.0536* 191.0536@2.0166574 1 1 1 1 1 1 1878 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 2483 1853 1 1536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2111 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 2169 2823 1 1 2155 1 191.0536 *191.0561* 191.0561@1.170184 1045 1 1032 1 1 1 2079 1989 1 1291 1877 1441 1 1 1249 1253 1 1 1892 1851 1 1 1748 1651 1 1 1 1 1 1 1 1 1263 1039 1515 1866 1 2635 1 1 3059 1 1 1 1 1 1360 1258 1 1 1 1 1 1110 1 1 1 1 1 2574 2552 2528 1 1 1425 1340 1074 1 1 1 1640 1509 1006 1450 1 1 1 1289 1542 1339 3103 1 1643 1366 1 1 1 1 2320 1501 191.0561 *191.0594* 5-Hydroxyindoleacetic acid 1 1 1 1 1 2836 5500 5898 1 1 6112 5820 3257 4243 4059 3684 4669 5244 5398 4425 3388 4186 5686 6482 1 1 1 1 3493 3583 4976 4911 5851 6187 1826 3323 9992 10736 5785 5938 14798 14965 3155 3288 1 2723 5051 4846 5613 4460 4044 1988 4481 3347 2670 2429 1 1 4759 4284 5405 6773 4590 2014 2462 4478 5383 4855 3123 3540 12536 13097 4211 3903 1 1 2600 4566 3210 3547 7087 5330 5520 5396 6182 7007 3248 1 7196 6043 HMDB00763 C05635 191.0594 *191.0597* 5-Hydroxyindoleacetic acid - 1.9673504 1 1 1 1 1 1 7225 9392 1 1 1 1 1 1 1 1 1 1 1 1272 1 1 1 1734 1 1 2102 2092 1601 1155 1 1 1 1 1 1 2718 1 1 1 1 1075 1 1 1 1 1 1 2266 1808 2509 2793 1119 1 2209 1584 1 1 1 1 1202 2389 1 1 1533 1501 2524 2595 1 1 1649 1 1 1 1 1 1 1326 1 1 2490 2108 2551 3978 1794 1704 3012 2403 2966 2563 HMDB00763 C05635 191.0597 *191.0602* 191.0602@3.7343814 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.0602 *191.071* 191.071@1.83 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 191.071 *191.0775* 191.0775@1.8358209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 191.0775 *191.0835* 191.0835@1.6450474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97648 98966 1 1 1 1 1 1 1 1 1 1 191.0835 *191.1067* 191.1067@1.0703641 1 1 1 1 1 1 1 1 1 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 2440 1008 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 1095 1258 1 1 1 1 1 1 1 1 1 1 191.1067 *191.9252* 191.9252@0.90706617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 191.9252 *191.9344* 191.9344@1.1041201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2227 1 191.9344 *191.9345* 191.9345@1.1472532 1 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 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 1915 1 1137 1883 1097 1 1565 1 2503 1 2151 1551 1 1418 1464 191.9345 *191.9764* 191.9764@1.6410503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21729 18841 1 1 1 1 1 1 1 1 1 1 191.9764 *192.0015* 192.0015@0.72187763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4322 4475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6519 1 1 1 1 1 10457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6988 10099 1 1 1 1 1 1 1 1 10543 1 1 1 1 1 192.0015 *192.0057* 192.0057@1.6356997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 192.0057 *192.0059* C9 H4 O5 1 5804 1 17480 9280 7111 4426 18276 15495 17447 1 1 1 19615 16438 15397 16393 1801 19984 17992 1 1 1 11220 17897 5876 6972 1 1 17825 14134 14962 20220 12458 16170 18788 14662 13371 14582 16158 1 6323 1 15129 14442 1 15243 9067 12712 3656 15755 17626 8789 1 11349 16197 1 3626 13836 10915 1 1 17224 1 9950 12410 4344 9741 8018 9089 17880 18408 14825 16222 9084 7306 14446 14995 3871 8488 17904 18716 8111 16673 1 1 1 18191 16849 4000 192.0059 *192.0071* 192.0071@0.7940582 1 1 1 1 6833 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 3938 1 1 1 1 1 1 1 1 1 3103 1 1 1 1 1 1 3445 1 1 1 1587 2446 1 1 1 1 2698 1 3042 2081 1 1 1 1 1 3227 3060 1 1 2111 1 1 1 1 4256 1 1 1 1 1 1 1 192.0071 *192.0091* 192.0091@1.2760746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1701 1 1 1 1305 1 1 1 1 1 1 1573 2471 1 1 1 2896 1 1 1 1 1 2271 1 1 1 1 1 1 2488 1 1 1 1 1 1 1 1 2331 192.0091 *192.0107* 192.0107@3.0651689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 192.0107 *192.0117* 192.0117@0.9606116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 192.0117 *192.0121* 192.0121@1.114645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1615 192.0121 *192.013* 192.013@1.9888184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1802 1 1 1 1 1 1 1 1 1 1 1 192.013 *192.015* 192.015@3.039 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 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 1 192.015 *192.0158* 192.0158@2.0199366 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 1 3143 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 1 192.0158 *192.0179* 192.0179@1.3803349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 192.0179 *192.02* 192.02@1.6457161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3465 3078 1 1 1 1 1 4954 1 1 1 1 1 1 4380 3976 192.02 *192.0212* 192.0212@2.0776417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0212 *192.0247* 192.0247@1.6226796 1 1 1 1 1 1 5319 1 1 1 1 1 1 1 5058 1 1 1 1 1 8273 1 1 19189 1 1 1 1 1 5808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8148 6728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5454 1 1 1 1 1 1 1 1 3998 1 1 1 1 1 1 1 192.0247 *192.0252* 192.0252@1.6408834 1 1 1 1 15889 12849 1 1 1 17898 13681 10836 14511 14798 8901 1 1 1 19077 20696 1 8125 1 1 18188 13791 1 1 7206 8185 1 1 22175 1 1 1 10352 1 22427 1 1 1 1 20810 1 22175 1 8346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8186 13003 1 1 1 1 1 1 1 1 1 1 13541 17925 1 1 1 1 1 1 20155 18584 15077 1 1 1 192.0252 *192.0253* 192.0253@1.4333946 2560 1 4073 6115 1 1 1 1 1 1 1 1 1 1 3394 1 1 1 1 6214 1 1 1 1 4449 1 1 1 1 5089 1 1 3382 1 1 1 1 1 9970 1 1 1 1 1 1 1 1 1 2327 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 5400 1 1 1 1 1 1 1 1 12515 1 2041 1 1 192.0253 *192.0255* threo-Isocitric acid 40749 41717 28168 64469 59052 1 20914 19699 59233 50370 56321 75651 46830 57896 41674 28061 1 1 67615 69374 23611 23529 40260 40632 37714 35153 69161 77557 29704 31598 67172 63610 55057 69212 42398 49043 38768 31644 77247 64989 1 1 64337 7363 63114 65837 29450 30044 10245 10397 1 1 18552 16091 1 1 62672 9740 1 1 1 1 1 1 23290 5171 1 1 11273 61106 9787 1 15361 16295 12601 4483 37243 43130 1 1 6145 7185 6722 3963 36241 73859 42456 44663 6262 6927 HMDB01874 192.0255 *192.0256* 192.0256@2.1010065 5707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12624 1 1 1 1 4737 1 1 1 9806 1 1 7677 1 1 1 1 18779 1 1 1 1 11932 1 9630 1 1 1 56471 1 1 1 1 1 1067 1 1 1 1156 1 1 1 46221 1 1 1 1 1 1 1 1 1 1 53067 1 1 1 1549 1 1 3638 1 1 1 1 1591 1 1 4397 19226 1 1 1 1 1 192.0256 *192.0258* 2,3-Dioxogulonic acid 15323 12557 23752 25065 20855 24966 5016 6221 28456 11131 18522 1 1 24926 1 9630 1 1 24156 27417 11479 9007 19617 3472 1 1 18556 24439 1 10734 1 11630 3640 10937 15786 14630 1 1 10430 11168 1 1 28488 22499 1 13709 5482 4736 1 1 1 1 1 1157 1 1 21707 21439 1 1 1 1 1 1 1 1550 1 1 22936 1 1 1 2769 1 1 1 4890 5137 1 1 1 1 1 1 8222 9616 2712 2983 1 1 192.0258 *192.026* 192.026@3.029751 1405 1 1 1 1 1 3450 1444 1 1 1 1 1 1 1 4286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3560 1 1 1 1 1 1 16711 16439 1 1 1 1 1 1 2381 1 1 1 1 1 3345 5174 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 6219 2077 1307 1 1 192.026 *192.0262* 192.0262@2.3518274 1 1 1 1 1 1 1 1 1 1 1 1 1 6225 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0262 *192.0267* 192.0267@3.06043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0267 *192.0312* 192.0312@1.9527406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 192.0312 *192.0349* 192.0349@3.1201382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 192.0349 *192.0414* 192.0414@3.0990808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2737 1 1 1 1 1 1 1 1 1 1 1 192.0414 *192.0425* 192.0425@1.9664668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0425 *192.0501* 192.0501@1.9645383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2641 3117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3907 1 1 1 1 1 1 4812 1 1 1 1 1 5006 1 1 1 2654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4536 3980 192.0501 *192.0538* 192.0538@1.9597563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3547 1 1 1 1 1 1 1 1 1 6995 8046 1 1 1 1 1 1 1 4279 5080 5579 2068 1879 1 1 8009 6703 1 1 1 1 1 1 1 1 1 1 1 1 4593 4801 1 6894 1 1 1 1 1 1 192.0538 *192.0726* 192.0726@1.964318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29028 28810 1 1 1 1 1 1 1 1 1 1 192.0726 *192.0736* 192.0736@1.6494566 1 1 1 15829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0736 *192.0747* 192.0747@1.5855812 1 1 110782 107547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0747 *192.076* 192.076@1.4033269 1 1 464968 464178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.076 *192.0787* 192.0787@1.8354089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3711 1 1 1 1 1 1 1 1 1 1 192.0787 *192.0804* 192.0804@1.6462296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 552059 549538 1 1 1 1 1 1 1 1 1 1000 192.0804 *192.1133* 192.1133@1.2576138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4256 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 1 192.1133 *192.1134* 192.1134@1.0611867 1 1 1 1002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1640 1529 1 1 1 1 1 1 1 1 1584 1343 1 1095 1 1 1 1 1176 1 1 1310 1 1011 1 1 1405 1457 1 1 1 1 1 1 5672 2800 1 1 1 1 1 1124 1 1 1 1 1 1 1 1 1346 1 1 1 1 1 1 1 1153 1005 1 1268 1893 1768 1804 1332 1 1 1206 2488 1 1 192.1134 *192.1916* 192.1916@1.4028254 1 1 7180 8397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.1916 *192.1947* 192.1947@1.6485447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9506 10031 1 1 1 1 1 1 1 1 1 1 192.1947 *192.2397* 192.2397@1.4028254 1 1 2305 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 1 1 1 1 1 1 1 1 1 1 1 192.2397 *192.8228* 192.8228@2.2430217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.8228 *192.8231* 192.8231@2.1504142 22517 1 13372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17410 1 30074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20901 1 1 1 1 1 1 1 1 1 32058 1 1 1 1 1 1 1 1 1 1 1 1 20569 1 1 1 1 36794 1 1 1 14851 1 1 1 25830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46344 1 192.8231 *192.8235* 192.8235@2.9462843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20824 19327 1 20772 1 1 1 1 1 1 1 192.8235 *192.9359* 192.9359@3.0669293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.9359 *193.0204* 193.0204@3.0794508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 193.0204 *193.033* 193.033@2.005856 1 1 1 1 2718 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 2378 1160 1 1724 1 2068 1 3499 1 1 1 1 1 2811 1 1 1 1 1 1 1 1 1 1 1 2404 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 1 193.033 *193.0333* 193.0333@2.109161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 193.0333 *193.0734* 193.0734@3.2085385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124069 126212 1 1 1 1 1 1 1 1 1 1 193.0734 *194.0049* 194.0049@3.1857831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1408 1 1 1 1 1 2145 1 1 1 1 1 1137 1533 194.0049 *194.0052* 194.0052@1.9734558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2711 1 1 1 1 1 1 1380 1522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.0052 *194.0057* Dihydroxyfumarate 1 1 1 1 1 1 1812 1 1 1 1 1 1 1 1 1 1 1746 1 1 1 2539 1 1 1 1 3716 1219 1 1 1 2306 1 1 1 1 1 1 1 1 1 1 4611 1 1 1 1 1 1 1 2407 4589 1 1 1 1843 1 3310 3407 1 3177 1 1 1 6034 6890 4908 3293 1 1 3823 1 1 1 1349 3183 1028 1 12180 20504 4265 12143 6451 5027 2434 6928 7364 1363 15308 7726 HMDB02050 C00975 194.0057 *194.0057* 194.0057@3.1558607 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 3704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4622 1 1 1 1 1 1 1 1 1 1 2439 1 1 1 1 1 3601 2149 1 1 1 2828 2628 4323 194.0057 *194.0072* 194.0072@2.4219832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 194.0072 *194.0092* 2'-Deoxyuridine 5'-diphosphate (dUDP) 1 1 1 1 1681 1 2349 1 1 1 1 1 1 1 1 1 1 1764 1 1 7094 2290 1234 1 2714 5222 1 3318 15112 1 1 1 1 1 1 1 1 1 1 1 2823 2202 1 1 1 1 1984 1 7641 8377 4849 5456 1 1 3181 4489 1 1 2707 1 2584 2413 1 1 4371 4949 1 18844 1 1 4355 1 3165 3136 1 1 3736 4841 5365 7092 5162 5561 5378 3126 2289 4718 2823 3248 1961 4825 C01346 194.0092 *194.0106* 194.0106@3.100182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 194.0106 *194.0127* 194.0127@2.3113947 1 1 1 1 1 1 1 1 1 2031 1 1 1 1 1 1 1 1413 1 1 1 1 1 1 1 1 1 2030 1 1 1 1 1 1 1 1 1 1 1 1 1417 1 1 1 1 1 1 1 1 1 1 1 1 1952 1 1 1 1 1 1 1 2004 1 1 1 1 1 1 1 1 1 3566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2075 1862 1 1 194.0127 *194.0145* 194.0145@1.9774259 1 1 1 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 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 1 194.0145 *194.023* 194.023@2.498881 1 1 1592 1 1 1 1 1 1385 1 1 1 1514 1 1 1 1 1 2442 2771 1 1 1 1 1 1 1 1 1 1776 1 1 1 1 1 1 1 1 1 1702 1754 1953 1 1 1 1 1 1 1694 1945 1588 1972 1980 1 1 1985 1 1 2287 2032 2190 2352 1 1 1 1734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1901 1816 1 1 1848 2511 2203 3128 194.023 *194.0292* 194.0292@1.9692527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 194.0292 *194.0567* 194.0567@1.964636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5232 1 1 1 1 1 1 1 1 1 1 1 194.0567 *194.0685* 194.0685@3.1511316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4757 1 1 1 1 1 1 1 1 1 1 1 194.0685 *194.1058* 194.1058@4.247637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1281 194.1058 *194.1289* 194.1289@1.153897 1 1 1 1 1 1 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 1357 1 1 1 1122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 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 1 194.1289 *194.8203* 194.8203@2.8879743 1 1 1 9987 1 1 9000 1 9489 1 1 1 1 1 1 1 1 9225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9120 1 1 1 1 1 1 1 1 1 1 1 1 10198 9830 1 1 1 1 17104 1 11492 1 1 1 1 1 1 16167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15113 1 1 1 1 1 1 18269 1 16491 13006 12644 10353 194.8203 *194.8203* 194.8203@2.1976516 1 29182 1 1 1 1 1 1 1 1 1 1 24205 1 18822 24425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14918 1 1 1 1 1 11479 1 1 1 1 1 27631 25431 1 27367 1 1 1 1 7148 1 1 1 1 33023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10878 1 1 16192 1 12117 1 1 1 1 1 1 1 1 1 1 1 1 194.8203 *195.0199* 195.0199@1.0490105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 195.0199 *195.022* 195.022@1.2869761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1965 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 3341 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 1 1 1 1 195.022 *195.0481* 195.0481@3.63 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 195.0481 *195.0514* 195.0514@2.082299 1 1 1 1 1 1 1 1 1 1 5866 6247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3487 2731 1 1 1 1 1 1 3210 1 1 1 2661 2308 3162 3298 1679 1 1 1 4856 4615 1 1 1 1 1 3497 1 1 1 1 1 1 5468 5076 1 1 1 1 1 1 1 1617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16121 16857 1 1 195.0514 *195.0534* 195.0534@2.9246843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1045 1 1 1 1 1 1 1 1 1 1 195.0534 *195.0846* 195.0846@1.0381728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 195.0846 *195.089* O-BENZYL-l-SERINE 1 1 2496 2558 1 1402 1060 1 1536 1597 1454 1020 4324 4441 2007 1939 1 1 5044 4912 1565 1728 1 1 1257 1184 1 1 6536 6599 2112 2134 1 1 1139 1158 1187 1356 1 1004 1281 1582 1 1 2203 1963 1 1 1393 1247 3269 3093 5951 6280 1 1 1 1 1 1 1 1 1 1 1452 1 1 1 2337 2137 1 1239 1 1 1 1 1539 1491 1 1048 2158 2394 2211 2150 1 1 1511 1 1 1 195.089 *195.9123* 195.9123@0.6667701 2617 1 2355 5906 3377 6374 1269 5525 6890 1929 1 3807 5378 5807 6995 6202 5490 1403 7052 1 2551 1 1 5055 7764 5650 3714 1 1 4559 5200 1 4948 6959 1 5918 5773 4709 1 5641 4412 5099 1 6278 5518 1 6468 1 6656 3889 7060 6777 1 1 3564 8149 3109 5532 6267 4182 8203 1 1 5054 5404 6264 6018 6892 1 4520 5992 1 6036 6473 2891 5958 5755 3658 1 4996 6720 7326 7736 5622 6298 6164 5854 5299 5476 6072 195.9123 *195.9124* 195.9124@1.1713165 1 1 2186 3047 2929 1 2889 2835 1550 1 2984 1592 1 1 2449 3094 6214 2661 3027 1 1 3077 3156 2103 1 1 1 1 1 1 1 1 1374 1724 1 1 1 1 1 1 1 1 1 2545 1 1 1 1 1 1 1 4808 1 1 1 1 1 1 1 1990 1 1 1 1 1 1 1 1 1 1 1587 1 1 1 1 1 1 1 1 1 1 1 3348 1 1 1 1 1 3003 1 195.9124 *195.9124* 195.9124@3.8972611 1896 1 1 1 5158 1 1 1 1607 1 1421 1 1 1249 5320 1 1 1 1 1 3774 5878 1 1 6950 1 1 1 1 3522 2644 1 1 1 1 1 1 1 5624 1 1 1 1 1 2962 1 1 1 4900 1 1 1 3682 2518 1 3731 1 1 1 5034 4530 1 1 1 1 1 1 5976 1 1 1 1 2564 3777 1 1940 2621 1 1 1 2149 1 1 1 1 2884 1 1 1 2963 195.9124 *195.9124* 195.9124@3.8930542 1 1 1 1 1 1 1 1 1 1 1 1 1 2324 1 1 1 1 1 1 3351 1 1 1 1 1 1 1 1 1460 2216 1 1 1 1 1 1 1 2737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4523 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 1 1 1 1 1 1 1 1 1 1584 195.9124 *195.9125* 195.9125@5.957233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1627 1 195.9125 *195.9126* C4 H4 O S4 17339 17711 12160 9305 14325 13891 12264 15003 16885 16468 12337 13505 13231 15358 14858 13785 16197 14373 12169 12724 13866 16018 14295 13130 15317 14452 12612 12068 15387 11475 10424 9713 11322 12472 14112 12792 11248 13522 10750 11524 12368 15677 12790 12585 9783 9659 14904 11988 11970 12840 15659 10355 15918 14635 17035 14274 11231 11635 14952 15210 13318 13281 12299 12694 13026 10245 11885 12709 9843 9595 10759 16043 12307 12082 12796 13535 11029 9710 8232 8796 10100 9109 6968 11474 10335 9324 9867 8741 10734 9908 195.9126 *195.9126* 195.9126@5.9951143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1718 1 1 195.9126 *195.9126* 195.9126@2.913249 9049 5587 7629 6036 6797 7115 1 4614 9386 5957 4631 5149 6201 6825 5821 8503 9938 6130 7956 2203 6530 5549 5946 6852 5084 6500 3077 1 1 1 4894 2964 7534 7449 8451 4956 6338 4926 6925 7474 5330 5693 7928 6330 5088 1 3145 3065 2114 7981 4927 14253 12109 11578 1 10889 10082 5010 12481 14010 1443 12075 8311 5800 8679 9015 8658 2513 6713 7236 7717 8636 6068 5761 11977 12560 7446 4226 1 1 8030 6381 6899 1865 2446 7030 1587 1 1 5442 195.9126 *195.9126* 195.9126@3.609356 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 1 2446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.9126 *195.9127* 195.9127@2.9218957 1 1 1 1 1 1063 1 1 1 1 1452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1885 1 1 1 1 1 5813 1 1 1 1 1 1118 1 1 1 1 1 1 1 1 1 1 1 1 7667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.9127 *195.9128* 195.9128@6.2927575 1 1 1 1 1 1 1 1 1 1 1 1 1 2654 1 1 1 1 1 3236 3826 1 1 1 1 1 1 1 1 1 1 1 2634 1 1 1 1 1 1327 1 1 1 1 1 1 1 1 1 3143 1 1 1 3310 1442 1 1 1 1 1 1 1 3493 1 1 1 1 1 1 1 1 1 1 1 4298 4590 1 1 1 1 1 1 1 1 1 1 1 4506 2082 1 1 195.9128 *195.9128* 195.9128@6.5362773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1551 3053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4778 1 1 195.9128 *195.9128* 195.9128@0.83773583 2299 1 1 1 1 1 1 1 1 1069 1 1 1 1 3623 1613 1 1 1 1 1 1 1982 2343 1 1 1 1 1 1 1 1 1 1557 1 3206 1 1 1 2000 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 2437 1 1 1 1 1 1 1 1 1 1 1 1 1072 1 1 1 1 1 1 195.9128 *195.9129* 195.9129@6.8513227 1 1 1 1 1 1 1 1 3960 1 1 1 1 6978 3498 1 1 1 1 2311 2956 1 1 5757 1 1 1 1 1 1 1 1 3364 1 1 1 1 1 4359 1 4125 1 1 1 1 1 1 1 1 1 1 1 3902 2844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10940 1 1 1 1 4036 1 1 5164 1 1 1 1 5288 1 1 1 2408 1 6094 195.9129 *195.913* C4 H4 O S4 - 6.859385 6024 6710 1 4705 6140 1 1 1 5455 1 1 1 1 4864 4575 1 1 1 1 5102 7470 1 1 5645 5955 1 1 1 1 4118 1 1 6964 5969 3410 1 1 1 4639 6799 8239 1 1 1 1 5933 3276 1 4719 1 2705 1 12478 12867 8004 3958 1 7073 1 1 17173 19197 7616 1 8640 9005 1 1 1 2392 7145 8003 1 1 4950 7355 1 1 12882 9598 10593 17877 16539 10919 8853 9133 25871 22463 11808 11978 195.913 *195.913* 195.913@1.0840346 1 1 2157 1877 3225 1 1782 1 3166 1 1385 2050 1 1 2562 3940 3329 3181 2175 1 1 2660 1 1 1 1 1 1 1 1 2820 2399 1763 1735 2088 1763 1 1 1756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1221 1 1 2463 1 1 1 1 1 1 1 1 1 1 1711 1 1 1 1 1 1 1806 1 1 1 1 1 1 1 1 1 1 1 1 195.913 *195.9131* 195.9131@7.2793593 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1742 1 4323 195.9131 *195.9131* 195.9131@3.901139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.9131 *195.9132* 195.9132@6.9402003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4422 6350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.9132 *195.9133* 195.9133@1.3586395 1 1 1 1 1 1 2753 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4272 1 1 1 1 1 1 1 1256 1 1 1 1 1 1 1 1 1 1 1941 195.9133 *195.9953* C6 H9 Cl O3 S - 5.484433 1 1 1 1 1 1 1 1082 1 1095 1 1 1 1 1 1 1 1160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1158 1083 1 1 1 1187 1085 1 1 1 1 1 1 1 1141 1012 1 1448 1602 1111 1320 1 1401 1 1 1093 1089 1623 1592 1 1 1278 1128 1266 1207 1 1077 1258 1756 1 1 1 1 1 1729 1386 1539 1407 1529 1400 1669 1449 1414 1554 1644 1 1 195.9953 *195.9955* C12 H4 O S 1999 1569 1517 1558 1708 2012 1964 1686 1420 1554 1466 1495 1658 1628 1481 1845 1702 1984 1491 1357 1536 1561 1277 1511 1494 1657 1468 1567 1321 1332 1821 1695 1719 1688 1817 1815 1876 1635 1595 1558 1944 1503 1705 1570 1764 1912 1633 1699 1559 1228 1860 1772 1580 1941 1702 1684 1594 1738 1508 1774 1855 1864 1600 1475 2370 2271 1994 1732 2038 1928 1473 1313 1830 1734 1293 1431 1592 1527 1322 1047 1772 1473 1620 1309 1581 1447 1472 2116 1400 1626 195.9955 *195.9957* C6 H9 Cl O3 S 2523 2630 2234 2531 2264 2181 2617 2249 2196 2425 2309 2316 2558 2186 2760 2524 2493 2327 1892 1993 2381 2066 2044 2221 2148 2261 2502 2258 2447 1893 2512 2376 2624 2854 2807 2623 2188 2494 2412 2297 2681 2708 2347 2435 2798 2527 2449 2190 2243 2178 1 2992 3001 2660 2618 2937 2583 2947 2559 2744 3016 3137 2762 2364 3341 3647 3432 3159 2623 2664 2216 1929 2421 3062 2112 2496 1859 2089 2090 2189 2891 2390 2227 2812 2475 2476 2542 2603 3107 2702 195.9957 *196.0009* 196.0009@3.0780492 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 1 1 1 1 1 1 1 1 1 1 1 1685 1 1 1 1 1 1472 1 1 1 1 1 1373 1 1 1 2786 1 1 196.0009 *196.0029* 196.0029@1.1347706 1 1 1 1 1 1 1 1 1459 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 1 1 1 1 1 1 1 196.0029 *196.0264* 196.0264@1.6735262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6954 7768 1 1 1 1 1 1 1 1 1 1 196.0264 *196.0443* 196.0443@5.7601542 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 1572 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 1642 1 1 1 1 1 1 2553 1 1 1 1803 1 1 3163 1 1 1 1 1395 1 2728 3922 1 1 1 1939 1 2847 3376 196.0443 *196.0449* 196.0449@5.8067827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 196.0449 *196.0456* C4 H12 N4 O S2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2177 1 2260 1 3384 1 1658 1 4866 1 1 1 2750 1805 1 1 1 1 1 1 1746 1 1826 3630 2219 1 1 1 2036 1880 1 1 5176 1 1 1878 1621 1 1 1 2528 3240 2633 1 1 1 1 2663 1221 1780 1 5918 1902 1 1 1704 1 4024 2876 1859 4359 1 2088 2091 3296 2777 2544 4936 1 1541 1156 196.0456 *196.0478* 196.0478@1.1137376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39356 38916 1 1 1 1 1 1 1 1 196.0478 *196.0505* 196.0505@1.855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 196.0505 *196.057* C5 H13 Cl N4 S 1 1 1 1 1915 1 4175 2183 1 1 3658 2916 1697 1875 1 1114 1 1 2852 3059 2037 1 1619 2952 1 1 1421 1 1241 1 1878 1 2078 1 1 1 4028 3780 1 2203 1515 5548 1 1 1 1 1919 1868 1639 1 2112 2356 3736 1 1 1 1 1 2269 3595 1 10681 2036 2345 6032 6173 1982 2112 4972 5694 7367 2144 1112 5964 1 1927 4000 5771 4853 4203 3269 2499 2443 2367 9886 5454 5299 1568 2825 1783 196.057 *196.0578* 196.0578@1.9424564 1 1 1 1 1 1 1 2142 1 1 1 1456 1386 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 4089 1 1 1 1 1 1 1 1 1 1 1 1 6174 1 1 1 1 1 1 7324 1 1 1 1 1 1 1 1 1 1 5356 4911 1 5932 4359 1 1 1 1 1 2999 1 1 1 1 1 3837 1 2884 196.0578 *196.0579* 196.0579@1.8711346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.0579 *196.0688* 196.0688@1.282798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2531 1 1 1 1 1 1 1 1 1 1 196.0688 *196.1012* 196.1012@1.1479758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 196.1012 *196.1097* 196.1097@1.1465878 1 1 1 1 1 1 1 1 1 1 1651 1321 1 1 1 1 1 1 4918 5349 1 1 1 1 1 1 1 1 1 1 1 1 1698 1772 1 1 1 1 1 1 1362 1563 1 1 1 1 1 1 1026 1019 1 1 5132 5038 1 1 1 1 1 1 5167 5238 1 1 1 1 1 1 1 1 1 1 1 1 2304 2727 1265 1135 1 1 1 1 1 1 1 1 1 1 1 1 196.1097 *196.1111* 196.1111@1.5585043 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5208 5640 1 1 1 1 1 1 1 1 1 1 196.1111 *196.1398* 196.1398@1.189065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4988 1 1 1 1 1 1 1 1 1 196.1398 *196.1455* 3-dodecynoic acid 1452 1752 1832 1596 2510 2137 1552 1531 1520 1713 1943 2145 1811 1698 1639 2005 1 2346 1745 1648 2272 2094 2366 2261 1817 1959 1637 1521 2102 2145 2600 2344 1796 2136 1539 1592 1755 1 1543 1570 1808 1 1516 1315 1677 1699 1271 1491 1969 1805 1941 2342 3334 3372 1899 2137 1897 1763 1 1 2052 2312 1125 1100 1475 1922 1636 2149 2413 2434 1184 1224 1187 1075 1365 1262 1305 1085 2752 2931 1749 1889 2056 2111 1038 1366 2215 1 1 1517 196.1455 *196.8176* 196.8176@1.106465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134971 1 1 105975 1 1 102830 130671 1 133832 126294 122422 125493 1 1 92495 1 93216 1 1 1 1 1 1 1 1 119934 1 1 129171 131748 1 1 109931 155221 149919 1 122586 1 1 135247 137633 1 1 143768 130162 136122 145429 1 1 90135 120517 1 125075 1 1 154306 155814 1 167875 1 1 1 1 153273 146405 196.8176 *196.8176* 196.8176@2.0709274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59516 1 1 1 1 1 1 1 1 1 196.8176 *196.8178* 196.8178@1.2097638 1 103444 99095 97002 104540 105508 104927 98553 94788 90985 91418 90236 85281 1 80537 1 1 72197 82063 79249 78512 76072 58358 73977 156014 155134 166992 162979 151203 148808 143987 142636 146189 146238 143437 142961 149541 150709 147150 146988 142241 142872 133958 134755 143937 147314 141492 136899 144307 139576 135209 138908 140365 142527 140513 143245 145226 147257 147961 146303 182827 185480 140380 141114 150277 153508 157329 157643 155183 155963 151712 149439 155939 148474 153056 153974 171182 167565 168148 176534 153288 151406 164356 160376 169078 172185 159735 166508 150638 150932 196.8178 *196.9134* 196.9134@0.9084782 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 1848 1449 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 1031 1 1 1 1 1 1 1 1 1 8310 6765 1 1 1 1 1 1 1 1 1 1 196.9134 *196.9475* 196.9475@0.9111596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 196.9475 *196.954* 196.954@0.9336277 1 1 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 2775 1 1 1 1 1 1 1 1 1 1 1 196.954 *196.959* C4 H5 Cl2 N3 S 2083 1654 1100 1577 1857 1847 1 1089 2093 1947 1169 1346 1 1 1 1 1 1 1968 1705 1 1 2105 1873 1761 1575 1 1 1250 1 1468 1530 1560 1446 1608 1900 1630 1572 1 1234 1391 1341 1723 2060 1 1 2031 2209 1802 1867 1 1 1550 1508 1661 1 2214 2336 1779 1683 1777 1776 1137 1601 1512 1545 1922 1 1 1 2564 2415 2155 2436 2139 2536 1862 1655 1 1 2053 1873 1686 1955 2764 2236 2810 3207 1472 1705 196.959 *197.0297* C12 H7 N S 1660 1453 1874 1848 1424 1694 1278 1166 1263 1361 1 2071 1345 1562 1083 1428 1130 1231 1429 1519 1511 1436 1808 1610 2022 2108 1215 1331 1493 1546 1988 1881 1792 2145 1 1291 1731 1588 1625 1737 1686 1599 1371 1474 1488 1136 1214 1284 1549 1172 2257 2394 1 2586 2030 1 1846 1784 1467 1587 2695 2452 1260 1252 2082 2231 2200 1855 1919 2134 3127 2816 1343 1230 2231 2487 3199 3204 6436 6449 3458 3346 2370 2514 3000 2741 5403 5119 2659 2779 197.0297 *197.0355* C5 H11 N O5 S 2566 2407 1885 2314 2480 1954 2708 3013 3048 2726 2767 3065 2631 3196 1 1521 3544 3294 3280 2910 2239 3017 3668 3744 1934 2288 2602 2490 1 2208 1 3113 2666 2349 3351 3292 4583 4628 3392 3238 2438 1958 2976 3037 2291 2527 2852 3382 3474 3235 1646 2274 2416 2285 2211 2028 1976 2073 3815 3681 3869 3692 2882 2485 3195 3060 2519 2267 3865 4056 2678 2845 2889 2647 2564 2373 2187 2522 3793 3943 2408 2375 1970 2038 4066 4249 1729 1623 3774 4416 197.0355 *197.0501* 197.0501@0.80853105 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.0501 *197.0537* 197.0537@1.3427082 1 1 1 1 1 1 2123 2194 1658 1621 3336 3531 3528 3405 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 1305 1569 1610 1 1 1 1 1 1 1 1 1 1 3101 2024 1 1 1 1 1259 1 6165 5831 1 1 1865 1555 1333 1477 3828 3405 2816 3467 3331 3377 1961 1941 2235 2308 1514 1385 1 1 1 1 2591 2510 1704 2146 1 1 197.0537 *197.0553* 197.0553@1.9681296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.0553 *197.0683* L-DOPA 2228 2130 2785 2772 2182 2526 3506 3650 3030 2700 2484 2167 3605 4129 3240 3301 2055 2150 3054 3653 1417 1272 3210 2936 1711 1764 2073 2217 3516 3493 2590 2975 2533 2679 3801 3517 5484 5185 4005 4149 2530 2590 3196 2807 3634 3813 4250 3969 1956 2091 2338 2112 3502 3249 2347 2475 2051 1805 3883 3242 4336 4192 1769 1 3046 3188 3276 3440 4498 4006 5322 4948 1953 1883 2009 2109 4002 5703 11559 12930 3625 3488 2387 2148 3876 4172 1 1861 4576 4571 HMDB00181 C00355 197.0683 *197.0695* 197.0695@0.86052656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1210 1 1 1 1 1 1 197.0695 *197.0714* 197.0714@2.1793275 1 1 1 1353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2662 2637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5127 5323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1892 2038 10201 9714 3962 4274 2901 2996 2331 2905 1 1 1 1 1 1 1 1 2119 1923 1 1 1 1 2129 2201 1 2594 1 1 197.0714 *197.0795* 197.0795@7.2239456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1128 1 1 1 1 1 1 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1065 1898 1353 2309 2447 1 1 1 1 1 1 1271 1338 197.0795 *197.9125* 197.9125@1.2803129 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.9125 *197.918* 197.918@1.1695482 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 1 1 1 1 1 197.918 *197.9537* C8 H3 Cl O2 S 1 1341 1 1323 1 1240 1172 1425 1 1623 1377 1266 1 1 1467 1410 1 1726 1 1369 1469 1102 1393 1382 1536 1 1489 1711 1271 1 1314 1346 1 1233 1336 1351 1518 1332 1457 1339 1614 1562 1361 1450 1109 1171 1262 1358 1538 1288 1455 2056 1471 1541 1279 1 1473 1794 1223 1490 1373 1683 1412 1559 1988 1722 1710 1427 1402 1117 1756 1830 1251 1224 1474 1410 1606 1909 2084 2140 1931 2086 1628 1961 1819 2114 1 1869 1005 1334 197.9537 *198.0276* C7 H6 N2 O5 3863 3319 4031 4134 3810 3965 3830 4189 4043 3271 2822 3406 4007 4240 4643 4428 3556 3674 3244 2488 3761 3791 3316 2695 2673 4458 3951 3720 3008 3400 4126 4368 3934 3972 3966 4412 3736 3664 1 3926 3245 3448 3586 3774 3996 3978 3926 1 3821 2779 2782 2884 3794 3643 2197 3359 3641 3640 3566 3757 3347 3647 1917 3131 1 1 2375 3326 1 1 1738 1517 1990 3248 3121 2475 3074 2484 3766 4139 3097 2473 3180 2327 2413 3183 2136 3516 4034 4270 198.0276 *198.028* 198.028@1.0227835 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 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 198.028 *198.0299* 198.0299@1.4571476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1479 1618 1 1 1 1 6343 4217 1290 1 2004 1959 1353 1 1 1 1 1 1 1 3406 2526 1 1 1 1731 1 1 1 1 198.0299 *198.0311* 198.0311@0.9980469 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 1303 1 1 1 1 1 1 1 1 1 3261 4399 1235 1 1 3427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0311 *198.0322* 198.0322@1.026229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 198.0322 *198.0379* 198.0379@1.302537 1 1 1 1 1 1 2329 1 1 1 2429 2839 2404 2148 1892 1535 1 1 1547 1901 1 1 1 1 1 1 1632 1338 1 1 2176 1 1 1 1 1 1 1 1 1 2354 1 1 1 1 1 1969 1560 1 2413 1 1 2063 2296 1 1 1 1 1 1 7280 7170 1 1 1 2807 2681 2691 2866 3007 3587 3513 4014 3572 1 2432 3262 3071 1861 2064 1844 1 2027 2335 3227 2798 2405 2947 1 1 198.0379 *198.0417* 198.0417@1.3018371 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0417 *198.0677* 198.0677@1.0652946 1 1 1 1 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 1989 1287 1199 1 1 1902 1643 6148 6787 1 1 1220 1155 1 1 1396 1654 1 1 1 1 14635 14761 7919 7837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5844 5846 4260 4535 1 1 3070 2720 1142 1 198.0677 *198.0745* 198.0745@3.0169916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11512 1 1 1 1 1 1 198.0745 *198.0745* 198.0745@1.6408421 1 1 1 1 1 1 1 1762 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 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 1995 1 1303 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0745 *198.0748* C6 H14 O7 10760 11058 1 1 1 1 56656 34712 36812 55200 34763 15968 5378 15300 36910 18512 72431 73107 16300 84002 5324 18749 10220 8291 18347 13420 69891 62848 4400 5644 129464 81083 8149 4716 18905 19032 33650 34590 17178 45061 5258 46676 3639 7190 11429 11426 56936 93893 11194 36625 1 14313 10919 29235 1547 1 11919 9865 3485 4596 24129 17421 16071 16520 1 16924 60761 27769 100125 96475 1 9389 1 17740 1 13731 35213 21545 11230 13507 27247 22993 1 7586 35722 31848 20505 19519 9058 23458 198.0748 *198.0748* C7 H10 N4 O3 1 1 8463 7739 100499 101645 151409 145902 84926 85953 213798 211677 66759 64873 62959 64330 18684 20222 83155 82159 65575 67909 50218 55885 1132 1 38936 38622 44590 44472 80309 82917 108153 107127 86466 89510 35732 37902 62567 62025 132942 133543 1612 1 27315 28648 33295 33616 39752 40424 37627 39749 191958 192845 17628 17406 106882 108300 66033 64558 292575 275227 1 1 319275 324920 201029 199959 327472 325746 161242 154593 140828 140367 326096 333332 286280 290930 106777 106175 84558 80849 54692 43342 394551 390479 153007 156438 85750 84184 198.0748 *198.0748* 198.0748@2.1384432 1 1 1 1 1 1 1 21056 1 1 1 1 5659 1 1 1 1 1 25361 1 2617 1 1 1253 1 2512 1 1 1 1 1 1 1452 5757 1 1 1 1 24020 1 13640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1662 4234 8696 10387 1 1 1 3762 1 1 1 1 1 1 1 1 1 1 1 16345 1 1 1 1 1 1 1 5868 1 2307 1 1 198.0748 *198.0749* 198.0749@2.0187323 1 1 1 1 1 1 1 2816 18002 1 5240 1 2476 1 1 11894 1 1 1 1 1417 1 1 1 1 1 36628 28600 1 1 1 45643 1420 1 1 1 1 1 2198 1 23777 1 1 1 1 1 35602 1 10121 1 1 1 24003 1 1 1 1 3406 2252 2550 4975 11795 1 1 1 3283 1 32857 1 3315 3916 5322 1 3924 5354 5546 4907 2471 4635 1224 1482 3926 1 1 4013 4409 1 1012 2136 15460 198.0749 *198.0749* 198.0749@2.2837117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14530 1727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2454 3481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0749 *198.0838* 198.0838@1.1769357 1 1 1 1 1 1 1 1 1 1 1 3493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0838 *198.1612* 9-lauroleic acid 5776 8066 5192 4912 5871 5572 4137 3952 6625 5226 4097 4813 5509 2605 6246 7352 7565 8153 5432 8036 9464 10089 13285 13573 6430 5043 3375 3962 12176 11410 36554 37460 29045 27871 26678 26030 20560 21682 7117 8018 17220 18011 5191 5970 5475 5721 9109 7821 7205 7412 26943 24219 24760 25651 11279 12482 10698 11079 7007 6946 9242 8593 7918 9738 14467 14594 17518 17822 22890 22460 9987 8247 14221 14957 10309 10769 5316 6208 20374 20606 19080 19635 18259 19162 6546 8034 18751 18256 24347 24028 198.1612 *198.1929* 198.1929@2.9567215 1 1 1 1 1 1 1 1 1 1 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 1 1 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 2510 1 1 2402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.1929 *198.8145* 198.8145@1.1241634 67393 1 1 1 1 1 1 1 1 1 1 1 1 59491 1 51233 1 1 1 1 1 1 1 1 1 1 1 1 83179 1 1 1 84060 1 1 1 1 1 78554 1 1 1 1 1 1 1 70327 71134 1 76610 1 79716 85287 1 1 87982 70179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82799 81073 1 1 1 1 84785 1 1 1 108060 1 86784 1 91041 88409 1 1 198.8145 *198.9655* 198.9655@2.9297602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2773 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 5015 4258 3040 1472 1 3618 1 1 3430 1 2753 3467 1 1 1 2616 2993 1 1 1 1 1 1 1 1 2401 1 1 1 1 3515 1 2406 1 1 3012 1 1 2135 1 198.9655 *198.9659* 198.9659@2.1001422 1 1 1 1 1 1 2211 1 1 1 1 1 1 1 1 1 1619 1 1 1 1 1 1 1 1 1 1 1 1 1 2485 1 1 1 1269 1520 1 1 1 1 1 1 1 1 1 1 2333 1919 1 1 1 1 1 1 1 1 1 1 1 1 1 3272 3051 1724 2249 1 1 1 1 1 2170 1565 2334 3684 2062 2956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.9659 *198.97* 198.97@6.3555255 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 1 198.97 *199.0283* 199.0283@3.1308136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3342 7681 1 1 1 1 1 1 1 3047 1 1 199.0283 *199.0292* 199.0292@3.0081227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3941 2139 1 1 1 1 1 1 1 1 1 1 199.0292 *199.0555* C3 H13 N5 O S2 1 1 1 1 1 1 1 1 1 1 1 1 1 1094 1 1 1 1 1039 1098 1 1 1 1 1134 1 1223 1 1 1 1 1 1 1 1 1 1 1 1349 1 1 1 1 1 1 1 1 1 1 1 1605 1233 1074 1 1 1 1 1164 1 1 1 1175 1 1 1208 1271 1 1 1 1109 1648 1548 1 1 1219 1316 1315 1784 1874 1451 1565 1436 1556 1566 1730 1389 1528 1492 1440 1404 199.0555 *199.0776* 199.0776@2.1515088 1 1 1 1 1 1 1 1 1 1 1 2200 1 1 1 1 3157 1898 7795 1 1 1 1 1 1 1 1 4756 1 1 1 1 1 1 1 1 1 1 3152 1 1 1 1 1 1 1 1 2851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3601 4547 1 4169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.0776 *199.0813* C5 H9 N7 O2 1052 1 2102 2675 1868 1355 2476 1659 1 1 1881 2973 1 1837 1 1990 2769 2482 2128 2144 2175 2283 1 2042 2512 2511 3210 2824 1 1 2192 2820 1833 1708 2005 1 2355 1052 1397 1 1193 1215 3070 2124 2399 1343 3419 3610 1068 2116 1703 1753 1575 3415 1599 3770 2422 1587 1826 1 4436 4238 2935 2775 4097 4080 2428 2547 4002 1906 3637 3547 2979 2618 3332 3579 4764 4180 2780 5107 1653 3238 2342 3438 3683 1812 4165 7291 2273 2244 199.0813 *199.0815* C5 H9 N7 O2 - 5.7889166 1 1506 1 1 1307 2003 1698 2694 1920 2139 3206 2053 2012 1 1976 1 1382 1454 1415 1484 1729 1595 1985 1 1317 1595 1392 1346 1119 1 2241 1320 1 1 1307 1 1 2594 1 1 2005 2017 1998 3323 1 2180 1326 1928 2251 1137 2997 3419 3355 1834 3085 1483 1408 2594 1 2049 2613 2455 1457 1 2449 1 1227 1250 1934 3841 1 1554 5156 4830 1920 1852 2229 2767 4432 2676 3490 1870 3473 2354 1934 3668 6763 3613 1 1249 199.0815 *199.0928* 199.0928@3.216467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.0928 *199.9612* 199.9612@2.321033 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.9612 *199.9613* 199.9613@2.9819064 1 1 1 1 1 1 1 1 1 1 1 2454 1 1 4703 1 1 1 1 1852 1 1 1 2077 1 1 1 1294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2607 1 1 1 1 1 1 5775 1 1 1 1 1 2514 1 1 1 1 1 5169 1 1 1 1 14538 1 1 2179 1 2683 1 1 1 1 1 1 1 10096 1 1 1 1 1 1 1 1 1 199.9613 *199.9614* 199.9614@2.0819237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5702 3535 1 1 1 6120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9558 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 2531 1 1 1 1 1 1 1 3372 1 199.9614 *199.9615* C7 H4 O3 S2 10105 1 11180 1 10319 4438 12602 15334 8856 10285 8203 9313 14847 1 12727 7375 12034 17847 1 1 10353 4619 4225 3614 18820 11156 1 1 1 3380 1 5617 8568 1 14901 17362 13225 1 8159 5093 17080 10227 6920 5727 6494 15716 19659 25996 1 17055 7898 1 15656 13761 1 8291 16157 13382 20876 1 20345 1 20930 16359 23696 16139 1 13732 6704 1 2589 2391 19916 22837 20413 21301 1 11818 1 1 7416 1 1 6422 7629 19994 1 14128 2941 10295 199.9615 *199.9615* 199.9615@2.2867303 3906 1 1 1 1 1 8149 1 1 1 6036 9787 4211 8529 9122 1999 3309 1 1 1 2658 2617 4405 5123 1 1 3175 1 1 1 1 1 1750 1 1 4287 1 1 2364 2404 1 1 1 7945 1 1 8947 1 1 1 9586 1 1 7404 1 3847 3373 1 7873 1 7532 1 1 1 7998 4458 1 1 1 1 23648 1 1097 1 1 1 1 1 1 1 1 3052 1 4230 8727 1 1 3899 1 1 199.9615 *199.9615* 199.9615@2.5118659 2234 1 1 1 1 1 1 1 1 1 3690 15078 2923 5584 1573 1 1 3963 1 1 3406 1 17362 10938 1 1 1 1 1 5729 1 2187 1 1 1 1 1 1 2842 7769 1 1 1764 1 1 1 1 1864 13278 1 6428 1 1 2873 1 4719 1 8491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1815 2804 1 1 1 1 1 1 3280 1269 1 3339 2372 2223 1 1148 1 1 199.9615 *199.9616* C6 H Cl N2 O4 8248 5296 7447 6859 6225 6432 6316 5077 6864 7211 2810 6410 6953 7224 9626 6867 11423 12375 8185 6682 9504 8149 11751 4748 6479 7043 6907 6265 4027 4002 7226 5319 8429 7885 6775 5853 6918 5944 6725 8313 8604 8405 6345 4313 3443 1 4205 1 8929 12281 8728 15945 9735 10683 15505 16360 6600 8373 10579 10667 12142 15097 4211 9438 8870 8352 14962 5844 7925 8171 6458 10641 6158 7842 7828 9171 1 8406 1 1 4863 14280 7687 7655 6773 8696 6319 2837 5146 4483 199.9616 *199.9616* 199.9616@3.011695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.9616 *199.9621* 199.9621@2.4502542 3161 1 1 1 1 1 1 1 1 1 1 1 6799 6417 1 1 1 1 1 1 2751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2914 1 1 1 1 1 1 1 1 1 1 1 7335 1 1 1 1 1 199.9621 *199.9659* 199.9659@3.0139737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4424 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 2312 1 1 1 2933 2144 199.9659 *199.9705* 199.9705@3.1320703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8103 1 1 1 1 1 1 1 1 1 199.9705 *200.0128* 200.0128@1.9673789 1 1 1 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 1 1 1 1 1 1 200.0128 *200.0143* 200.0143@0.9975526 1 1 1135 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 1165 1207 1044 1260 1 1336 1 1332 1 1 1922 1729 1124 1 1 1067 1187 1185 1 1 1 1 1399 1 2764 3515 1263 1207 1045 1 1121 1316 1218 1247 1 1 200.0143 *200.0165* 200.0165@0.7450027 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.0165 *200.0206* 200.0206@0.73971033 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 1 1 200.0206 *200.0222* 200.0222@0.7438209 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.0222 *200.0253* 200.0253@1.4640367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 200.0253 *200.0273* 200.0273@3.341226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 200.0273 *200.0289* 200.0289@3.3116863 1 1 1 1 1 1 1911 1 1 1 1 2133 2176 2991 2710 2640 1 1 2981 1 1856 2167 1 1 1 1 1 1 1 1 3618 3251 3125 1 1 2551 1 1 3370 3599 1 1 2600 2890 3063 3062 1 1 1 1 1 1 1 1 1 1 2654 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 1 200.0289 *200.0326* 200.0326@0.8500624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1318 1 1762 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 1 1 1 1 1 1 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 1 200.0326 *200.0426* 200.0426@1.691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2689 1 1 1 1 1 1 1 1 1 1 200.0426 *200.0446* C6 H13 Cl O5 143202 136952 132279 132866 58498 58995 100702 93918 139809 149914 126254 132805 106203 105741 197010 191228 165033 148259 111575 117629 129128 127903 120989 118033 157295 154616 189270 177867 110714 109848 132084 134790 48545 46390 111885 110719 162382 163003 141769 144892 105842 106088 57475 62697 136082 128995 177485 186966 171394 154592 171280 159751 177781 145080 206997 213069 120189 124467 153058 148561 290491 271466 143799 155554 205806 197894 199071 202842 195209 197689 337320 326900 105446 114750 141689 129249 207710 203391 210603 208325 234868 237362 131099 140845 181232 187988 194278 205331 130150 126534 200.0446 *200.0454* 200.0454@2.079183 1 1 1 1 1 1 1 1 1 1 1 1 3091 1 1 1 1 14940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7105 1 14731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.0454 *200.0539* 200.0539@1.081012 1 1 1 1 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 1 200.0539 *200.0576* 200.0576@2.1677558 1628 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 1730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.0576 *200.0617* 200.0617@2.20177 1 2695 1 1 1 1 1 3313 1 2297 1 1 3354 1 1875 3687 2669 1 1 1 4951 2342 1 1 1 1 1 1 1 1 3221 1 1 1 4176 1 2092 4368 3434 1800 2476 1 1 1 1 1 2819 4573 1 6657 1 4879 1299 1 1 1 1 1 1009 1 1 1 4114 5243 1 1 1 1 1 1 3476 1810 2821 1 1 1 5783 4385 3996 3214 3149 1 4100 3773 2830 3312 1572 1504 1 1 200.0617 *200.064* 200.064@1.338633 1 1 1 1 1 1 1 1 1 1 1 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 1315 1 1 1 1 1 1 1 1 1 1 1549 1551 1 1 1092 1021 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 1 200.064 *200.0655* 200.0655@2.2583075 1 1 1 1 1 1 4564 2022 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 1 1 1 1 1 1 1 1 1 3304 1 1 1 1 1 1 1 1 1 2282 1 1 1 1 1 1 1 3419 2432 1 1 1 1 1 1 2621 2637 1 1 1 1 1 1 1 1 1 1 1998 1 1 1 1 1 1 2299 1 1 200.0655 *200.0668* 200.0668@2.2340367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.0668 *200.084* 200.084@1.0540134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1338 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 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 1 200.084 *200.1106* 200.1106@1.1458504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 200.1106 *200.1433* 200.1433@1.622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 200.1433 *200.1488* 200.1488@1.66 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 200.1488 *200.1642* 200.1642@2.0399628 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 1 1 1403 1 1 1 1 1 2068 1 1 1 1318 1 1442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1433 1 1 200.1642 *200.1696* 200.1696@1.0626396 2618 1 3785 2817 2737 1 1 2574 2978 1 2530 2493 1 2591 3522 2749 3020 2921 3014 1 2852 2721 2431 3304 3116 3100 6361 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 1 200.1696 *200.1759* C8 H20 N6 1 1 1 1 1 2761 2591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3175 3557 3056 3330 2809 3015 2838 2961 3407 4117 3171 3550 3052 2623 3260 2967 2517 2645 4908 4145 4150 4081 3928 4053 3079 3302 2572 2820 3016 3142 5786 6172 3842 3212 4353 4485 3121 3046 2937 3135 3283 3564 2829 3389 2813 3074 3404 3091 5318 4632 2684 2878 3242 2998 3136 2895 3284 3586 2843 2426 200.1759 *200.1761* Lauric acid 1145 1 2204 2707 1683 1755 2301 1663 1213 1 2598 3162 1 1 1 1 1 1 1091 1 1367 1 1 1 1800 1 4451 4093 1274 1587 1483 1532 1 1 1620 1553 1 1062 1 1233 1110 1101 1011 1 1313 1172 2266 3482 2043 1763 1095 1068 1 1 1888 1705 1538 1714 1 1000 1801 1827 2118 2297 1663 1410 4900 4950 1 2468 1068 1 2172 1903 1073 1440 1 1 1112 1 1 1 1288 1644 1920 1576 1914 2034 1 1 HMDB00638 C02679 200.1761 *200.8874* 200.8874@0.75893736 1 1 1 1 1 1 1587 1821 1153 1029 1511 1 1 1 1 1 1 1 1 1 1 1171 1 1 1380 1 1 1571 1222 1 1 1 1 1 1 1 1918 1839 1 1 4203 4988 1 1 1164 1275 1892 1824 1 1 1 1 1551 1762 1 1 1 1 1 1 2529 2360 1252 1271 1 1 1 1 8757 9347 1 1 13292 12960 1 1 1 1 1 1889 1 1 2026 1854 5009 4827 3787 3643 1 1 200.8874 *200.9504* 200.9504@1.8898711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1707 2039 1 1 1 1 1 1 1 1 1 1 200.9504 *200.9629* 200.9629@2.0623317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 200.9629 *200.982* 200.982@3.197591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1880 2128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.982 *200.9822* 200.9822@3.9859684 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.9822 *200.9823* 200.9823@3.4216714 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 1391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1990 1460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.9823 *200.9826* 200.9826@3.4804974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 200.9826 *201.0089* 201.0089@0.85385454 1 1 1 1 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 1018 1 1 1 1 1 1 1 1 1 1 1 1 1708 1768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.0089 *201.0262* 201.0262@1.0934345 1 1 1 1 1 2330 1 1 1 1274 1 1 1910 1035 1 1 1 1 1800 1 1 1 1351 1 1 1 1336 1 1 1 1 1 3115 1 1 1 1 1 2556 1757 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 1188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.0262 *201.0265* 201.0265@1.2557318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 201.0265 *201.0275* 201.0275@1.203611 1 1 1 1 1 1 1 1 1 2384 1 1 2401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2375 1 1 1 1 2030 1 1 1 1 1 1173 1159 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 1 201.0275 *201.028* 201.028@1.2796829 1 1 1 1 1 1422 1 1 1 1 1 1 3621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5063 1 1 1 1 3535 2291 1 1 1 1 2189 1797 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 1 1 1 1 1 1 1 1 1 201.028 *201.0491* 201.0491@1.787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3736 1 1 1 1 1 1 1 1 1 1 201.0491 *201.051* 201.051@2.1726737 1 1 1 1378 1 2163 1295 3688 1 1 1 1 1 1 1 1646 1 1 3472 1319 2316 1 1 1 1 1 2149 1 1 1 1535 1 5243 1 1 4282 2814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1030 1 1 1 1194 1 1 3480 1 2843 1 1 1 1 2556 1 1 201.051 *201.0513* 201.0513@2.270399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.0513 *201.0607* 201.0607@6.4055967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1788 1 1 201.0607 *201.0625* C9 H15 N S2 8537 8044 8799 8249 5739 6871 8025 8518 9568 9607 7356 6057 9114 7734 10390 10500 8463 7713 7905 7558 6660 6978 9382 10049 8611 8097 8078 8490 7810 8516 9713 9411 7009 7737 9229 9448 8271 8061 7812 7458 11009 10809 10455 10012 9755 10101 8583 8956 8268 8226 12867 14111 9876 9938 10761 10995 11746 10530 6795 5943 9238 7933 10910 10391 8668 8104 11322 11273 9443 7783 8310 9122 12199 12003 11762 11962 9126 8975 22119 21174 8822 8633 10835 10992 11484 11147 11423 11047 9983 9759 201.0625 *201.0637* 201.0637@1.6791979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.0637 *201.0673* C8 H12 Cl N3 O 1 1 1902 2127 2196 2063 2784 3102 1749 1851 2005 2357 3424 3102 2782 2437 2023 2108 3540 3411 3988 3865 2559 2619 2241 2584 4854 4859 2805 2704 3465 3978 2176 1 2055 1 1 1 3336 3563 1677 1304 1 1910 1 1 1 1648 2998 3014 2539 2391 1 1 1994 2185 2388 2754 1674 1 1 1 1511 1741 2406 2493 3752 3973 1 1 1 1 1809 1842 1 1 1 1 2533 2271 1 1 2920 2455 1 1 2268 1640 2564 2482 201.0673 *201.0676* C8 H12 Cl N3 O - 3.190703 6247 5917 10073 8792 11726 10683 12224 2783 8484 8366 10617 10008 9158 9720 9576 8278 11324 11246 13730 14157 1 1 12439 14814 11702 11101 1 1 6483 8463 8626 10226 8662 9099 10034 12493 8350 8492 1 1 2166 8132 9695 10075 5128 6036 6689 6371 11952 9475 1 1 11927 11661 10637 11718 1 1 11605 1068 1 1 8606 7314 1 1 18037 1735 7549 7512 1 2838 11535 1867 12967 1 1 1 2825 4897 1 1 1 1 1 1 1 1 1 1739 201.0676 *201.0677* C8 H12 Cl N3 O - 3.0550938 1 1 1 1 1 1 1 8264 1 1 1 1 1 1 1 1 1 1 1 1 13598 15821 1 1 1 1 22449 21472 1 1 1 1 1 1 1 1 1 1 16366 17632 4521 1 1 1 1 1 1 1 1 1 21426 21080 1 1 1 1 19315 20559 1 9966 14660 15861 1 1 22104 21151 1 16279 1 1 11030 9232 1 9370 1 12271 20999 20435 1 1509 17615 20036 20526 19929 20721 23954 28090 25570 1 21757 201.0677 *201.0677* 201.0677@3.3762066 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 1562 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.0677 *201.9562* C6 H2 O6 S 4668 5407 4559 4858 5495 4925 4925 4643 4807 4950 6051 4098 3830 4663 4342 2239 6369 5102 5096 4503 5600 1 4880 3394 4548 5734 3635 3482 4751 4901 4277 3994 3507 4033 4393 4462 4265 4458 4331 1 4823 6102 4869 3694 4277 4633 4323 3424 3419 3690 5099 4593 4057 4072 4199 1 1 4204 5324 3959 4989 5001 3969 3889 3809 1815 3189 1 1 3314 3668 1 5808 1 5090 3964 4051 3780 1 5782 4165 2665 4588 4235 3694 3516 3273 3446 4234 3348 201.9562 *201.9562* 201.9562@1.9885212 1 1 1 1 1 1 1 1 1 1 1 1 1556 1 2162 2976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1196 1 1 1 1 1 1 1 1 201.9562 *201.9565* 201.9565@1.2795972 1496 1 1 1 1255 1 1 1 1 2181 1186 1 1 2956 1 1 1779 1 1 1 1387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3697 1 1 1 1 1 1 1 1 1 1 1423 1 1 1 1 1 1 1182 1 1 1 1 1 1 1 1 1 1 1 1 2436 2043 1 2336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.9565 *201.9568* 201.9568@3.0701828 4724 1 1 1 1 1 1 2228 1472 1 2361 1 1201 1894 1 1 3345 1568 1 1 2722 2611 1 1 1 1 1 1 1 1 2355 1968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2847 1 1 6182 1 1 1823 2370 1 1 1 1 3464 1 1 3211 1 2593 1235 1 1 1 1192 1 1 1 3332 5996 1 4599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.9568 *201.9572* 201.9572@2.972274 1 1 1 1 1 1 1 2977 1 1 1792 1 1 1 1 1 1 1 1 1 4367 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 2867 1 1 2493 1 1 1 1 1 1 1 1 1440 1 1 1 1 1 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 1 201.9572 *201.9574* 201.9574@1.5970948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2539 1 1 1 1 1412 1 1303 1 1 1 1 1 1 1 1 1 1 6356 1 1 1 1 1 1 1 1 1 1 1 201.9574 *201.9576* 201.9576@0.74317604 1 1 1 1 1 1 2920 1 1 3496 1 1 1 1 1 1 1 4219 1 1 1 1 1 1 1 1 3450 1 2378 1 1 1551 1 1 2477 1 3099 1 1 3177 1 1 1 1 1 1 1508 1 3400 1 1 4473 1 1999 1 1 2640 2142 1 2177 1 3392 1 1 1314 1 1 1 1 1 1 1 1 1 1 1 1914 2805 1 1 1 1 1299 1 1 1 1 1 1 1 201.9576 *201.9577* 201.9577@0.8162906 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.9577 *201.9578* 201.9578@3.0149045 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 1 201.9578 *201.9609* 201.9609@1.4111297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.9609 *201.9678* 201.9678@1.539221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1189 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 1 201.9678 *202.0286* 202.0286@1.3466189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 202.0286 *202.0318* 202.0318@0.75415105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 202.0318 *202.0328* 202.0328@2.5012732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1690 1 1 1 1 1 1 202.0328 *202.0333* 202.0333@1.3747777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1513 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 6213 1 1 1 1 1786 1 1 1 1 1 7640 1 1 1 1 4223 1 1 1 1 1 1 1 6020 1 1 1 1 1 1 1 1 5353 1962 1 1 1 1 1 1934 202.0333 *202.0334* 202.0334@1.4534626 1 1 1 1 1 1 2894 1 1261 1 1 1439 4197 1 1755 1 1 2413 5789 1 7239 1 3174 1693 1 1 1472 1 1 1 1 3355 1613 1 1 1 1 1 1 1 4200 1 1 1 1 2249 2654 3614 4262 4637 1 3116 1 1 1 1 1 1 1 1 3883 1 1 1 1 3606 4594 4206 1 1 1 2775 1 3726 3378 2949 1 1 1 1 1 1 6176 1677 1 1 2544 1 1 1665 202.0334 *202.0335* 202.0335@1.682266 1 1 1 1 1 1 1 1 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 2960 1 1 1 1 1 1 1 1 1 1 1 6386 1 1 1 1 1 1 1 1 1 1326 1 1 1 1 1 1 202.0335 *202.0337* 202.0337@2.9789162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5176 1 1 3427 1 1 1 1 11626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3685 1 1 4182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0337 *202.0338* 202.0338@2.9024942 1 1 1 1 1 1 1 1 2991 1 1 4307 6896 1 6811 8168 1 1 1 1 1 1 1 1 1 1 5452 8467 1 1 1 10715 11080 8737 1 1 1 9225 1 1 1 4552 1 6085 2704 1 1739 10635 1 3840 1 1 9379 2729 1 1 1 1 1 1167 11898 19109 15320 6350 4326 4967 8511 1 1 8234 5172 4630 7083 14421 1 1 1 4298 1 1 1 3616 1 1 5721 1 1 1 1 2860 202.0338 *202.0353* C4 H11 Cl N2 O5 1 3531 1869 1 1 3893 1 1 8451 1 6223 8945 4025 4444 1 1 1 5978 9718 1 8507 9044 5605 1 1 1 7129 14366 2222 1 7139 12789 1632 1 1 1 1 6195 1 1 1 1 1 1 1 1 7008 1 1 6294 1 1 3088 1 1 1 3558 1 4977 1 1 1 7190 1 1 8051 13500 1 1 5545 5425 9596 1 1 1 5689 7015 10699 1 1 9330 14239 1 1810 16768 18149 13182 14961 1 1 202.0353 *202.0384* 202.0384@2.0102048 1 1 1 1 1 1 1 1 2378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12640 1 1 1 10313 9364 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 2473 1 1 2727 1 1 1 1 202.0384 *202.0385* 202.0385@2.9501321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5787 1 1 1 1 202.0385 *202.041* 202.041@1.6306468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.041 *202.0424* 202.0424@1.9620035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0424 *202.0435* 202.0435@1.9690579 1 1120 1 1 1 1 1 1 1 1 1 1 2047 1 2426 1 1 1 1 1 1 1 6245 2302 1 1 7811 1 7785 2336 1 1 1 1 1 1 1 1 1 1 1487 1 1 1 1 1 1 1 1 3121 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 1 202.0435 *202.0445* 202.0445@6.4355454 1 2299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2133 1 1 1 1 1679 1 1 1 1 1 1 2801 3228 1 1 2608 1 1 1 1 1 1 1 1 1 1 1 202.0445 *202.0448* C12 H10 O S 4386 4288 1 4579 1 1 4062 1 5925 1 6169 4578 5049 5325 5660 6265 5547 4153 3990 6442 6951 1 5883 7052 6577 5730 7804 8047 1 4864 5979 6094 6475 7372 6157 6387 8243 6087 7938 5926 8367 5637 6582 6155 7097 3852 8890 5305 4719 4593 7382 7153 7454 5262 6085 4540 9961 1 8343 5937 7178 5257 6392 8847 11308 7758 2998 4594 5554 6377 8938 2383 10929 8177 6024 5210 10059 10091 9804 20848 5923 11913 10225 8849 7578 4664 13327 8540 6541 9705 202.0448 *202.0448* C12 H10 O S - 5.764691 4091 3462 1 1 1 1 1 1 3763 1 4804 4588 3662 3346 4110 2904 7038 6282 1 1202 4291 1 5061 3956 3457 2719 6260 7098 1 4354 4986 5585 4716 4098 4521 1 6531 5740 2337 6408 9075 4263 5818 4932 5058 4837 1 5150 4759 4524 1 6950 1 2718 6782 1 8058 1 5812 1 7947 8050 8658 1 17321 9330 7814 8347 7421 9429 1 8991 8830 7140 1 11326 4020 12498 10576 8904 2933 1 1 14627 10325 13027 1 14904 13412 11933 202.0448 *202.0448* 202.0448@4.8489237 11239 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7859 1 1 3210 1 1 1 1 1 1 1 1 1 1 1 7799 1 1 202.0448 *202.0448* 202.0448@4.4036403 1 1 1 1 1 1 1 1 1 1 1 1 1 3983 6460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29936 1 1 1 1 1 1 1 1 1 1 1 1 9691 1 1 4776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0448 *202.0448* 202.0448@6.000289 4463 5297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7418 6735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0448 *202.045* 202.045@4.802316 10205 1 1 1 1 1 1 1 1 1 1 1 1 14493 6970 1 1 1 1 25748 1 1 1 1 1 1 1 1 1 1 1 1 9417 1 1 1 1 1 21858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8514 1 1 16306 1 1 1 1 1 1 1 1 1 1 1 12840 1 1 202.045 *202.045* 202.045@5.7712607 2074 2281 1 1 1 1 1 1 1 1 1 1 1 3577 1 1 1 1 1 4299 4390 1 1 1 1 1 1 1 1 1 1 1 4921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18447 1 10449 1 1 1 1 1 1 1 1 1 202.045 *202.0451* 202.0451@4.450386 1 1 1 1 1 1 1 1 1 1 1 1 1 4668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0451 *202.0571* 202.0571@3.290658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5445 1 1 1 6261 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 4212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0571 *202.0595* 202.0595@3.374113 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0595 *202.0636* 2-Naphthaleneacetic acid, 6-hydroxy- - 3.220013 22961 25034 42765 1 1 4853 1 1 32626 37594 42507 39466 38608 42099 38257 39212 1 1 1 1 1 1 1 1 42633 1 1 1 28558 31436 33090 1 35925 1 1 1 1 1 7493 1 26753 25095 1 1 20323 22496 22844 24319 42754 42263 1 1 1 1 52651 45263 1 1 1 1 1 12490 28764 28400 1 1 1 7366 26559 22981 1 5773 1 1 5067 1 1 8230 1 15592 1 1 1 1 15694 1 1 1 1 1 202.0636 *202.0638* 2-Naphthaleneacetic acid, 6-hydroxy- 3655 4273 7450 7928 8212 8454 10475 10626 5208 5457 7553 8364 11810 11407 10103 9211 8221 7394 12400 12849 14721 15712 9928 10627 8412 8187 18864 18804 10229 9426 13541 13832 5631 5547 6306 6680 4424 4310 11885 12484 6425 5827 7058 6214 4287 3882 4893 5656 11174 11187 7025 7038 4323 4244 7325 7843 9749 8780 5328 5135 4424 4587 6240 5641 8508 7966 13704 14004 3946 3703 1 1 6529 6901 4489 3828 3221 1 5462 5808 3502 3543 5198 5713 3927 3570 7562 7730 7187 8324 202.0638 *202.0638* 2-Naphthaleneacetic acid, 6-hydroxy- - 3.1083467 1 1 1 44877 41641 42928 49235 49311 1 1 1 1 1 1 1 1 42519 46322 59103 54384 61720 60801 55786 58772 1 38422 1 1 1 1 1 36383 1 33004 44752 43273 24724 26212 1 74630 1 1 42880 46372 1 1 1 1 1 1 82820 83924 45148 39289 1 1 1 1 44093 48706 55788 60279 1 1 1 1 78606 72507 1 1 49432 42720 39060 41230 51946 57831 86780 77638 1 5350 68362 71558 84852 76723 76782 87367 1 1 1 1 202.0638 *202.0642* 202.0642@2.9896622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91130 100956 1 1 1 1 1 1 1 1 1 1 67540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72649 80723 1 1 1 1 1 1 88188 87572 1 1 1 1 1 1 1 1 1 1 1 1 1 5611 1 1 1 1 1 1 119279 113248 97257 104731 202.0642 *202.082* 202.082@1.6245617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23289 22368 1 1 1 1 1 1 1 1 1 1 202.082 *202.1143* 202.1143@1.3406757 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 1367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2130 2542 1 1987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2690 2251 2318 1 1 1 1 1 1 1 1 202.1143 *202.1283* 202.1283@1.1505095 1 1 1 1 1 1 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 1755 1 1 1 1 1 1 1 1 1 1 1137 1 1 1849 1 1 1 1 1158 1 1 1 5243 1 1 1 1785 1557 1 1 1 1 1 1169 1 4526 1 1 1 1012 1 1 1 1 1 1 7147 5512 20332 1629 1 1162 1 1 1202 1516 1 1271 202.1283 *202.1344* 202.1344@1.1523894 1 1 1 1 1 1 1745 1 1 1 1 1 1 1 1 1 1429 1680 1434 1 2057 2126 1 1 1 1 1427 1 1549 1475 1 1 1 1 1 1 1 4357 1407 1300 1 1 1 1131 1333 1 1 1 1 1 1 8159 1389 1325 1 5146 1 1 1 1 1472 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 1 202.1344 *202.1369* 202.1369@1.1523914 1 1 1178 1094 1 1 1 1602 1 1 1 1 1 1 1 1 1 1 1 1178 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 1 1 1 1 1 1 1 1 1 1 202.1369 *202.14* 202.14@1.1520537 1 1 1 1 1367 1308 1 1 1 1 1330 1 1309 1815 1203 1284 1 1 1 1 1 1 1 1043 1603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.14 *202.1469* 202.1469@1.1498153 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 1539 1 1 1 1 1 1 1043 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 1 202.1469 *202.9633* 202.9633@3.8922973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 202.9633 *202.9635* 202.9635@3.0351145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3225 1 10192 1 1 3658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 3330 1 202.9635 *202.9635* 202.9635@0.9994325 1 1 1 1 1 1822 1 2250 1 1 2932 1 1 1 1 1 2086 1 1 2185 1454 1 1 1774 2629 2690 1 1 1 1 1 1 1 2258 1546 1890 1 1047 2238 2311 1 1 1 1 1 2868 1799 1 2714 2822 2409 1644 1311 1 2377 1823 1 3269 2531 1182 1 1 1 1 1 2446 1 2908 1 1 2406 1 1 1 1 2114 1 1 1 1 2287 1 1 2943 2365 1 1 1 2081 1 202.9635 *202.9635* 202.9635@1.3088597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4922 1 1 1 1 1 7095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3824 1 1 1 1 1 1 1 202.9635 *202.9635* 202.9635@1.9633455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16021 1 1 1 1 1 9895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.9635 *202.9636* 202.9636@2.0055907 1 1 16853 1 1 18654 1 1 1 18764 1 1 1 1 1 18035 16297 1 1 1 1 3654 1 1 1 1 9601 8062 1 1 1 1392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2545 1 1 1 1 1814 1 1 1 1 1869 14793 1 1 1655 1954 2154 1 16467 1 6446 6990 1 1048 1 16726 1 1 16929 1 1 1 1 1 1 1 15521 1 1 1 1 1 202.9636 *202.9637* 202.9637@0.86881393 1 3201 1974 2210 1 1102 4064 4234 1504 1926 4520 2332 1909 1 1 1 4484 1 2331 2989 3292 1849 2468 2652 5803 3890 1 2440 2615 1 3660 3959 4595 3867 4075 2568 3255 3837 3747 2259 1 2237 1 2177 2358 5347 2221 1005 1399 1812 2856 2682 1839 3254 1187 3747 1 2597 3513 2229 2949 1 3653 4160 3032 4581 1 2823 4739 1921 1 2973 3564 1 3231 2121 2555 4163 1 1708 3605 4044 4021 2915 3900 1288 2025 2317 3809 1 202.9637 *202.9637* 202.9637@3.0682833 1 1 1 1 2397 3025 1 1 1 2789 1 3670 1 1 1314 1 4080 1 1 2356 1 1732 1 1 3617 1 1 1 1 1 9791 9799 1 1 11940 1 1 6201 1070 1 5711 1 1 1 1 1 1 4316 1 11927 1 1 1 1 10186 5331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1976 1 1 1 5039 1 1 1 4957 2417 1 1 1 1 1 1827 4706 1 202.9637 *202.9637* 202.9637@1.1046386 1 1 1806 1 3490 1 1704 2618 1 3211 2400 1 1 1 1767 1914 5687 4376 1 3156 1935 1386 2198 1851 1342 2115 1 1 2145 1812 1 2297 3054 2580 1801 1655 2439 1 1025 2333 1631 1 1 2149 1 1 2043 1528 1927 1914 1231 2267 1184 1381 2576 2792 1 1640 3225 2057 1966 1 2673 2878 1899 1877 1836 1668 1456 1564 1839 1 1348 1177 1323 5011 1604 1 1 1 1056 1 1480 1349 1427 1947 1 1 1756 1 202.9637 *202.9638* 202.9638@1.3664175 1 1 1705 4275 1 7410 1 4439 6223 4035 1 4535 9077 1 1143 1 1 1 1 1 1 1 7152 4365 1 1 4362 6590 4844 1 5461 6479 1 3031 4505 1 1 7946 1 4271 2794 1 1 1 1 1 4743 1 1 1992 1 5298 5714 5651 1 3094 2272 2635 5371 3149 1 7267 1 1 4576 5527 1 3475 1 1 8466 3648 5128 1972 5922 2527 1 1 1 1 3362 3476 3609 1 1 2315 8626 1621 4194 1 202.9638 *202.9638* 202.9638@1.0630858 1 1 1 1 1 1 1 1 1 1 2906 1 1 1 1 1 1 1 1 2691 1 1 1 1 1 1 1 1 1 1 1 1 1 2791 1 1 1 1 2044 3596 1 1 1 1 1 1 1 1 1 1 2281 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 1 202.9638 *202.9639* 202.9639@2.9633784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 202.9639 *202.964* 202.964@0.7382038 1 1548 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 1 1 1 1617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2390 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 2732 1 1 1 1 1 1 202.964 *202.9641* 202.9641@1.6448677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1454 1 3850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3168 1 1 1 3305 1 1 1 2157 1 1 1 1 1 1 1 1 4732 1 1 1 1 6049 1 1 1 1 1 1 1 1 1 1 20803 1 1 1 3500 1 1 1 1 1 1 1 202.9641 *202.9645* 202.9645@0.67615926 1 3136 1 8048 1 4933 3230 6163 2387 3292 2783 3369 1 3800 1 1 1 1 1 1224 4696 1634 1 4540 5961 5810 1 3041 1 1 1 4868 2327 4413 1 1 3152 6835 1 1 1 1 1 1 1 1 1 1 6510 1 1 2900 4721 1 1 2664 1 1 1 2342 1 1 1 5515 1 6988 2672 1 6214 5366 1 1 4661 4476 1 1931 1 1 1 1965 6216 1 1 1124 6114 1 1 1 4298 1 202.9645 *202.966* 202.966@3.470725 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 202.966 *203.0296* 203.0296@1.684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 203.0296 *203.0372* 203.0372@1.8910512 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 2798 2916 5067 4870 1 1 1 1 1 1739 1 1 1 1 1 1 1 1 1 1 1 1 1 2252 1 1 1 1 1819 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 4243 1 1 1 1 1958 1 4279 203.0372 *203.0437* 203.0437@2.053338 1 1 1 1 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 2529 1 1 1 7330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1984 1 1 1 1 1 1 1 1 1 1 1 4538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1795 1 1 1 1 2637 1 1 203.0437 *203.0449* C7 H10 Cl N3 O2 2631 2357 1 1 1 1 3984 1 2459 2901 1 3095 14250 10034 4766 4211 1 5902 13493 13928 8363 6975 12343 12117 4057 5529 6880 7296 12061 16189 1 3375 3589 1 2662 1 1 1 3897 2595 10165 8860 3186 3127 3686 3711 1 1026 8383 13217 10845 17770 1 3131 6260 5866 1 1 5023 4567 1 1 1 1 1 1 1 4616 1 1 1 1 1 1 1 1 5021 3684 1 1 9846 8318 9064 9793 1 3998 7795 10047 12725 11884 203.0449 *203.0457* 203.0457@4.364402 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.0457 *203.0518* 203.0518@1.9641926 1 1 3227 2454 2679 2475 1 5706 1 1 3722 1 1 1 1 1 3873 1 1 1 1 1 1 1 1 1 1 1 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 2405 2611 1 2380 1 8989 1 2692 2573 1544 1 3846 3281 1 1 1 1 6927 6012 1 1 1 1 1 1 1 1 1 1 203.0518 *203.054* 203.054@5.826573 1 1 1 1 1 1 1 1 1 1 2039 2455 1 1 1 1 2004 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 1466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1868 1 1 1 1 1 1 1 1322 1 1 1 1 1 1 1 2986 1 1 1 1 1 1 1 2484 1 1 1 1 203.054 *203.0575* 203.0575@1.9705197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 203.0575 *203.0602* 203.0602@1.9835072 1 1 1 1 1 1 1 1 1 1 1 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 1930 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 1 203.0602 *203.0656* 203.0656@3.1753085 1 1 1 1 4233 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 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 1 1 1 1 1 1 1 1 1 1 203.0656 *203.074* 203.074@2.2780967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2643 3821 1 1 1 1 1 1 1 1 1 1 203.074 *203.0776* 203.0776@2.87043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1933 1 1 1 1 1 1 1 1 1 1 1 203.0776 *203.1141* 203.1141@3.292502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6098 5787 1 1 1 1 1 1 1 1 1 1 203.1141 *203.945* 203.945@0.92800504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2145 2294 2961 1 1 1182 1 1 1 1 1 1 2215 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 3348 1 1 1 1 1 1 1389 8969 8835 1 1 1118 1 1 1 1 1 1 1 203.945 *203.9487* 203.9487@0.9425549 1 1 1 1 1 1 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 1997 1 1 1 1 2213 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 1 203.9487 *203.9596* 203.9596@0.6495388 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 1 1 1 1 1 1 1 1 1 1 1 1 1 203.9596 *203.9652* 203.9652@1.9597284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 203.9652 *203.9657* 203.9657@1.6619704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1469 1 1 1 203.9657 *203.9657* 203.9657@1.232929 1 1 1 1 1 1 1 1 1 1 1 1 1 2765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.9657 *203.9697* 203.9697@3.1337128 1 1 1 6014 4339 3369 4494 4111 3320 2554 3838 5939 4217 3180 5377 9490 2670 1 3246 3201 4853 1983 4440 4951 4643 3004 1 1 3713 1 6027 3650 1 1875 1 2502 1595 1 2016 2417 1 2667 1 4209 1 1 3726 4000 2306 3004 1 1 1 1 1 3672 1 1 1 3150 1 1 2510 2624 1053 1 1 1 1 1 1 1 3019 1 3187 5628 1 1 1 1 1 1 1 1 1 1575 1 1 1 1 203.9697 *203.9713* 203.9713@1.4606086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.9713 *203.9717* C6 H4 O6 S 15740 14675 18669 18831 22760 22769 21468 23534 19985 19735 20423 22508 18700 21204 19839 20651 18099 18767 17938 17441 18705 17240 33397 33043 16181 16889 12958 12741 16799 16915 15585 15047 13379 15396 17477 16295 17211 16583 16150 17650 15572 15985 15941 14952 16012 15730 15274 14585 17524 17393 20221 22618 19424 19365 20294 20287 15284 13612 22688 22945 17737 18414 12629 14528 15061 15259 16355 17395 11232 11141 16420 16842 16877 16828 14887 14164 13721 13422 19448 18270 12187 13560 17859 19181 14457 13135 12696 11381 13845 13861 203.9717 *203.9719* C10 H4 O S2 5712 5159 17124 17293 12925 10557 11449 13761 7013 6531 10559 12345 17334 20555 33576 32474 8170 9872 7615 7204 11304 10200 13097 13568 8794 8996 12712 11108 8153 8517 17149 17145 19320 20550 8851 8771 11352 8810 10664 13140 7621 6756 9678 9937 13533 12790 7776 8051 8029 7147 8159 10640 6445 5108 5528 5980 7421 6412 7516 9442 8339 7593 5304 6198 9976 10831 10579 13981 5738 5802 8047 9223 5115 5614 20834 19334 12643 11806 14084 13697 6833 6102 7613 8551 7449 7464 14644 16187 5822 6493 203.9719 *204.0083* 204.0083@3.326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 204.0083 *204.0089* 204.0089@0.72429335 1 1 1 3006 1 1778 3073 1 1 1 1 1 1845 2023 1 1 1 4434 1 3337 1 1 1 1 1 1 1 1 1 1192 1 1 4125 4282 1 1 2080 1 2046 1688 1 1 1 1 1 1 4892 4002 1 1 1 2158 5250 1 1 1 1 1 1 1 5749 1 1 1 2950 1 3431 3119 6908 6501 1 1 1637 1 2270 1 1720 1242 1 1 1 1 1 1189 1 11524 5516 1 1 1 204.0089 *204.009* C10 H5 Cl N2 O 1 2363 3022 2791 6273 4281 5515 8610 5143 3022 14893 14911 5344 5971 1 2551 7735 4501 7085 4766 4970 4876 1 1 3170 3839 8761 8904 3961 3004 2188 2666 3400 2528 4559 4690 1732 2204 3219 3442 11767 12302 9229 8667 1 3204 10953 10720 1571 1 3660 1906 7987 16995 4925 4908 6768 9258 2443 2732 8307 8034 6952 6844 9833 13319 7247 7793 8821 10058 6730 8304 2406 1668 6590 8905 5345 4787 7753 7712 37633 38319 3024 2706 17171 14976 2616 5465 2877 2411 204.009 *204.0129* 204.0129@0.80499953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 204.0129 *204.0271* 204.0271@6.817819 1 1 1 1 1 1 1 1 1 1 2133 1 1 1425 1 1 1 1 1 1762 1 1 1 1 1 1 1 1565 1 1 1 1 1 1 1 1 1 1 1 1301 1446 1 1 1 1 1 1 1 1 1 3114 2639 1 1 1848 1 1 1493 1 1 3096 3393 1 2212 1 1 1 1447 1 2122 4459 1 1 1 1933 2274 4452 6222 4855 4686 5475 1 3208 1 1 1 6609 7115 4008 3363 204.0271 *204.0336* 204.0336@1.8381898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2318 1 1 1 204.0336 *204.0341* C7 H9 Cl N2 O3 1 1 1 1 1 1 1885 3120 1 1 1 1 1 2993 1 1 1 1 1 1 1 3395 4211 3965 1 1 4317 4435 1 1 1 1 1 1029 1 1 1 1 1 1 1 2394 1 1 1 1 1 1 4872 4587 4577 2781 1 1 1 1614 1 1 2717 2565 1 1 1 1 1 2023 4416 4747 1 1 1 1 1 1 1 1 1 1 1 1 4260 3628 1 5889 1803 3017 1649 2839 3374 1 204.0341 *204.0402* 204.0402@2.0875413 1 1 1 1 1 1 2563 1 1 1 1 1 1 1 1 1 1 1 1865 1 1 1 1833 1232 1 1 1 3825 3515 5682 1 1 1 1 1 1 1 1 1 1 1 2157 1 1 1 1 1 1 1 3265 1 1892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1356 4106 1 1905 1 1 1 1 204.0402 *204.0412* PYROGALLIN 2739 5133 3236 4587 3080 3020 6066 1 3761 3242 4183 4590 11124 10208 6506 6918 5562 5779 11674 10872 9262 10259 14220 11558 6413 5544 9379 11363 15598 17605 3966 3731 4663 4008 3908 3372 3479 3308 3958 3938 5929 6696 4973 3604 5200 3265 1969 2429 14122 15078 14630 13805 4526 8034 10799 1 5915 5294 7411 9681 3562 1982 4086 2693 4065 1 11016 4126 4018 1 2367 1 4209 3594 2420 3173 4115 5098 2217 1 11280 11400 15675 12884 6729 5365 10227 11787 3574 13475 204.0412 *204.0437* 204.0437@1.9455575 1 1 1 1 1 1 1 5710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4629 1 1 1 3565 1 8163 1 4109 1 1283 1 1 1 1 1 1 1 2118 1 1 1 1 1 1 1 1 1 1 204.0437 *204.0724* 204.0724@2.3465471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4877 2962 1 1 1 1 1 1 1 1 1 1 204.0724 *204.0729* 204.0729@1.4686723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6071 6346 1 1 1 1 1 1 1 1 1 1 204.0729 *204.0741* 204.0741@2.7218034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6789 6202 1 1 1 1 1 1 1 1 1 1 204.0741 *204.0745* 204.0745@2.156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 204.0745 *204.0764* 204.0764@1.697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 204.0764 *204.0801* 204.0801@1.968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7657 1 1 1 1 1 1 1 1 1 1 204.0801 *204.0831* 204.0831@1.9656346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6638 1 1 1 1 1 1 1 1 1 1 1 204.0831 *204.0854* 204.0854@2.0442624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7730 6688 1 1 1 1 1 1 1 1 1 1 204.0854 *204.0899* Tryptophan 1251 1 1783 1756 1121 1 1 1691 1 1 2173 2115 1987 1794 1815 2093 1967 1826 1550 1659 1571 1490 1 1 1319 1 1110 1 1 1 1920 1880 1 1116 1 1 1 1 1802 1782 2029 2255 1247 1397 1 1 1272 1515 1 1 1088 1335 1 2066 1 1388 1764 1483 1131 1 1 1 1698 1718 2227 2177 1 1 1503 1 1 1194 2241 1981 1384 1480 1332 1 1253 1232 1 1 1 1 1 1 2452 2339 1 1 C00078 204.0899 *204.9094* 204.9094@1.0233588 1 1437 1992 2280 1 1 1435 1 1 1 1 1 1230 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 1329 1 1 1 1108 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 1 1 1 1 1 1 1 1 1 1 1 204.9094 *204.9695* 204.9695@1.9722433 1 1 1 1021 1 1 1268 1 1 1 1 1 1 1 1073 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 1 204.9695 *204.9734* 204.9734@1.9635653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 204.9734 *205.0212* 205.0212@1.5340152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.0212 *205.0256* 205.0256@1.8832614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1994 1 1 2766 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 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 2329 3237 4010 3374 1 1 3167 1 1 1678 205.0256 *205.028* 205.028@1.8727622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1060 205.028 *205.0549* 205.0549@1.9716659 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.0549 *205.055* 205.055@1.5401208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5654 3137 1 1 1 1 1 1 1 1 1 1 205.055 *205.0565* 205.0565@1.642046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3684 1 1 1 1 1 1 1 1 1 1 205.0565 *205.0624* 205.0624@2.8375766 1 1 1 1 1 1 1729 1403 1 1 1 1 1 1802 1 1 1 1 1 1 1 1 1 1 1 1 1465 1 2593 2432 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 1 205.0624 *205.0631* C5 H11 N5 O2 S 1 1 3483 1 1 1994 2524 1 5108 1 1 1 4850 4663 1 1 6097 3541 1 1 4556 7708 1301 2630 6203 6590 7723 8925 5598 1 1610 1757 1 1314 1 2628 1 1 1 1 1 5110 1 1 1 1 1 1 2724 4879 7884 8519 4353 3386 5925 6403 1 1834 4757 1 7605 7007 1379 1 1 7079 7101 8482 1 1 3328 6593 3700 8511 1 4207 7268 7320 3505 5312 4803 7520 9174 9552 1 6702 2365 9628 1407 4606 205.0631 *205.0631* 205.0631@2.4016294 1 1 1 2121 1 3251 1 1692 1 1 1 3046 1 1 1 1 1 1 1 1 2791 1 3642 3120 1 1 1 1 1 5877 2992 1 1 1 1 1 1 1 1 1 2448 1 2873 3186 1 1 1 2359 2951 1 1 1 1 1 1 1 1 1 1 1636 1 1 1 1 1 1 1 1 1 1 2541 1 1 1 1 1 1 1 6857 5923 1 1 1 1 6357 1 6369 1 7400 2491 205.0631 *205.0639* 205.0639@1.9622215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4213 4113 1 1 1 1 1 1 1 1 1 1 205.0639 *205.0646* 205.0646@2.4409692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2310 1 1 1 1 1 1 1 1 1 1 1 205.0646 *205.9768* 205.9768@6.193261 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.9768 *205.9781* 205.9781@4.2379656 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.9781 *205.9908* 205.9908@0.7207694 1761 1930 1 1 1737 1896 1 1 1 1 4116 3829 4878 5233 1 1 1 1 1907 2134 1 1 1 1 1 1 2983 3040 2026 2285 1 1 1 1 1600 1 1 1 1 1 1 1 1 1 2678 3013 1 1 1 1 1 2358 2823 3225 1 1 1 1 1 1 1666 2029 1 1 4169 4112 1 1 4713 3934 2177 1778 1 1 2997 2968 3327 3748 3632 3744 1 1 3524 3142 3490 1 2970 3065 1 1 205.9908 *205.997* 205.997@0.71995485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 205.997 *206.0015* 206.0015@1.3886412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 206.0015 *206.0235* 206.0235@1.8622564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 206.0235 *206.0252* 206.0252@6.8154645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1639 1127 1 1 1723 1295 1 1 1195 1408 2031 1836 1 1 206.0252 *206.0264* 206.0264@1.886491 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 2937 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 1 206.0264 *206.0399* 206.0399@1.1690639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1937 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.0399 *206.0494* 206.0494@1.9343268 1 1 1 1 1 1 1 1 1 1 1 1 2748 1 2464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 206.0494 *206.0523* 206.0523@1.9684818 1 2187 1 2359 1 2360 1 1 1 2595 2603 2833 1 1951 1 1 1 1 1 1 1 1 1 3193 2032 1 1 1 1801 2186 1 1 2911 1 1 1 1 1 1 1 1 1 2670 1 1 1 1 1 1 3032 1 1 1 1 1 1 2069 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 1 206.0523 *206.0541* 206.0541@2.8937757 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 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 1 206.0541 *206.0556* C7 H6 N6 O2 2611 1 2814 1 2721 1 3144 3335 2449 1 1 1 1 1 1 1 2959 1 3311 2838 2382 2938 1 1 1 1 2755 2611 1 1 2696 1786 1 1 1 2824 3288 2317 2701 1 3177 2362 1 1 1 1 3169 1678 2297 1 3716 3430 2675 3342 2953 2663 1 1 2785 2995 2601 2680 4302 2828 3619 1 3205 2781 2176 1 3485 3090 1 2326 1649 2015 2482 2623 7104 8498 3299 2612 2715 3221 3152 2799 4265 2834 4235 4132 206.0556 *206.0579* EUGENITOL 3689 4889 3756 3728 6643 5821 6346 6880 4889 4055 4491 4032 5917 5847 3502 3950 4055 3235 4974 5690 5872 5208 5472 4766 6292 6572 5669 5918 10550 9189 4543 3635 2658 1491 3950 4678 4387 4396 3551 3153 3939 4111 4347 5253 4548 5226 5348 5121 4663 4071 1 1 1 1868 1 1 2836 2981 2729 2841 2243 1 2947 3386 1657 1 1 1 2951 1 1 1 3772 5023 1877 1 1 1 1 1 1 1 1 1 1 1 1 1 1758 1 206.0579 *206.0585* 206.0585@2.3298297 1 1 1 1 4288 1 1 1 1 1 1 1 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 3650 1 1 1 1 1 1 1 1 1 1 1 1 1 5090 1 206.0585 *206.0592* 206.0592@2.4048123 1 1 8016 4112 11122 1 17777 12837 1 1 9443 1 1 8493 7191 3206 8602 1 6270 7141 1 1 1 1 13589 1 15814 16448 1 4413 7804 1 1 1 1 10171 5726 1 1 5610 10282 1 1 8258 1 1 7831 1 10440 7651 14886 1 1 1 1 1 1 3488 6305 1 1 9256 1 1 16413 11759 1 1 1 6126 9248 1 11180 1 5838 1 1 1 14598 1 9150 1 1 14515 1 15739 1 1 9653 1 206.0592 *206.0593* CITROPTEN 12155 13817 4805 9756 3142 6276 6873 10789 6421 14566 5544 13175 15928 6008 3751 4191 9140 17971 3260 3029 22197 26571 9965 9513 6173 22055 8248 8408 18386 12990 5925 15381 9450 7555 15693 6053 2659 5543 11006 6677 6113 16254 14041 5371 9169 8554 8117 3175 7696 5547 17846 31138 12910 12675 12732 20610 4448 10666 9004 13676 24661 15086 3556 8086 8074 12568 26048 25372 12333 7405 10762 20135 11570 23362 3952 14269 23152 21637 28376 9620 16165 26168 29835 15808 18979 6185 31941 33688 14853 20902 206.0593 *206.077* 206.077@1.6245624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5483 4872 1 1 1 1 1 1 1 1 1 1 206.077 *206.8461* 206.8461@1.0982873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1240 1431 1 1 1 1005 1 1 206.8461 *206.9075* C3 H4 Cl3 N O S 2546 2401 4189 4391 2125 2033 2549 2586 2047 2387 2035 2175 2573 2899 2091 2005 1485 1429 1867 1904 1742 2164 2368 2090 1726 1698 1518 1476 1782 2125 1781 1784 1477 1431 1923 1936 1846 1732 1829 1758 2388 2264 2403 2190 2561 2820 2354 2408 1 1912 1607 1678 1529 1547 1710 1510 1665 1765 1180 1283 1841 1 2794 2558 1645 1493 2515 2374 1390 1 1440 1 1627 1814 1789 1890 1671 1710 1 1655 1 1013 1 1 1557 1236 1681 1491 1 1102 206.9075 *207.0298* 207.0298@1.9504932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1234 1380 1 1 1624 1 1 1607 1 1 1734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1341 1 1093 1 1253 1185 207.0298 *207.0367* 207.0367@1.9538251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1372 1 1 1 1 1 1 1 1 1 1 207.0367 *207.0525* 207.0525@1.1930776 1 1 1 1 1 1 1391 1789 1 1 1322 1442 1792 1515 1 1281 1357 1822 1424 1477 1 1 1250 1232 1 1 1 1 1 1 1 1 1 1 1 1044 1 1 1060 1012 1915 1909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1083 1239 3500 3622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3044 1 1 1428 1220 1 1 2177 2171 207.0525 *207.0533* 207.0533@2.1318672 1 1 1 1 2181 1 1 1 1 1 1 1 1 1 1 1 1 5600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7084 1 1 3015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14254 1 1 1 2984 1 1 1 1 1 1 1 1 1 9983 9408 11911 1 1 1 1 7141 1 1 1 1 1 1994 1 1 1 207.0533 *207.0555* 207.0555@2.1137311 1 1 1 1 1 3541 1 1552 1 1 1 1 1 1 1 1 8387 1 1 1 2863 3623 1 1 1 1 1 1 1 1 1 1 1 1 3403 3179 1 1 1 1 3089 10025 2854 1 1 1 1 1 1 1 10198 7368 4489 5247 1 1 1 1 17861 5085 2645 4027 3493 1 11256 14310 4965 1 1 1 4090 3391 12029 3858 3864 1 1 1 5594 4615 4349 8449 1 2004 3224 3832 4017 5421 3995 3719 207.0555 *207.0618* 207.0618@2.0849617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207.0618 *207.069* 207.069@2.0653663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3834 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 1 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 1 1 1 1 1 1 1 1 3328 1 1 207.069 *207.0751* Dihydrolipoamide 2924 3166 1713 1910 1 1 2161 2031 2306 2628 1 1 2496 2441 3376 3598 1 1 1902 2074 2489 1 3122 2958 2335 3217 2478 2184 2957 2451 1 1575 1 1 1 1 2639 1604 1 1599 1440 1296 1 1 1 1 2160 2155 3887 3641 2911 3166 3375 2524 1 2968 1 1 1256 1 4703 3683 2155 2625 1755 1 2740 1 2077 2126 1 5527 1 1 1 1278 3589 3638 2972 2783 1815 4094 1 1432 1849 1137 1 1 1 2129 HMDB00985 C00579 207.0751 *207.0886* 207.0886@3.3504763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6751 7916 1 1 1 1 1 1 1 1 1 1 207.0886 *207.8606* 207.8606@0.7586737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3285 3067 1 1 4685 4913 1 1 1 1 1 1 1 1 1 1 1 1736 1536 1539 1 1 207.8606 *207.9792* 207.9792@13.157367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2707 2138 1 1 1 1 1 1 1 207.9792 *208.0125* 208.0125@3.5853953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3977 4231 1 1 1 1 1 1 1 1 1 1 208.0125 *208.0185* 208.0185@0.97615373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 208.0185 *208.0194* C7 H10 Cl2 N2 O 1694 1592 1754 1899 1528 1908 3966 4059 1333 1420 1893 1799 1 2096 4540 4687 3613 4416 1 1 3369 3818 1508 1279 2592 2168 2506 2286 2752 2705 2892 1 2675 2218 1295 1 1211 1 1297 1143 1612 1812 1 1203 3131 2573 1123 1 1 1368 2525 2478 1310 1048 1119 1379 1917 2016 2804 2452 1 1183 9544 9780 2644 2781 1 1 1407 1499 1341 1498 1 1 1 1 1 1000 1 2760 1410 1290 1598 1435 1630 1676 1 1 5241 5583 208.0194 *208.0205* C10 H8 O3 S 7171 9301 1 7496 1 6701 10067 10880 6726 6279 9887 7736 4860 6883 1 6220 9802 6829 7326 5140 9274 8977 8487 7329 8263 7643 1 6485 5308 5611 5774 1 1 7072 10804 1 1 7193 1 5764 10189 9519 5832 8907 5230 1 11597 1 6206 5554 7611 7083 11279 11394 1 7119 5995 6974 8116 8486 9919 16771 8738 9478 1 9473 7142 6845 1 5366 1 8762 1 7232 9415 8128 7257 6874 9009 9160 8277 8996 7402 6464 7178 6509 7102 1 9051 9757 208.0205 *208.0207* 208.0207@2.0673816 1 1 1 1 1 4170 1 1 1 1 1 1 1 3043 1 1 1 3800 1384 1 1 1 1 1 3062 1 1 1 1 1 4365 1 1 1 1 1 1 1 1 1 6104 1 6383 5403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 208.0207 *208.0221* 208.0221@2.9969165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2129 1 1652 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 3028 1 1 1 1 1 1 1 1 1 1 2003 1 1 1 1 1 2240 1 1 1 1 1 1 1 1 1 2499 1 1 1 1 1 1309 1 1 1 1 1 1 208.0221 *208.023* 208.023@3.064977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.023 *208.0254* 208.0254@1.6355553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3181 3482 1 1 1 1 1 1 1 1 1 1 208.0254 *208.0488* 208.0488@1.1715635 1 1 1 1 1 1 1 1 1 1 1 1025 1 1 1 1 1 1 1 1 1 1 2893 2025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.0488 *208.0495* 208.0495@1.4664733 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.0495 *208.0526* 208.0526@1.8814315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 208.0526 *208.0555* 208.0555@1.4587984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1766 1 1 1 1 1 1 1 1235 1 1 1823 1669 1 1569 1 1 3901 4049 2324 1773 2412 2400 1 1 1 1732 1 1 1 1 2756 2838 1 1 3030 3057 1 1 1 1 208.0555 *208.0687* 208.0687@2.1007717 1 1 1 1 1 1 1 1 1 1 1 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 1 208.0687 *208.0734* 208.0734@2.0743191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 208.0734 *208.0739* 2,5-Dimethoxycinnamic acid 11727 11722 7821 7212 3104 2858 7389 7482 8789 9901 6628 6543 9091 8815 15327 14349 30482 28658 8305 8213 11447 10925 10742 10344 9683 9699 9047 8663 9916 10021 7010 6281 1 1 5099 5186 8742 9121 5629 6192 9993 18588 1 2000 7159 6691 9246 8892 29695 14616 30006 29363 12043 26931 20374 19803 6363 6474 14143 11071 19035 17963 9635 9928 12394 12664 13630 13395 9069 9152 21626 19978 5469 6557 8676 8640 13493 13735 16032 15014 38228 17920 9589 9690 8079 8244 10398 11240 21524 12199 HMDB02370 208.0739 *208.0832* 208.0832@3.9933183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3547 3234 1 1 1 1 1 1 1 1 1 1 208.0832 *208.1064* 208.1064@1.634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 208.1064 *208.1139* 208.1139@1.1967835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1642 1745 2341 2251 1 1 1 1 1 1 1435 1568 1 1 1 1 1 1 1 1 1360 1001 1 1 1 1 1 1 1 1 1 1 1909 2378 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 1296 3117 2628 1339 1317 1 1 1 1 2725 2659 208.1139 *208.1459* 208.1459@1.0619847 1 1 1 1 2164 1 2222 1 1 2140 1 1 1 1 1 1 1 2983 2162 1 1 2837 1 1 2514 1 2062 2099 1 2668 1 1 1 1 1 1 1 1 1 1 1 1 1 2451 1 1 1 1 1 1 1 1 1 1 1 1 1 3132 1 1 1 3395 1 1 1 3134 1 1 1 2246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2289 1 1 1 208.1459 *208.843* 208.843@1.100054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 208.843 *208.9052* 208.9052@1.0231124 1022 1 2137 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 1304 1 1046 1 1251 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 1 208.9052 *208.9754* 208.9754@5.596413 1 1 1173 2491 1 1873 1731 2750 1 1 1 1 1 1 1 1 1 1 1785 1128 1 1 1 3042 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 5049 1 1 1832 1 1 1 3171 4115 1 2991 2215 1 1 4341 1 1 1 3980 1 1 1 1211 1 1 1702 3637 3058 1 2372 3087 1 1 1853 1 1 1 3241 1 1 1 208.9754 *208.976* 208.976@5.7347965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2820 1 1 1 3112 1 1 1 1 1 1 1 208.976 *208.9762* 208.9762@5.750237 1 1 3194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3930 1 1 3035 1 1 1 2237 1 1 2785 2927 1 1 1982 1 1 1 1510 1 1 1 1 1 1 3722 2064 1 1 2731 1 1 1 2522 1 1 1 1447 1 1 1 208.9762 *209.0044* 209.0044@1.9652689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 209.0044 *209.0089* 209.0089@1.9680142 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 1994 1661 2448 2222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2432 1782 1810 1861 1 1 1 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 1452 1 1 1 1 1127 1 1 209.0089 *209.0132* 209.0132@1.9758087 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 209.0132 *209.0382* 209.0382@2.9872994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 209.0382 *209.0641* 209.0641@1.652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2351 1 1 1 1 1 1 1 1 1 1 209.0641 *209.0679* 209.0679@3.739854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16362 16280 1 1 1 1 1 1 1 1 1 1 209.0679 *209.1045* 209.1045@1.0356122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2553 2045 8223 8917 1 1 1 1 1 1 209.1045 *209.8571* 209.8571@0.75747436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1895 2271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 209.8571 *209.9419* 209.9419@3.9970639 1 1 1 1 1 2395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1146 1 1 1823 1 1 1 1 1 1 2112 1 1 1 1 1 1 1 1 1 3262 1 1945 1 2796 1 1 1 2390 2947 1 1 1660 1 1207 1 2560 1 2712 4273 2322 2862 1 1 1 2549 1 2620 2910 1467 1 1495 1 1 1 1 1 2693 2583 1 1 4239 1 1 1 1748 1 1 1 2770 209.9419 *209.9426* 209.9426@4.138382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 3574 1 1 1 1 209.9426 *209.9925* 209.9925@2.012702 8400 7482 11433 12630 10620 11167 1144 1835 9626 9641 13238 10512 11874 11927 6596 6047 1 1 1 11109 6282 1310 1 6182 5634 10012 15630 16295 3449 2961 11247 12236 14269 19731 3555 7803 6598 5293 13006 16289 1 1 14181 12790 11719 10960 2046 1847 1 1 1 1 1864 2711 1 1 11587 10905 1 1 1 1 1 1 1 2669 1 1 11650 10313 2633 2268 4328 4565 2849 3526 6028 6962 1 1 4036 1 4825 1 11794 7395 5906 9148 1 1 209.9925 *209.9926* 209.9926@1.691387 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 209.9926 *209.9931* 209.9931@1.1342562 1 1 1 1 1705 1224 1 1 1 1 1 1639 1 1 1 1 1 1 1 1148 1 1 1195 1 1 1 1654 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 1762 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 1457 1 1 1159 1 1 209.9931 *209.9931* 209.9931@2.0290015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8521 1 3529 3017 1 1 1 1 4688 1 1 5031 1 3430 1 1 1949 2868 1 1 1 1 1 1 1 3007 3033 1 1 1 1 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 1 7846 1 1 1 1 209.9931 *209.9932* 209.9932@1.647354 2483 1 1 1 1667 1795 1 1 1 1 1 1 1 2345 1 1 1 1 1 2762 1 1 1 1 1 1 2728 1 1 1 2914 1 1771 3248 1 1 1 1 2512 3355 1 1 1 3211 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 1127 1 1 1 1 1 1 1 3910 1 1 1 1 209.9932 *209.9933* 209.9933@2.9346511 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 1890 2234 1 1 1 1 1440 1 1 1 1 1 1428 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 1 209.9933 *209.9934* 209.9934@1.4027653 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 209.9934 *209.9962* 209.9962@1.1383573 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 209.9962 *209.9995* 209.9995@2.9591124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 209.9995 *210.0002* 210.0002@1.9760643 1 1 1 1 1 1 1668 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 3688 1 2538 2288 1 1 2462 2558 1 1 1996 1 1 1681 1 1 1 1 2726 3550 1 1 1 1 1 1 1 1488 1 1 1 1 1 2749 1 3470 1 1 3127 1 2949 2520 210.0002 *210.0047* 210.0047@1.972185 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 1 1 1 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 1238 1 1 1 1 1 1 1 1 1 1 210.0047 *210.013* 210.013@2.9907784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 210.013 *210.0625* 210.0625@1.623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 210.0625 *210.0723* 210.0723@3.0205963 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 1 1 2518 3102 1 1 1 1 1 1 1 1 4386 6155 1 1 1 5645 1 1 1 1 5856 10025 1 1 1 1 1 3819 1 1 1 4925 1 1 2962 1 1 1 1 5251 210.0723 *210.0725* Sedoheptulose - 2.968789 1 1 2609 3263 1 1 1272 4011 1 2229 1 1 1 1 1 1 4377 3856 4071 2326 1 1 2964 4448 2932 1 1 1 1 1 3720 3738 1 1 4791 4444 6627 7766 4742 5479 4983 2167 1 1 1 1 5832 5699 3540 2144 2917 5363 8139 7322 5625 5553 3044 3831 6279 6827 4337 4198 6752 7011 7560 2083 1812 1 4954 4924 12702 7260 1 1 5414 1985 9714 6796 10916 10272 7473 5811 6419 6659 9513 11810 6715 6333 7227 2996 HMDB03219 C02076 210.0725 *210.0726* 210.0726@3.055975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 210.0726 *210.0731* Sedoheptulose 14180 14275 1 13201 4273 5349 7709 7952 1 14937 13175 1 12333 12581 1 1 1 1 13614 1 1 12012 12968 13779 16729 16384 20392 1 10228 11892 1 14105 2533 2371 8947 9235 17656 17786 16788 16804 8585 1 5035 4721 16630 1 16550 1 1 1 1 1 12583 1 1 1 13034 14966 13906 11921 1 1 12964 12010 16017 15273 1 16975 1 20792 1 1 1 6887 7720 10435 16179 16833 18429 17407 1 18158 8188 7170 14069 12233 14431 14616 1 9589 HMDB03219 C02076 210.0731 *210.0738* 210.0738@2.6427422 3551 3930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2691 1 1 1 1 1 1 1 1 1 1 210.0738 *210.0757* 210.0757@1.0905004 1 1 1 1 1 1 1 1 1 1 1 1 2198 2846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1715 1674 1 1 1 1604 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 1 210.0757 *210.0901* 210.0901@1.1658709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1083 1457 1 1 1 1 1 1 1 1 1 1 210.0901 *210.1599* 210.1599@3.3214428 1 1 1 1 1 1 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 2210 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 1 1 210.1599 *210.16* 210.16@1.1637102 1 1 1 1 1 1 1 2549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1344 1 1 9223 9988 1 1 1 1 1 1 1 1 1 1507 1 1 1 1 1 1 1 1 1 1 1193 2529 1 1 1 1 1 1 1 1128 1 1 1 1 1 1 8547 8423 1 1 1 1 1 1 1 1 1 2630 1 1 1549 1800 1 1 1 1 1859 2090 210.16 *210.1608* 3E,5E-tridecadienoic acid 2610 2482 2805 2790 2557 2529 1650 1 1 2617 1 2321 1696 1731 2761 2433 3023 4088 2415 2790 2596 3806 5252 5271 1547 1780 1351 1 3564 2760 1240 1323 7186 9031 10451 9051 8112 8429 3581 3111 5449 5132 2586 2461 3821 3344 3820 3276 2748 3584 7840 8170 9698 1393 6799 6564 6241 5922 4472 5192 4089 4769 2968 2990 5633 6606 6936 6422 1780 1911 4651 4509 3683 4913 3169 3019 2959 2468 7869 6689 8048 7640 5635 5627 3647 3427 7596 6741 6724 7358 210.1608 *210.1611* 210.1611@1.2768408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 210.1611 *210.1612* 210.1612@1.1199985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.1612 *210.966* 210.966@0.9285196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1838 1 1 1 1 1 1 1 1 1 1 210.966 *210.9759* 210.9759@0.9357563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 210.9759 *210.9974* 210.9974@1.9698206 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.9974 *211.8416* 211.8416@0.74591017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 211.8416 *211.9896* 211.9896@2.0339892 1 1 1881 1 1 1 1 1 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 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 2309 1 1 1 1 1 211.9896 *211.9922* 211.9922@2.0219166 2898 1 1192 2228 1 1 1 1 1 1 1 1 1 1765 3947 1998 1 1 1 2471 1372 1 1 1 3708 1 1 1 1 1 2400 1 2108 1 1 1974 1 2202 4041 2796 1 1 1 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 3122 1 1 3140 1 1 211.9922 *211.9966* 211.9966@1.9710721 1 1 1 1 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 2688 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 1052 1 1 211.9966 *212.0039* 212.0039@0.8017033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2465 1863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.0039 *212.0366* 212.0366@1.0294602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1630 1 1 1 1 1 1 1 1 1 1 212.0366 *212.0449* 212.0449@1.0328829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 212.0449 *212.0677* 212.0677@3.2062564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18547 17075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.0677 *212.0709* 212.0709@1.1918579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1139 1 1 1 1 1 1 1 1 1 1 212.0709 *212.0884* 212.0884@1.8146806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 212.0884 *212.0901* 212.0901@1.7183437 1 1 1 1 5492 5523 5112 4207 1 1 1934 3977 3116 4793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4108 1 1 1 1 1 1 1 1 1 1 1 5718 6169 1 1 1 1 1 1 6041 5966 1 1 1858 8371 1 1 4998 6416 1 3298 1 8596 6836 7423 3998 1 6994 7498 1 1 1 1 10542 6988 1 1 1 1 212.0901 *212.0955* 212.0955@1.6227996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.0955 *212.103* 212.103@1.1460708 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.103 *212.1036* (+)-Bornane-2,5-dione 2142 2050 1780 1913 1320 1963 1560 1913 2573 2931 1818 1498 1714 1 1853 1816 2047 2455 1936 2012 3930 3974 5897 5925 2110 1744 1619 1447 3726 3481 4985 4693 2561 2792 2411 2250 1615 1836 1 1 2173 2022 1 1 1 1 1 1 1 1 2381 2387 4190 3882 1 1 1 1458 1 1 1 1 1 1 1 1 1 1 2411 2319 1 1 1 1 1222 1 1 1 3274 3299 1862 1829 1 1530 1 1 1706 1742 2316 2489 C03037 212.1036 *212.105* 212.105@1.1430438 1547 1689 1382 1615 1299 1759 1163 1 1 1 1375 1228 2455 2884 1451 1408 1 1133 1640 1592 1 1 1 1060 1745 1711 1779 1383 1603 1786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.105 *212.1291* 212.1291@1.0442858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2046 1 1 1 1 1 1 1 1 1 1 1 1 212.1291 *212.1405* 12-oxo-10Z-dodecenoic acid 2776 2370 2098 2451 2602 2861 2486 2076 2327 2157 2805 2426 2562 2606 2568 2903 2624 2571 2500 2712 3026 3605 4997 5068 3381 3333 2527 2450 3901 4132 6403 6117 5616 5129 3274 3609 1948 2110 2140 2298 3212 2678 1939 1512 2192 2437 1711 1921 3229 3544 5124 6089 7926 8065 2880 2936 4125 4248 1582 1791 3025 2823 1 1 1 1182 1 1 2179 2027 1 1 1 1 1271 1541 1 1 3958 4427 1930 1998 2610 4295 1404 1 1896 1714 1446 1215 212.1405 *213.0095* Indoxylsulfuric acid 2994 3166 3185 3409 8454 7780 4895 5014 1504 1302 3173 3309 4048 3903 1516 1585 5932 5664 3601 3915 3799 3963 1519 1571 1 1361 8807 8817 2560 2430 1 3653 9202 9675 5763 6800 4216 4259 5427 5357 2278 2325 4122 4087 1 1 4382 4420 3126 3148 1 1 2497 2666 3936 3942 3259 2449 5423 4689 12948 13822 1446 1561 5174 5804 7349 7004 4949 4652 3220 3283 7010 7947 4412 4202 3549 3254 2506 2583 5738 5370 2670 1 3673 1 10289 10240 2562 2753 213.0095 *213.0666* C10 H7 N5 O 1 1 1804 1580 1 1361 2961 2799 2074 2023 1323 1 3079 2066 2494 2541 1 1 6118 5650 9430 9658 1738 1888 2108 2190 5662 4951 2314 2105 6326 6322 5114 5106 1679 1640 2940 1962 3611 3677 1 1 1374 1809 1 1 2098 2259 5142 4809 1354 1636 1891 2286 1 1 2672 2973 1106 1031 1 1 3445 3160 1483 1327 6690 1 3528 3439 1 1 1 1 1 1 1 1 1 1656 1 1 1 1444 2135 1 1071 1268 1 2304 213.0666 *213.0867* C7 H11 N5 O3 3788 3137 2881 2646 2070 2333 2961 2753 3005 2887 2812 2403 2214 2509 2217 1753 1 2107 2327 2095 1866 1889 1447 1782 1315 1422 1 1664 1 1186 1 1 1542 1 1319 1496 1 1 1287 1380 1125 1254 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 1 213.0867 *213.9179* 213.9179@0.69910675 3589 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213.9179 *213.9849* 213.9849@1.0838774 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 213.9849 *213.9866* C6 H2 N2 O7 1041915 1050330 1003677 1015273 1059750 1082106 1053081 1066666 962871 972915 1019550 1015415 1097893 1076420 1042144 1053824 1109918 1117411 737899 760408 896955 899166 839726 875447 940386 937297 951916 933590 747884 753441 978552 1007472 1086010 1075472 1097930 1095793 981992 994930 983666 993740 946588 946774 1001987 986322 1023321 1016304 982788 930662 940729 910693 1113734 1109049 1078236 1064794 942764 951946 1087344 1077602 942223 932730 918768 929250 841579 865728 1183205 1158957 1002097 1024051 849909 856001 635904 645093 918855 899425 792295 793957 736615 741133 407177 396232 915220 944737 851915 864795 845776 847106 829514 833643 922548 922803 213.9866 *213.9873* 213.9873@1.1215249 1 1 1 1 1 1 1 1 1419 1879 1 1888 2188 1 1 1 1 1 1 1566 1 2550 1323 1 1 1 2392 1 1 1 1369 1 1 1 2087 1 1401 1 2272 1 1 1 2978 1 1 1 2279 1 1 1 1 1281 1 1 1 1094 2419 2018 1 1540 1 1 1 1851 2405 1 1 2206 1 1106 1 1 1 1 1 1 1 1 1 2324 1 1 1 1 1 1 1 1273 1 1079 213.9873 *214.0039* 214.0039@3.096186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 214.0039 *214.0182* 214.0182@5.84507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 214.0182 *214.0193* 214.0193@1.2834499 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1696 1562 1 1 1 1 214.0193 *214.0278* 214.0278@1.1981277 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 1583 1607 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 1374 214.0278 *214.0544* 214.0544@6.875045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 214.0544 *214.055* C14 H11 Cl 2600 3341 2546 2675 3179 3253 2878 2808 3128 2969 4307 4227 2852 3290 3127 3419 1 2886 3907 3566 3432 3220 2984 1 3945 3925 3414 3467 2713 2492 3563 3149 3388 2814 1 2048 3177 2691 3370 3562 4227 4199 2337 2519 3138 2681 1 2081 2879 2672 6911 2135 1 6220 3727 3579 2892 3720 2053 2431 7032 1 3974 3396 4888 3454 4071 3758 3746 4051 7263 8402 1 2760 4083 4091 7730 2572 1 1 2094 7987 6455 1 6338 7253 9469 2599 6501 6927 214.055 *214.061* 214.061@1.0728183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2215 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.061 *214.0639* C9 H6 N6 O 3554 3362 7919 7856 6767 7171 12100 11227 7929 7181 5577 5765 10487 10088 9234 9669 5578 5553 21631 22053 35647 35711 8126 8177 7490 8113 20002 20270 8952 9263 22154 21825 21471 18063 7355 7879 8886 9507 13039 13686 4499 3757 7294 7183 5769 6188 8123 8013 19701 19680 5264 5548 7028 6890 6768 6806 10254 10746 6118 6255 5221 5216 12519 12430 8353 7780 24143 25321 16828 13830 3500 3455 4346 4336 2989 3119 3855 3846 5098 5635 3007 3377 4871 4746 7487 7297 8214 8054 8278 8503 214.0639 *214.0814* 214.0814@1.6145687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3538 3019 1 1 1 1 1 1 1 1 1 1 214.0814 *214.1075* C8 H14 N4 O3 1 1 12995 15508 1 1 1 1 11584 12146 14559 12454 1 1 1 1 1 1 10429 10852 13102 12716 12056 12800 14400 13021 12329 13940 10765 9085 13259 14429 1 1 1 1 14667 13878 15095 15652 12778 14967 15299 16400 14897 12547 12597 12467 14244 13872 1 1 1 1 11985 15280 1 1 15284 12457 14436 14020 11366 12465 1 1 12562 13903 11027 10636 8355 7480 12144 12145 12383 10921 1 8326 4555 4085 11947 10468 11539 10770 11381 12066 12003 12865 11807 14238 214.1075 *214.1239* 214.1239@1.162752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 214.1239 *214.1292* 214.1292@1.141 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 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 1 214.1292 *214.159* 3-oxo-dodecanoic acid 1 1 1 3987 1 1 1 1 1 1 1 3921 1 1 1 1 1 1 2928 2644 3412 3453 3465 1 1 1 1 2821 2946 1 1 1 1 1 1 1 3613 1 3977 1 1 1 1 1 4660 3494 3729 3639 1 1 1 1 1 1 1 1 1 1 3787 3702 1 3487 1 1 1 1 1 1 3197 1 1 1 3377 3651 2640 1 2862 1 1 1076 3192 3457 3800 2909 1 3727 1 3140 3380 3360 214.159 *214.1592* 214.1592@0.89305073 1 1 4404 1 1 1 1 1 3493 1 4103 1 1 1 1 1 1 1 1 1 1 1 1 2698 3292 3001 3633 1 1 2732 3959 3778 1 1 1 1 1 3988 1 3858 3063 2989 4061 3103 1 1 1 1 3722 2326 1 1 1 1 3269 3010 1 1 1 1 4565 1 2923 3104 1 1 3843 3515 1 3081 2436 2091 1 1 1 2876 1 2569 1 1 1 1 1 1 3810 1 3048 1 1 1 214.1592 *214.209* 214.209@0.8963145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 214.209 *214.2232* 214.2232@0.8962674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.2232 *214.2383* 214.2383@0.8935889 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 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 1 214.2383 *214.2479* 214.2479@0.89357877 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 214.2479 *214.2528* 214.2528@0.89487106 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 1221 1550 1 1 1 1 1 1192 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 1076 1257 1217 1 1 1 1 1 1 1 214.2528 *214.8865* 214.8865@1.2743515 1 1 1 1 1 1065 1 1 2052 1 1 1441 2192 1960 1 1 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 2264 2168 1 1793 1 1 1311 1 1 1 1 1 1 1 1 1 1 1 1402 1 1 1269 1 1670 1 1 1148 1 1 1 1 1 1 1 1 1 1 1 214.8865 *214.9706* C7 H5 N O3 S2 18144 19160 87271 88751 20712 21550 22039 22385 35616 35504 92672 94090 61908 62412 29880 29404 46972 47686 48498 45229 59699 58610 35398 36578 56455 55376 52658 51115 104485 102552 32143 31966 1 1 38129 37391 78062 78875 15318 14907 20628 20366 191792 190102 63050 63325 83203 84447 14031 13353 26883 26731 38099 40398 68353 68335 76950 78207 39799 39451 26673 25541 86829 86191 49652 48547 1 1 63241 61619 161328 158513 23267 23121 25787 24904 43859 45374 92734 91115 61002 60516 45881 46327 77474 77596 26887 27422 15488 15898 214.9706 *215.0402* 215.0402@5.7459683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2356 2154 1 1 1 1 1443 1543 1208 1117 1649 1759 1 1 1977 1808 1028 1 1140 1155 215.0402 *215.0805* KINETIN 2517 2497 5540 5338 4449 4056 5489 5343 3724 3809 4482 4807 6695 6405 5502 4853 4474 4967 10260 10343 9186 9517 9498 9883 5923 6062 13613 13207 7482 7203 6539 6847 1 3316 3559 3409 5994 5620 7278 7301 3791 3933 2242 2875 3112 3295 5628 5766 8232 7812 3523 3779 3485 3138 6294 5816 5729 5908 4205 4640 7568 7100 5957 6314 4256 4258 7720 7847 1 2885 1 1 3918 4145 1614 1834 2448 2562 1 4437 2766 2756 3916 4069 2120 2460 3376 3624 4199 4495 HMDB12245 C08272 215.0805 *215.0823* 215.0823@1.5379494 1 1 1 1 1 1 1 1 1 1 1 1 1 2319 2070 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 1 1 1 1 1 1 1 1444 1190 1 1 1 1 1 1 1 1 1 1 1090 1 1 1 215.0823 *215.0832* C10 H9 N5 O 1 1 1 1 1259 1599 1449 1545 1 1232 1132 1339 1 1309 1190 1 1 1 1242 1 1112 1149 4265 4361 1230 1069 1684 1 1531 1463 1 1946 1099 1048 1058 1 1335 1444 1387 1490 1033 1 1 1 1 2165 1215 1536 1399 1667 2008 2315 2262 2179 1659 1671 1 1086 2330 2534 2245 2142 1 1 1530 1484 1608 1 1138 1 1622 1450 1915 2123 1432 1510 2114 1587 3647 3752 1259 1630 2766 2828 2005 2012 1439 1821 2019 1952 215.0832 *215.0832* C9 H14 Cl N3 O 2004 1883 5605 6165 4876 5015 5991 5425 3570 3105 6809 6724 4558 4356 7750 7260 4020 3967 5765 6142 4785 5053 9134 9797 5341 4655 9595 9659 1 1 5899 6435 2511 2233 4099 4389 2056 2067 7021 8031 2975 3058 4152 4743 1 1 2905 2786 6008 5530 9403 9584 4384 3687 7307 7901 7765 7735 3644 3601 8753 8170 3358 2973 8078 7627 7533 7945 1 1 2395 2166 5157 5426 7878 7974 6065 5396 1 1 4305 3605 1 4348 5960 6497 7106 5290 5559 5662 215.0832 *215.0834* 215.0834@3.2699056 1 1 1 1 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 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 1 215.0834 *215.1407* 215.1407@1.6251218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 215.1407 *215.1514* 215.1514@1.2010707 1 1 1028 1053 1 1 1 1 1 1 1230 1020 1 1 1 1 1 1 1221 1550 1 1 1 1 1 1 1262 1094 1 1 1 1 2299 1714 1 1 1083 1291 1 1 1 1 1 1 1804 1891 1 1 1 1 1 1 1 1 1 1033 1 1 1 1 1259 1203 1 1 1 1 1565 1715 1 1 1 1 1 1 1 1 1 1 1189 1 1264 1174 1009 1 1 1 1 1056 1 1 215.1514 *215.9602* 215.9602@1.8987305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1934 1 1 1 1 1 1 1 1 1 1 1 215.9602 *215.9973* 215.9973@1.1914203 1 1 1 1 2642 2667 1 1 1 1 1 1 2773 2497 1 1 6331 6217 1 1 1324 1 1 1 1 1 1 1478 1 1 1 1029 1 1 1 1 1 1 1085 1074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1423 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 1 215.9973 *216.0001* 216.0001@1.1917944 1 1 1 1 1 1 1416 1408 1341 1444 1 1 1 1 1239 1 1 1 1150 1 1 1026 1256 1594 1 1 1460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1100 1024 1 1 1 1108 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 1019 1 1 3096 4273 1 1 1 1 1 1 5532 3101 216.0001 *216.0077* 216.0077@3.5617144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 216.0077 *216.0086* 216.0086@1.1944137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0086 *216.0087* 216.0087@3.6585715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0087 *216.0093* C3 H9 Cl N4 O3 S 1884 2192 1 1 1940 2275 1786 1944 2350 1 1 2489 2075 1850 1844 1604 2558 2118 2716 1 2474 1886 2425 2165 2263 2311 2525 1 3020 1 1741 2126 1941 2193 2189 2724 2677 1 2135 2494 2125 1935 2069 2358 2173 1940 2105 2688 2158 2345 1 2040 2065 2264 2465 1 1 2612 2749 2373 1750 1 1 2231 1 1542 2651 1 1 1 1 2126 2229 2364 2336 1929 2067 2381 2223 3846 1 2114 2428 2525 1 2158 2246 2304 2178 2320 216.0093 *216.0094* 216.0094@4.06796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1903 1466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3539 1 1 1 1 1 216.0094 *216.01* 216.01@3.8356662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3799 1 1 1 1 1 216.01 *216.0117* 216.0117@0.9593228 1 1 2198 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 1825 1 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 2615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0117 *216.0146* 216.0146@1.1579772 1 1 1 1 1 1 1 1 1 1 1 2276 1 1 1 1 1 1 1 1294 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 1313 5794 5822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0146 *216.0163* 216.0163@1.0174124 1 1 1 1 1 1 1 1 1 1 1232 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 2420 1 1 1 2978 3077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0163 *216.0198* 216.0198@1.1764702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0198 *216.0202* 216.0202@1.1214312 1 1 1 1624 1 1 1 1 1 1568 1 1098 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 2643 1 1 1 5312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0202 *216.0208* 216.0208@3.2242322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 216.0208 *216.0286* 216.0286@1.1199405 1 1 1 1531 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 1 1 1 1 1 1513 1 1552 1937 2146 1167 2454 2526 1 1 3536 3129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1580 1 1 1 1 216.0286 *216.0293* 216.0293@1.1624699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5964 5431 1 1 8565 8366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0293 *216.0342* 216.0342@3.5710888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 216.0342 *216.0388* 216.0388@3.4213014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0388 *216.0393* 216.0393@4.013634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 216.0393 *216.0394* 216.0394@2.04799 1 1 4072 1 1 1 1 1 1 1 1 1 1 1170 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 1 1 1 1 1 1 2119 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 1 216.0394 *216.0395* 216.0395@3.0909202 1 9700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8937 1 1 1 1 1 1 1 1 1 1 1 1 4530 1 1 216.0395 *216.0396* Orotic acid 3768 1 2157 7295 1 1 7636 5465 3973 5066 5195 3352 7027 1607 2024 1 3654 1 24391 20259 1 1 1 1 1 7370 9335 7306 1 1 14503 17702 5924 3890 4079 1 7093 4893 6265 6260 5145 1 1 1 2640 1 8401 1 2509 4600 8177 9711 6230 7426 1 1 9433 6349 6231 6969 9493 6055 13985 20329 1 8994 16797 22364 13705 14324 5950 7411 9669 4786 10629 5255 8065 8020 75598 78227 16275 8942 20428 23058 16823 21333 1 19076 23017 19379 HMDB00226 C00295 216.0396 *216.04* C6 H13 Cl O6 182092 394386 136557 206366 1 260366 353322 365702 231041 251184 199014 203675 173147 177220 155862 1 306832 1 1 137021 324198 325392 219852 1 338457 334805 266286 265527 190585 195982 338367 292759 150174 149443 281047 204347 226907 1 171453 194645 281788 299759 255969 250074 1 168196 324488 331778 220136 205936 288198 291902 213021 227260 1 191002 255422 243275 184149 245663 379654 368718 243324 265198 1 392100 1 316691 229106 222234 541615 588335 432256 446798 235271 321784 344463 345022 797462 703842 389778 428989 266116 391472 262140 377170 353656 386495 358571 404106 216.04 *216.04* 216.04@2.8949077 1 7399 1 1 64422 1 82734 113008 1 1 1 1 1 23981 86485 1 1 1 1 1 49627 66703 1 1 100975 1 1 1 1 92396 170731 1 507612 1 1 118062 95119 108797 1 3624 1 1 1 67640 136154 1 116834 63221 81921 18275 200512 196186 1 1 1 1 1 1 1 194863 1 8458 1 1 1 1 147188 1 1 1 1 49721 1 1 94795 1 247352 1 1 49919 74323 68794 89945 1 1 71840 1 76176 1 1 216.04 *216.0405* C6 H13 Cl O6 - 2.7972252 728179 288180 673563 231727 1036093 727872 1079880 904477 288002 269223 657956 582792 579370 1941705 654454 291338 289789 1 905712 938777 802114 885449 619254 503440 1034066 1121805 317462 349247 987458 960769 715837 340431 2177479 1 350957 915445 751361 534777 1 1 291823 587001 689911 1038680 944751 942575 973727 998073 524248 548838 806555 1220036 1 1 1 1 1 1 1 368199 1 1 564415 1 1 1 938942 1 1 1 1 1 1 563998 991737 1 853491 1 1 1301848 1 3332810 1280723 230754 1 1 1359746 2867678 1 1 216.0405 *216.0407* C6 H13 Cl O6 - 2.663505 1981898 2302353 1751088 2078928 2145374 2523646 2308920 2397938 1640213 1704133 2477065 2585399 2185854 13960 2172628 2462350 2913926 2939855 2220477 2078689 2166795 2102475 2614823 2725523 2165253 2169514 1 1 2048251 2004709 2231783 1864931 11938 1939386 2107699 2307478 2400851 1747673 3066081 3345527 2596741 2795851 2432905 2036160 2178848 2338760 2614731 2683648 2560763 2554696 1 2929331 3868435 4003154 3718048 3727960 3330939 3115468 3444297 2883772 4233943 4611365 2689562 3165785 3938078 3948591 2703230 3672080 3457274 3227738 3604030 4718626 3365042 2812301 2196387 3345723 2293102 4225591 4625187 3273332 3317682 25329 3175980 3047062 4860760 4515109 2780720 21111 3165405 3232137 216.0407 *216.0407* 216.0407@2.81113 1 1 1 1 1 1 1 1 1 1 1 1 1 768724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1420114 1 1 216.0407 *216.0447* 216.0447@5.0514555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1647 1 1 1 1 1 1 1 1 1 4845 5206 1 1 1 1 3431 3458 3486 3658 2627 3604 3370 3159 3196 1 3453 2591 1 1941 216.0447 *216.0467* 216.0467@5.0971346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 216.0467 *216.0492* 216.0492@1.8463367 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 4094 2497 1 1 1 1 1 1 1 1 1 1 216.0492 *216.0494* 216.0494@3.2086244 1 1 1 1 3919 1 2267 2343 1 1 1 1900 1 1 1 1 1 7667 2974 1 4766 1 1 3208 1 1 5423 1 1 1 1 1 1 1 3904 3870 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 5079 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 1 216.0494 *216.0545* 216.0545@3.0651324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 216.0545 *216.0601* 216.0601@3.183365 1 1 1 1 1 1 1 1 1781 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 18247 1 1 1 1 1 1 1 1 1 216.0601 *216.0652* 216.0652@3.1167612 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 1 1 1 1 1 1 1 1 1 1 1 1 1 20156 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0652 *216.0752* 216.0752@3.101051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17525 1 1 1 1 1 1 1 1 1 1 1 1 1 3940 1 1 1 1 1 6552 1 1 1 1 1 1 1 6854 1 1 1 1 1 1 1 7814 1 1 1 21663 1 1 19902 36228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0752 *216.0775* 216.0775@3.1665585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0775 *216.0784* 216.0784@1.5380307 1 1 1 1 1 1 1835 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 4298 1 1 1503 1350 1 1 1 1 1 1 1950 1 1 1 1060 1 1 1 1 1 1 1 1 1 1013 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 1 216.0784 *216.079* O-Desmethylnaproxen - 3.1314578 9329 9687 24094 25851 19118 14473 21021 23364 11939 14829 27056 35100 16550 23060 34193 37883 13164 1 25542 25481 20493 13003 35211 31081 24611 20477 48866 39432 13661 14434 24880 23367 9065 12059 16882 17881 6188 1 29916 31419 10888 12798 20154 21747 4638 1 9943 9915 27183 24630 25217 28176 6787 1 29958 32067 23238 1 9769 12564 1 1 10670 1 1 1 17319 25801 1 1 1 1 17199 14045 27068 34034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.079 *216.0793* 216.0793@1.5360523 1 1 2344 2118 1083 1064 1 1 1 1 1 1 3107 3210 9208 9323 1 1 1 1 1138 1259 1840 2054 1 1 2946 2908 1 1 3420 3334 4582 1 1 1 1 1 1963 2167 1 1 1 1 1 2011 1 1 1 1 1 1148 1 1 1 1 1 1026 1 1 1 1 1 1 2138 1901 1 2142 1 1 1 1 1 1 6288 5755 2523 2429 1 3517 1 1 1 1213 1154 1175 5067 4954 1 1 216.0793 *216.0799* O-Desmethylnaproxen 9865 9978 17398 16886 14698 14818 18844 19638 11748 12447 15557 15013 22019 22430 16167 16421 16953 16408 35475 36060 25326 25529 38282 37698 20619 20690 51901 51071 25645 25413 21529 22406 12358 12316 10932 11419 18335 18052 26539 26700 13622 13497 13625 13368 9483 9782 17120 17430 28935 26541 12586 12657 9432 9582 20903 21681 19679 20098 16590 15704 28833 27109 17412 17351 13577 13019 25659 26543 9294 8738 4173 4880 15148 15084 6039 5249 7455 7941 12143 11450 8375 8969 13208 13293 8191 7527 12899 13454 16420 16075 216.0799 *216.0801* O-Desmethylnaproxen - 1.3967192 1495 1 3333 3356 5570 6046 7020 6879 4815 4944 5023 5872 5683 5410 5026 4994 4035 4573 5885 5620 5101 4728 18259 20924 4658 4558 6558 6106 5827 5680 3888 4639 4412 4387 4933 4950 6142 5783 6437 6941 4888 4860 4601 4334 5176 4431 4897 5524 8132 7375 9831 9792 10928 10227 7925 8189 4784 4895 11517 11710 9855 9864 3552 4130 7211 7327 8072 8200 4282 3973 7064 7078 9043 9383 6487 7001 9581 8601 16244 15648 6207 6955 12371 12744 8699 7827 6910 7347 8663 8659 216.0801 *216.1009* 216.1009@1.6265602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5028 1 1 1 1 1 1 1 1 1 1 216.1009 *216.1327* 216.1327@1.194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 216.1327 *216.1553* 216.1553@1.1348939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5595 5147 1 1 1 1 1 1 1 1 1 1 216.1553 *216.1606* 216.1606@2.492892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 216.1606 *216.1625* C13 H25 Cl - 2.668591 1 1 1 1 1 46507 1 1 34143 37579 42826 46682 37012 37146 42457 41168 43254 45678 43455 40185 40972 41613 1 1 45079 46786 35803 40464 36758 40586 43062 42912 1 40119 45146 1 1 1 1 1 1 1 1 38512 47808 44282 1 1 1 49506 1741 25783 1 67758 15369 1 1 44623 1 1 1 1 1 45364 56852 1 1 22309 1 1 76119 73188 1441 1 1 1 1 1 1 1 1 1 1 1 92538 1 1 1 73469 1 216.1625 *216.163* 216.163@2.3990233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1415 1 1 1 2343 4284 1787 1 1 1 1 3936 1 1 1 1 1161 1 6563 1451 1 1 1 1 1 1 1 1 1 216.163 *216.1638* C13 H25 Cl 49121 37195 31377 41589 42516 18105 23301 16295 13767 9190 13243 10618 13595 1173 10477 1062 18134 17019 11477 21149 17539 14445 16849 11872 23576 18701 19781 16802 19799 21192 14617 17482 51904 7360 16635 1 1 19601 1 1 1 10156 45024 19485 14598 17741 1 19068 56510 12966 22326 2194 19899 22991 2600 1 64822 20769 19667 69830 1 27110 1 15622 24703 80642 17020 2032 17267 1 34388 33365 2117 19615 59666 65942 36016 1154 1 23316 103047 1 23995 105239 29339 1 27205 21255 24541 95775 216.1638 *216.1695* C8 H20 N6 O 2943 2891 2834 2707 2478 2540 2686 2937 2827 2582 2346 2609 2451 2588 2760 3183 2518 2953 2587 2576 4144 3998 3515 3572 2794 3204 2346 2247 3674 3568 2579 2586 2101 2205 2172 1765 1978 1700 2147 2278 1711 1952 1722 1672 2038 1926 1724 1824 2341 2602 2395 2474 2278 2320 1797 1637 1596 2291 1570 1947 3893 3837 2247 2522 2269 2446 2739 2792 2757 2532 1727 1721 1764 1967 2263 2339 1876 1935 1 1 2136 2248 1322 1617 2710 2434 2928 2830 2748 2502 216.1695 *216.2078* 216.2078@2.853872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 216.2078 *216.2126* 216.2126@2.7437816 1726 16324 12172 8794 15738 4200 1 4609 3898 5658 14355 12639 9700 3799 16627 8958 17989 21059 14942 12135 4619 4520 1 1 4711 3416 9978 4955 14383 5051 4153 5259 11298 8344 3223 1 4325 1 2268 1 5582 1 3305 6173 14365 4476 1062 8561 18751 2340 8028 9067 1 1 3929 1 13018 19658 5390 24207 1 5575 2576 2699 6430 21465 5719 1 1 1 9155 1 8649 6816 18653 16271 1 11002 9361 7205 32678 1 8264 30938 7498 1 7060 7660 7118 8492 216.2126 *216.2138* 216.2138@2.6974096 1208 1 1 1 1 15882 1 1 13396 1 1 1 1 10596 1 2070 1 1 1 4478 12059 15246 1 1 13605 16284 1 9128 1 10849 16571 16022 2282 1 15261 1 1 1 1 1 1 1 17795 14674 5051 15830 4764 1 1 14996 1191 1 1 1 1 1 1 1 1 1 1 1 1 15629 17847 1 1 1 1 1 20865 1 1 1 1 1873 1 1 1 1 1 1 1 1 32092 1 1 1 21277 21623 216.2138 *216.2138* 216.2138@2.7290971 11380 1 1 1 1 1 1 1 1 1 3837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.2138 *216.243* 216.243@2.723684 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 1 1 1 216.243 *216.2584* 216.2584@2.8080344 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 1 1 1 1 1 1 1 1 1 216.2584 *216.9793* 216.9793@1.669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3826 1 1 1 1 1 1 1 1 1 1 216.9793 *216.9808* 216.9808@1.9597473 1 1 1 1 1 1 1969 2268 1 1 1 1 1 1 1 1 1 1 1 1 1429 1 1 1440 1 1 1 1 1 1 1 1 1 1 2172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1589 1 1 1 1945 1 1 1 1 1647 1757 1 1 1464 1 2375 1902 1724 1 1 2549 1712 1 1 2118 2217 1 1 2214 2066 1 1 1 1 1406 1 1328 1 2253 1 216.9808 *217.0217* C7 H7 N O7 3756 3746 3571 3371 6402 6426 3087 2893 3327 3318 6917 7878 3705 3623 2317 2635 1 1534 4145 4233 3640 3481 4817 5156 4091 4547 6643 5865 3781 3653 2508 2738 3101 3022 3864 3725 3248 3166 3552 3538 1 1 4540 4592 2299 2638 3287 2965 2257 2190 1 1 1074 1 1468 1592 5627 5318 1 1 1 1 1 1 1646 1 1 1 4780 5036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1786 2024 2847 2787 1 1 217.0217 *217.0382* 217.0382@5.831074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1016 1091 1 1 1362 1004 1109 1174 1027 1079 1 1 1 1041 1 1 1 1108 1 1 1160 1108 1921 2200 1 1 217.0382 *217.0407* 217.0407@3.068558 1 1 1 4916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1932 1 1 1 1 217.0407 *217.0427* 217.0427@2.2645707 1 1 1 1 3631 1 1 1 1 1 1 1 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 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 11635 1 1 1 1 1 217.0427 *217.0429* 217.0429@2.3805404 1 1 11996 1 1 1 1 9774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.0429 *217.0434* 217.0434@2.8193097 1 32907 5161 36919 1 1 1 1 117873 119264 1 1 1 1 1 1 3126 1 1 1619 1685 1 1 4035 1 1 128395 129898 1 1 1 136005 1 23329 1 1 1 144991 1 1 1 1 1 1 1 1 1 1 1 2971 1 1 1 1 34997 1 1 1 46504 1 1 1 1 1 1 1 1 1 48432 37530 1 2415 1 1 1269 1 1 1 1 1 64031 55866 1 59629 1 67523 1 1 58824 67225 217.0434 *217.0434* 217.0434@2.570234 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 76047 1 17322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140671 144430 1 1 9625 1 1 1 140808 127164 217.0434 *217.0541* 217.0541@1.9703746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1280 1 1 1 1 2985 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 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 1993 2504 1 1 1 1 1 1 1 1 1 1 1 1 217.0541 *217.0558* 217.0558@6.4779577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3297 3432 1 1 1 1 2537 2686 2435 2774 2412 2834 1973 1 1874 1 2926 2729 1 1 217.0558 *217.0562* C12 H11 N O S 1 1 1 1 1 1 2009 1899 1 1 1 1 4796 2542 1 1961 1499 1358 4440 1 2415 2317 5875 5350 1225 1192 5672 1 5153 5420 1 1 1 1 1 1 1 1 1 1 1 2564 1 1 1 1 1 1 4242 8201 8240 7354 1 1 4567 4358 1 1 2293 1379 1 1 1 1 1 1 4164 4354 1 1 1 1 1 1 1 1 1 1 1 1 2842 3048 3254 3406 1596 1662 3121 3712 1224 3750 217.0562 *217.0577* 217.0577@3.0110645 1 1 1 1 1 3846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 217.0577 *217.0683* 217.0683@3.0311098 1 1 1 1 1448 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 217.0683 *217.0903* 217.0903@3.0951066 1 1 1 1 1 1 4977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3287 1 1 1 1 1 1 3049 4823 3212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8234 1 1 1 1 8278 8580 1 1 1 10866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9892 1 1 3789 1 1 217.0903 *217.0936* C13 H15 N S 3237 3031 2221 2377 12626 12759 7694 8081 10305 10064 9601 9777 7056 7151 4472 4582 19878 21389 13807 14450 8560 8037 7215 7778 5408 4377 1 1 3918 3667 6016 5849 4739 4864 5126 5030 7287 6963 17763 17212 14122 14014 5835 6176 9068 8617 8750 9728 5129 4937 16966 9354 18638 17410 7420 7186 1 1 5835 5621 11045 1 13998 14924 20088 18370 10601 8681 9441 9159 13460 14369 8287 8747 14825 15875 10768 12186 39377 35237 27344 26777 11511 11050 1 10061 1 1 16085 17373 217.0936 *217.0936* C13 H15 N S - 3.210944 1 1 1 1 5284 5637 1 4004 4763 4870 6541 1 4732 1 1 1 6123 7099 6458 6583 2432 2283 1 3034 1 1 2989 2310 3287 1 1 1 1689 1 2315 1 2874 2705 7136 6556 6794 6363 2136 2255 3752 4122 4315 4411 1 1 4630 4349 5718 5848 1 1 1998 2322 1632 1 3786 3360 4423 4980 6987 7461 3433 3742 3411 3792 5765 4770 3066 1 4128 3255 3986 4588 9809 9136 10257 9841 5890 6192 3547 3604 1 1 5750 5836 217.0936 *217.0941* 217.0941@1.6675311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51780 53458 1 1 1 1 1 1 1 1 1 1 217.0941 *217.1702* 217.1702@2.6319034 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 1669 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 1 217.1702 *217.9407* 217.9407@12.638666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 217.9407 *217.9408* 217.9408@12.172178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 217.9408 *217.9412* 217.9412@1.0836098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2701 2363 1632 1 1 2085 2101 2067 2257 1831 1 1199 1313 1 1970 1 1 1169 1 1887 1 1427 2218 1 1600 1 1 2299 1959 1 1 2231 1031 1 1 1 1304 1926 2142 1 1 1812 1697 1431 2451 2189 2105 1444 1670 2290 1972 1 1806 1174 1250 2536 3021 1983 1 2268 2179 2538 2512 217.9412 *217.9413* 217.9413@12.112255 2710 1 1 1 1 1 1 1 1 1 1 1 1 3375 2642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2332 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 4841 1 1 217.9413 *217.9415* 217.9415@11.156534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.9415 *217.9417* 217.9417@12.814682 4715 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 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 3312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.9417 *217.9418* 217.9418@11.230424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 217.9418 *217.942* C4 H5 Cl3 N2 O2 8025 7416 8060 10250 8552 9045 9277 1 7936 8036 11789 10367 7561 7124 8414 7477 9220 9099 7967 8876 9343 8789 8580 7296 9364 10560 11277 10497 9008 9216 8864 8932 9267 8634 10114 9531 8868 9396 8281 8406 10848 8580 9249 7946 9564 9918 11200 11326 9282 10264 7716 1 7495 7366 8880 9213 7618 7602 9559 7701 9519 9718 10991 10881 8887 9657 1 9014 8550 10062 6722 10359 10674 11119 6843 10303 1 1 1 1 6742 7099 10723 9552 8571 7683 11295 11148 1 7009 217.942 *217.9431* 217.9431@1.9695212 1 1 1 1 1 1 1 8179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11253 1 1 1 1 1 1 1 1 1 7422 7988 1 11451 1 1 1 1 1 1 1 1 8012 1 217.9431 *217.9475* 217.9475@1.6355524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5377 4829 1 1 1 1 1 1 1 1 1 1 217.9475 *217.9515* 217.9515@1.8940388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 44144 31443 1 1 1 1 1 1 1 1 1 1 217.9515 *217.9533* 217.9533@1.1692352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1832 1423 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 1 1 1 1 1 1 1 1 217.9533 *217.9623* 217.9623@8.08349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 217.9623 *217.9637* 217.9637@1.721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6997 1 1 1 1 1 1 1 1 1 1 217.9637 *217.9686* 217.9686@0.9202316 1 1 1 1 1 1 1 1 1 1 2349 1 1 1 1 1 1 2419 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 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 1 217.9686 *217.975* 217.975@0.9212384 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.975 *217.9809* 217.9809@0.87422925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1231 1592 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 1722 1 1 1 1319 1827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.9809 *217.9833* 217.9833@0.8252771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 217.9833 *217.9866* C10 H2 O6 4956 4805 3778 1 5671 5651 8876 7846 9194 7888 1 8521 1 5681 6515 5406 2225 5374 6712 6407 6857 7270 6723 5667 4226 4217 4912 5091 4682 2055 4046 5239 5604 1 5354 2567 5703 5323 4642 2741 4617 1 5937 5891 3732 4789 5249 1 3510 1 3936 4730 4126 4901 4038 3239 3120 2879 5082 4068 4710 5852 2998 2902 4914 4734 4098 1 4339 3276 3098 3449 3274 3009 1472 4014 3884 3050 4237 3933 2802 2649 3561 1895 1 1 1909 1 1966 1997 217.9866 *217.9869* 217.9869@1.3447504 1 1 1 1 1 1 1 1 1 1 9106 1 4549 1 1 1 1760 1 1 1 1 1 1 1 1 1 1 1 1 1957 1 1 1 4395 1 2012 1 1 1 1 1 1 1 1 1 1 1 4637 1 4596 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 1577 1 1 1 1 1 1 217.9869 *217.9871* 217.9871@0.9920971 1 1 1 1 1125 1 1 1 1 1 1 2778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3177 3347 1 1 1 1 1 1 1 1 1 1 1768 2051 1160 1169 1 1 1 1 1 1 1 1 1 1 1247 1 1 1 1131 1308 1284 1 1 1 1 1 1 1 1 1 1 1 1 2674 1 1 1 1 1822 1533 2323 1965 1 1 217.9871 *217.9875* C7 H6 O6 S 5799 4864 7514 8074 11490 11584 16222 15990 10720 9464 8625 9188 6615 6330 5895 6090 6805 6238 7137 7077 5689 5587 15088 14535 5970 5693 6058 5245 7397 7540 6616 7596 6599 5975 9584 9484 9822 9325 7661 7325 7766 9214 9589 9609 7881 7644 8638 8807 7076 7035 6675 6569 9531 10120 11378 10181 4649 5010 8906 9071 7565 7962 6128 6030 4414 4999 7006 7034 5179 4599 7357 6756 7896 7741 3914 5518 7372 7260 7646 7449 5658 6533 6329 6689 6662 6159 6116 5543 6862 6338 217.9875 *217.9877* 217.9877@1.3138353 1 1 1 5398 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 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 1 217.9877 *217.9879* 217.9879@0.890023 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38712 39741 1 1 1 1 1 1 1 1 1 1 217.9879 *217.9884* 217.9884@0.8285775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16499 17876 1 1 1 1 1 1 1 1 1 1 217.9884 *217.9933* 217.9933@1.1912432 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 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 217.9933 *218.0326* 218.0326@2.0442462 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0326 *218.0345* 218.0345@3.501917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5004 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0345 *218.0373* 218.0373@2.3743103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37860 1 1 18552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117008 1 106127 1 1 1 1 1 218.0373 *218.0376* 218.0376@2.6276188 1 1 46449 1 1 1 1 1 417595 439740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444976 472718 1 1 1 506057 1 467841 542694 70169 1 573185 47947 1 1 1 1 1 1 1 1 1 1 1 1 1 64409 1 1 27132 1 1 33090 1 1 1 1 1 1 1 1 1 1 1 756480 1 1 1 81231 1 1 28031 1 1 787076 767110 1 1 1 1 1 1 1 757319 218.0376 *218.0376* 218.0376@2.852437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 64212 218.0376 *218.0376* 218.0376@1.4411895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 218.0376 *218.0377* C8 H6 N6 S 1 160371 57506 197876 1 1 1 67299 256478 226230 1 1 1 23835 1 187353 1 283446 1 1 24019 1 1 1 1 1 288239 211098 1 1 1 37654 1 204665 247631 1 102473 251168 201577 1 234317 8362 1 1 1 1 1 1 5801 1 1023100 1 206113 1 1 1 1 299604 1 1 352006 1 1 1 1 1 150675 303117 1 287844 393993 1 304100 319002 1 1 1029261 313854 13774 1 357736 379565 1 115749 15563 359613 24513 1 1077363 293553 218.0377 *218.039* 218.039@2.045686 1 1987 1 1 1 1 4308 3543 2142 1 1 1 1 1495 1 1 1 1 1 1 1 1957 2040 1 1 1 1 1 2181 2168 1 1 4140 1 1 1666 1 2470 1908 1 1 2399 1 2818 1 2633 1 1 2521 16435 1 1 2016 1681 1 1 5779 5940 1 1075 1 3436 3864 1 1 4947 6986 1 2051 1 5019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.039 *218.0429* 218.0429@1.2378118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0429 *218.0452* 218.0452@1.9713098 1 1 1 2749 1 1512 1 1 1963 1 1771 1 1 1 1 1 1 1 5793 4636 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 1611 1 1 1 1 1 1 1 1 1 2360 1 1 1 1944 5151 1 1 1 1 2468 1 1 1 1 1 1 1 1 1 2350 1 1 1 1 1 1 1 1 1 2773 1 1 1 1 218.0452 *218.0491* C14 H6 N2 O 1 1 1 1 1 1 3540 3667 1 1 1 1 6063 5193 2606 3871 5733 1 1 1 4709 4273 6399 6858 3117 2252 6271 8292 9801 11490 1 1 1 1 1 1 1 1 1 1 3070 4210 1 1 1 1 1 1 8972 8538 9661 8492 1 1 5930 6675 1 1 4205 1376 1 1869 1 1 1 1 1 9240 1 1 1 1 1519 1365 1 1 4105 1972 1 1 3714 12371 7702 5495 1 1 4428 5498 1 3291 218.0491 *218.0534* 218.0534@3.3935368 1 1 1 1 1 1 1 1 1 3036 1 1 1989 1 1 1 3090 1 1 1 1 1 1 2410 1 1 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 3513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0534 *218.0547* C10 H15 Cl O S 26768 28241 28731 28924 70014 70191 59208 62317 35085 34765 37709 38033 22951 25177 21511 29114 48019 51712 34474 34537 97556 103772 40216 36298 36369 34069 41088 39031 31408 31803 53594 53091 25585 25417 45654 49009 45373 47506 38281 39785 49075 46695 43040 40656 23117 22538 68245 65415 30761 32547 81721 87785 58167 58242 48655 45190 40392 37652 47313 45450 95927 96761 51478 47962 65039 66280 51044 54720 43105 43847 140052 149244 55372 57515 61518 65725 97647 94072 190486 181823 98243 106447 80990 80245 106596 103541 75809 80003 127818 126497 218.0547 *218.105* 218.105@1.1972153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10664 10671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.105 *218.106* 218.106@1.988 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2821 1 1 1 1 1 1 1 1 1 1 218.106 *218.1107* 218.1107@1.6370531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11333 11609 1 1 1 1 1 1 1 1 1 1 218.1107 *218.1116* 218.1116@1.7249905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17106 15562 1 1 1 1 1 1 1 1 1 1 218.1116 *218.1612* 218.1612@2.8048124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1711 2875 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.1612 *218.1616* 218.1616@2.6853356 1573 1 1 1 8902 7789 9913 3957 1467 2310 3615 8198 1 1464 8191 7823 9510 2928 4226 6428 1682 1 2371 8581 6784 1 4617 1 6591 1 2684 1 1 6707 1 1 2136 1 1 3466 9770 1 6429 1 1 6240 1 6013 1 1963 1 1 1 1890 1 4308 1 1 1406 1 6725 1876 1 1 1 1 1 3515 1 1 1 6829 1 4258 1 1 1 1 1 1 1 3151 1 1 1 1 1754 1 1 2368 218.1616 *218.1621* 218.1621@2.763299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1778 1 2148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1233 1 1 1942 1 1 9381 1797 1 1629 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 1 218.1621 *218.2073* 218.2073@2.694625 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1136 2285 1 1 218.2073 *218.2114* 218.2114@2.66094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1610 1536 1 1206 3361 1 1 1 1 1 2832 1 1 1 1 1173 1 2971 1 1 1 1 1 1 1 1 1 2348 1 1 1 3613 1 2996 4177 2847 1 1 1 3327 1 1 1 1 1 1 1 3931 5351 3161 3108 2215 1917 1 1942 1 1 4753 1 1 2166 1 1 4147 1 1 1 1 1017 1 3221 218.2114 *218.2121* 218.2121@2.6621242 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 1 1 1 1 1 3234 2226 3320 1 1 1 1 1 1 1 1 1 4803 1 1 1 1 1 1 1 1 1 4358 1 1 1 1 1 1 1 1 3038 1 1 1 1 1 1 1 1 2897 1677 1 1 1 1 1 1 1 5859 1 218.2121 *218.2515* 218.2515@2.640224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.2515 *218.8567* 218.8567@1.1320667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1892 1 218.8567 *218.8574* 218.8574@1.2067964 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 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 2927 3366 1 1 1 1 2790 1 1 1 1 1 1018 1179 1175 1 2959 1 1 1018 2092 4553 1 1 1 1 1 1 2039 3466 218.8574 *219.0405* 219.0405@2.0310302 1 1 1 1 1 1 1 1 1 1 1 1 1 2067 1 1 1 1 1 1 1 1753 1 1 1 1 1 2345 2261 2979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1694 1876 2426 2598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1735 2243 1 1 1 1 1 1 1 1 1 1 1 1 4023 1921 2510 4571 1 1 1 1890 1 2575 219.0405 *219.0408* 219.0408@2.8778002 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 6263 1 1 1 1 1 1 1 1 1 1 2255 1 1 3001 1 1 1 1 1 1 1 3292 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 1 219.0408 *219.0409* 219.0409@2.4547062 1 2973 1 1 1 1 2949 1 1 1 1 1 1 1 1 1 1 1 1 47258 1 1 1 1 1412 1 1 1 1 2683 1 2659 1 1 1 1 1 1 6679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40084 1 1 1 1 1 1 1 31591 1 6713 1 1 1 1193 1 1 1 1 47960 1 1 5278 1 6260 1 1 1 1 1 1872 1 1506 1 1 219.0409 *219.0409* 219.0409@2.7925584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25680 1 1 20118 21315 17078 1 1 17263 15886 1 26084 1 15650 1 1 1 1 1 13125 1 1 1 1 1 1 1 1 1 1 1 1 1 27084 1 1 1 1 1 1 219.0409 *219.041* 219.041@2.6584349 1 38278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46234 1 1 1 1 1 1 1 1 1693 1 1 219.041 *219.0424* 219.0424@1.8954891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5302 21367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4115 5450 4939 4287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4291 4685 1 1 1 1 1 1 1 1 1 1 1 1 1 3660 4386 1 1 1 1 1 1 1 219.0424 *219.044* 219.044@1.9637916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.044 *219.0516* 219.0516@1.9612279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10120 9096 12161 11678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.0516 *219.0554* 219.0554@3.322708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1902 1 1302 1 1 1 1 1 1 1 1 1 1 1 1012 1 1 1 1 1 1 1 1 1 1 1 219.0554 *219.0627* 219.0627@1.9691246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6966 6620 1 1 7061 7785 1 1 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 1 1 1 1 1 219.0627 *219.0717* 219.0717@1.9576735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8073 8205 1 1 1 1 1 1 1 1 1 1 9403 9423 1 1 1 1 1 1 1 1 1 1 1 1 10178 9996 10971 10375 1 1 8852 9503 1 1 219.0717 *219.077* C9 H9 N5 O2 4401 4076 4252 5203 4302 4290 7426 7171 5447 4717 5565 5062 1 1 4115 4116 6080 8044 1 1 7408 7847 1 1 5679 5837 1 1 1 1 5617 5688 4968 5036 6728 7868 5617 6269 7434 7798 10218 7571 5949 6084 5482 5150 7712 6293 1 1 1 1 10708 7035 1 1 6038 6945 8814 8895 15170 13629 10911 7914 9593 10256 1 1 6459 7494 12401 12098 9247 9404 6813 8406 9683 9141 10780 11372 1 1 1 1 13209 12467 1 1 12289 12887 219.077 *219.1046* 219.1046@2.82699 1082 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 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 2048 1681 1 1608 1 1 1 1 1 1 1 219.1046 *219.1054* 219.1054@2.846997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 219.1054 *219.1091* C5 H13 N7 O3 13016 6380 3531 8671 13065 3697 1 15032 6342 12444 13542 6067 12814 14262 4051 11312 20204 12007 11189 12868 1 12102 11697 10340 15531 7776 15868 1 11246 9432 12796 1 9345 6628 14269 4782 1 10822 14048 25414 17801 18965 1 8096 3774 1 1 12861 1 1 6363 12338 25327 20937 1 15904 16449 1 9230 1 1 17012 19297 3505 1 23954 1 16271 16373 1 18360 1 15246 13303 20786 12529 18432 1 8591 6475 20863 1 19493 21496 18913 1 5115 14868 14114 19840 219.1091 *219.1105* Pantothenic Acid 42782 48456 42173 36243 228088 240903 60876 46593 207556 203159 154278 164377 111262 111264 56354 50349 175017 186139 177612 176679 117046 105106 68121 71643 122673 127344 218549 223925 58494 60437 76898 86367 129373 133308 57520 67377 58014 46943 237395 229505 88978 86285 113085 109486 183836 192714 78588 66509 61759 64119 154080 146568 153484 157834 73110 61105 172692 187442 34206 43777 56220 37946 144363 159638 247773 227580 80565 65270 102588 110841 106364 120721 94767 98561 135568 144941 99301 112007 636234 636613 212005 235906 192647 188755 65226 84159 60239 50811 147456 142066 219.1105 *219.2341* 219.2341@2.5481257 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8508 1 1005 1276 1 1164 1 1 1 1 1 1 219.2341 *219.9388* 219.9388@12.767399 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4403 1 1 219.9388 *219.9397* 219.9397@12.092143 1 1 1 1 1 1 1 1 1 1 1 1 1 3366 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 1 1 1 1 1 1 1 1 1 1 1 1 2396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1307 1 1 219.9397 *219.9398* 219.9398@12.513009 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 5170 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 2056 1 1 219.9398 *219.9432* 219.9432@1.0829521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 219.9432 *219.944* 219.944@11.647791 1 1 1 1 1801 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 1 219.944 *219.9463* 219.9463@11.7054405 1 1 1 3960 5428 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3877 1 1 1 1 1 1 1 1 1 1 1 219.9463 *219.9531* 219.9531@1.0800692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 219.9531 *219.9624* C5 H4 N2 O4 S2 1 18059 15681 16063 16640 15679 16484 18457 17306 18356 17484 14825 19395 17060 14907 15508 17017 18195 16258 15402 15140 17009 16186 16453 14848 17667 15231 14103 13420 13847 15476 13781 15971 14541 19071 15128 16570 20696 13611 15312 15551 18772 15659 15764 16470 16825 14043 14953 14642 14355 14427 15350 13793 14177 16150 23717 16334 14802 14656 14860 13851 12356 15173 14346 17380 12252 14074 12556 18188 15824 16779 13451 15437 16304 11733 15201 15159 19334 10579 14507 14812 13793 14859 13728 13669 12450 15560 17344 13479 13306 219.9624 *219.965* 219.965@1.595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11742 1 1 1 1 1 1 1 1 1 1 219.965 *219.9661* 219.9661@10.418678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10553 1 1 1 8375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6179 1 1 1 1 1 1 1 1 1 1 1 1 219.9661 *219.9664* 219.9664@4.476117 1 1 1 1 1 1 1 1 1 1 1 1 5033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9664 *219.967* 219.967@1.8807259 16697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 4730 1 1 1 1 1 1 1 1 1 1 219.967 *219.9675* 219.9675@1.2825876 1 1 1 1 1 1 1 1 1 1 1 1 5514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9675 *219.9677* 219.9677@1.6839081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9378 16541 1 1 1 1 1 1 1 4235 1 1 219.9677 *219.9677* 219.9677@8.8229065 1 1 1 1 1 1 1 1 1 1 1 1 6576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9677 *219.9678* 219.9678@0.7083853 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9678 *219.9678* 219.9678@5.2026362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3477 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9678 *219.9679* 219.9679@10.558444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5568 1 1 1 1 1 1 1 1 6493 1 1 1 1 1 1 1 1 1 1 1 1 219.9679 *219.968* 219.968@4.037227 1 1 1 1 1 2230 1 1 1 1 1 4546 4462 1 3461 1 1 1 1 1 5645 1 1 4197 1 1 3868 3942 4409 4447 1 1 3517 1 4075 1 4726 1 1 1 1 1 1 3987 1 1 4275 6838 4456 4815 1 1 3946 1 3642 9146 1 1 1 4473 1 1 1 4451 1 1 1 4929 2312 1 1 1 3050 1 1 1 1 1 1 1 1 1 1 1 1 2262 1 1 3458 1 219.968 *219.9681* 219.9681@6.961248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6649 1 1 1 1 1 5683 1 1 6771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8154 1 1 1 1 1 1 1 1 1 1 1 3600 1 1 1 1 1 1 1 1 1 7892 1 1 1 1 1 12029 1 1 1 1 1 1 1 1 219.9681 *219.9681* 219.9681@1.0872837 1 1 2752 3151 1 1 1 1 1 1 3633 1 4275 1 1 1 1 1 1 1 1 1 7167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9681 *219.9683* 219.9683@5.373539 1 1 1 23224 3657 1 1 13161 1 1 1 1 6227 1 7204 1 1 1 13114 1 1 1 1 1 1 1 3842 1 1 1 21568 1 1 1 16101 1 1 1 6066 1 11793 1 1 1 1 1 1 1 1 9322 1 1 1 1 1 13588 1 1 1 9332 14551 1 1 1 24652 1 1 14680 1 1 1 1 1 1 1 4332 13476 1 4564 1 10295 1 1 1 1 1 1 1 1 1 219.9683 *219.9683* 219.9683@6.8621545 7587 1 6044 1 1 1 1 1 1 1 1 10336 1 1 10283 1 1 1 1 11603 7960 1 1 1 1 1 1 1 1 1 1 1 7470 1 1 1 1 1 9431 1 1 1 1 1 1 1 1 1 1 1 25090 23729 17211 14964 1 9329 1 1 1 1 22306 19289 1 1 15938 1 1 1 1 1 37184 41549 1 1 1 9348 32773 32544 22402 1 1 22178 1 19305 23813 1 1 1 1 15132 219.9683 *219.9683* 219.9683@0.6881544 1 1 1 1 1 1 1 1 1 1 1 1 1 14451 1 6739 1 1 5999 1 1 1 11864 1 1 1 1 1 1 1 1 6592 1 1 1 14164 9342 1 1 1 1 1 1 1 1 1 1 12530 1 5698 11983 1 1 1 1 1 1 1 1 7277 10578 1 1 1 1 1 1 14006 5644 7888 1 1 1 1 1 5442 12211 1 5836 1 1 1 7031 6135 1 1 1 1 1 1 219.9683 *219.9684* 219.9684@5.922955 21823 1 1 14904 14431 1 1 1 1 1 1 1 5137 24755 1 15822 1 1 1 1 6671 47753 1 1 1 1 1 1 1 1 1 1 14866 1 37035 1 1 32170 20113 1 51746 15832 1 1 1 1 1 44210 1 49601 1 7604 1 1 1 14369 18378 1 1 1 1 1 1 1 1 19646 1 1 7541 1 1 33267 1 56425 1 7696 1 1 27709 1 1 1 1 1 1 1 1 5249 1 1 219.9684 *219.9684* 219.9684@1.3337393 13991 1 11688 12156 1 1 1 1 1 19448 1 13168 7978 1 13346 10543 1 1 10917 1 8570 1 11992 1 1 1 1 1 1 1 6360 15844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12086 1 1 1 1 1 1 1 15293 1 1 1 1 1 1 1 1 1 1 9873 1 1 1 1 2421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9684 *219.9685* C7 H8 O2 S3 17156 14704 11090 10925 11433 14658 13578 1 9634 12239 15012 10605 5312 9982 8947 10742 12964 11873 17630 16492 17608 14314 16563 12412 17406 15920 11706 14583 10450 1 9918 14771 1 9285 1 9517 12614 1 13906 10164 16925 15847 1 1 1 10996 17763 10399 17225 16481 8765 9573 1 1 14778 1 9233 7194 10491 10547 12803 18686 10791 18589 10229 11893 13462 14726 13893 17207 18916 18111 9738 10208 14105 10028 14542 16814 20502 21360 11489 8840 14643 15722 9945 16623 16509 17987 9515 9341 219.9685 *219.9686* C6 H4 O7 S 23491 23387 13432 17208 20920 61745 25878 35472 21600 71243 20860 44077 66313 24831 7870 25755 1 14318 25661 10030 25857 28714 1 36070 1 20254 20765 28603 33629 41385 25019 1 13632 1 31652 1 20699 25706 26186 15510 30482 1 23146 1 1 1 26578 21799 30406 31747 1 26783 1 40238 26814 28495 21029 1 32462 23967 23767 1 27790 19994 44837 28463 46655 21898 25169 21187 1 16545 1 30432 27139 6117 86509 18388 25654 19733 25850 1 1 1 1 26857 10204 12132 71410 53371 219.9686 *219.969* 219.969@5.6056113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55897 1 1 1 1 1 3526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8545 1 1 1 1 1 13288 1 1 1 1 1 1 1 1 1 1 1 1 42501 1 1 1 1 1 1 1 13844 1 1 1 1 1 1 1 1 1 1 1 1 1 219.969 *219.9729* 219.9729@0.7277122 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5898 3671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9729 *219.9762* 219.9762@0.7179481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 219.9762 *220.0285* 220.0285@1.8907175 1 1 1 1 1 1 1 1 1 1 1 1 2882 3455 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 1317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1207 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 1 220.0285 *220.0295* 220.0295@2.4958162 1 1 1 1 1 1 1 1 1 1 1 1 1 1952 1 1 1 1 2820 2567 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 3090 2656 2105 1 1 1 1 1 1 1 1 1 2849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1648 1873 1 1 1 3446 220.0295 *220.0315* 220.0315@2.323785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 220.0315 *220.0322* 220.0322@1.9380035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2210 3085 1 1 1 1 1 2093 6633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1931 1 1 2934 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 1 220.0322 *220.0332* 220.0332@1.8955929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3490 1 1 1 3604 1 1 1 1 8362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5408 5015 7317 6237 1 1 1 3514 1 1 1 1 1 1 1 1 1 1 4785 1 1 1 1 1 1 1 1 1 1 1 1 1163 1 4072 1 4104 1 1 2661 3747 3005 1567 220.0332 *220.0385* 220.0385@2.2059383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3146 1 1 1 1 1 1 1 1 1 1 1 220.0385 *220.0412* 220.0412@2.8584135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 220.0412 *220.0414* 220.0414@2.6540234 1 7227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6241 1 1 1 1 1 1 7914 1 1 6244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.0414 *220.0418* 220.0418@2.7234962 1 2554 3578 1 1 1 6166 5709 1 8837 1472 1 1 1 10259 1 1 4460 1 4803 3150 1 1 12143 1 1 1 11188 1822 1 1 4560 1 1 11671 1 1323 1 1 1 1975 1 1 1 1 5769 6416 1 1 4937 1 1 1326 2310 1 11698 5239 6990 1 1 8013 1 1 12466 2795 4056 1 1 1873 1 13677 5628 1 1 3765 1 16242 1 1 5031 3126 1 7375 1 1 1 1 6135 1 1 220.0418 *220.0509* 220.0509@3.3464723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8012 1 1 1 1 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 1554 1 1 1 1 1 1061 1 1 1 1 1 1 1 1992 1650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4873 220.0509 *220.0624* 220.0624@3.141 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16411 1 1 1 1 1 1 1 1 1 1 220.0624 *220.0636* 220.0636@1.9663045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20494 19239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.0636 *220.0688* 220.0688@3.017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 220.0688 *220.074* TUBAIC ACID 17927 17823 19715 18818 18907 19103 30815 29362 20788 20182 22432 21032 20792 20335 14562 15031 28324 29784 30277 29865 29825 34679 26597 27004 22673 22301 33856 31801 1 1 25399 27057 20112 20329 28107 31737 25165 26678 27684 31613 40731 30940 21534 22535 18274 22313 28357 26683 31181 32442 42916 44499 33716 32716 29009 29332 26605 26621 37055 38070 58071 59865 36358 35003 39396 48968 36638 35258 27088 32351 53649 38496 32370 31619 33459 29570 38910 39186 39615 42596 54399 53529 55393 55715 41534 52055 34360 44560 52342 67061 220.074 *220.0923* 220.0923@1.4871571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2124 1801 1 1 1 1 1 1 1 1 1 1 220.0923 *220.1087* 2-ISOPROPYL-3-METHOXYCINNAMIC ACID 3180 2813 3803 2850 3273 2920 1 1298 3511 2696 1692 1878 2562 3044 6202 4160 1338 1 4248 3286 1254 2665 1810 1697 3089 2443 2987 2936 4137 2150 7745 8507 6763 6171 4608 5016 3491 3478 5543 7717 1449 1088 2403 2838 2907 3111 3492 3107 2664 2387 1096 1240 1561 1712 2289 2253 4399 4127 3230 2525 1894 1248 1234 1219 3266 2054 2499 2631 4693 7381 1413 1417 1 1 1275 1069 1 1 1 1 1319 1101 1823 2077 1 1 1 1 1393 1480 220.1087 *220.1105* 220.1105@2.613295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2508 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 1888 1 1 1 1 1291 1 1 1 1 1 1 1 1 1 1 1 1 220.1105 *220.1235* 220.1235@2.0185587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 220.1235 *220.1744* 220.1744@1.0680472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 220.1744 *220.1813* 220.1813@1.058473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2041 1 1 3349 3588 1 1 1 1 1 1 220.1813 *220.8513* 220.8513@3.5934813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1264 1 1 1 1 1 1 1 1 1 1 1 1209 1 1 220.8513 *220.8513* 220.8513@0.6662847 2515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7767 1 1 1 1 1 1 1 1 9972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19378 1 1 1 1 1 1 220.8513 *220.8513* 220.8513@0.9641716 1 1 1 1 1 1 1 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 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 2306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.8513 *220.8518* 220.8518@0.80186826 2492 1647 1 1 1 2190 1 1 1 1 1 1 1 1 1799 1 1 1 3031 1 1 1 1 1 1 4601 1 5631 3101 2233 2956 3353 1385 3666 1 1886 2555 3674 3020 1 1 1 1 1102 1776 1927 1 1 1 1 1576 1 1 1 1 2935 1 2754 1 2262 1 1 1 1 1 3265 1 1 1 1987 1552 3921 1 1 3184 3632 4334 1 1 1 2464 1 1 1 5383 4599 1 4025 4988 4791 220.8518 *220.8519* 220.8519@1.51971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3420 1 1 1 1 1 1 1994 2627 1 1 1 1 1 1 1 1 1 1 1 3403 6247 1 2294 1 1 2318 2006 4567 2181 2336 4251 2471 3754 1 1 1 1 1353 1385 7290 7390 1 8813 1 1 1744 1 2165 2403 4529 4645 4714 1 2164 4295 3761 4282 2549 2987 4111 5055 3118 4148 4149 8085 8959 2678 5700 1 220.8519 *220.852* 220.852@1.1809738 11774 23971 22011 22367 52920 19162 11314 10806 28933 22048 10891 20500 39260 50701 21723 17870 37851 36194 18195 9096 17869 16522 27987 17289 78443 78869 64339 72630 64307 12421 63672 16119 18734 57543 68496 28434 23900 27972 69568 31808 29723 52720 34216 33480 26082 25107 60394 27459 26764 60040 57907 28647 31976 51381 38093 20790 26027 35455 64446 47638 104831 114917 31957 28457 30165 30761 79146 75809 69438 31583 63379 5908 63974 34505 38905 59219 19042 19380 40664 46580 30209 29792 30575 61277 63269 34333 32833 33681 29396 29745 220.852 *220.8521* 220.8521@1.0467787 28244 1 38092 36391 13725 1123 22480 1 1020 26273 23325 16313 14413 1 13745 12822 18300 16510 9678 1 1 1 1 20048 4831 2396 2857 2243 2441 27034 1750 17421 1541 1984 1832 1653 47900 37215 1588 63937 1 1610 1374 1221 53664 55102 1306 60609 1 1068 1229 54085 1 1296 1305 16509 64250 1156 1265 1619 54942 49568 1387 50408 60083 59145 1713 1549 1722 2155 1711 62402 1972 63692 1958 1739 78406 82932 28339 26412 2230 2390 56527 2117 1826 1721 1 1 2256 2216 220.8521 *220.8521* 220.8521@1.6446046 1 1 1 1 1 1 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 1 2062 1664 3142 1 1699 1 4819 1 1 1 1 6259 1 2062 1 2069 1 4306 1 4756 1 1 3444 1654 4217 1 1 6741 1 1 1 8314 8674 5705 3271 2612 1 3312 1 7783 6497 2768 6646 5906 6388 5447 12350 8499 8111 8489 4214 1 8262 2431 11491 220.8521 *220.8522* 220.8522@1.2793391 1 1 1 1 1 53810 1419 1454 19288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14882 15236 15208 15819 27788 27766 27431 26055 30189 31601 28314 1 27209 1 27887 1 6068 29711 25250 13322 1 1 27241 3906 1 25590 26846 2263 4655 30597 25581 25380 1 15691 25641 27685 1 1 1 1 3711 5432 15848 18235 17118 33330 32815 34264 34644 4972 4053 36666 5732 6826 5451 8802 78946 78208 5099 31851 37078 38248 4963 3927 37790 80045 220.8522 *220.8522* 220.8522@1.5601637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5171 1 1 1 1 1 1 1 1 1 1 1 1 1 10986 1 1 3456 6147 1 1 1 1 3056 2411 1 1 4609 1 4204 6888 1 220.8522 *220.8522* 220.8522@3.5181925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.8522 *220.8523* 220.8523@3.3884819 1 1 1 1 1 1 1 1 1 1 1 1 1 2494 2136 1 1 1 1 1 2659 1 1 1 1 1 1 1 1 1 1825 1 1920 1 1 2460 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 3183 1 1 2229 1 1 1 1 1 1 1 1 1 1 1 2937 1 1 220.8523 *220.8523* 220.8523@2.237271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2421 1 1 4354 1 1 1 1 1 1 1685 1 1 1 1 1 2399 1 1 1684 1 1 1 1 1 1041 1 1 1 220.8523 *220.8523* 220.8523@2.0400906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1089 1 1 1 1 1 1 1 1 1 220.8523 *220.8525* 220.8525@2.9160306 2475 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 4334 1 1 1 2599 5131 2954 1 1 2633 1671 1 1 1972 3432 3972 1 1 3299 1 1 1 1 1 1 1 1429 6570 3736 1 3725 3541 1 1 3782 5951 6646 4827 3493 5515 6164 6029 3303 3777 1 1 4907 4858 3827 7336 6455 4249 1 1 2452 1 2193 1 3871 1 1 1045 5395 3790 220.8525 *220.8526* 220.8526@2.9842033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3817 5917 1 1 3700 1 1 1 1 1 1696 1 1 1 1 1 1 1662 1 1 220.8526 *220.9687* 220.9687@6.6139326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1438 1 1 1 1 1 1 1 1 1 1 2012 1 3500 1 1 2515 1 1 1 1 1 1 1 220.9687 *220.9692* 220.9692@6.260488 1 1 1 1 1 1 1 1 1 1 1 1 1956 1 1 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2588 1642 1043 1380 1 1 1 1 1 1 1 1 1188 1 1 1 1 1 2243 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 1 220.9692 *220.9692* 220.9692@5.2228727 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 220.9692 *220.9695* 220.9695@5.9562 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.9695 *220.9695* 220.9695@8.080484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 220.9695 *220.9697* 220.9697@5.661046 1 1 1 1 1 1 1 1 1 1 1 1 2541 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 1576 1 1 1 1 1 1 1 3116 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 1 220.9697 *220.97* 220.97@7.0159125 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 1 1 1 1 1 1 1 1 1 1 1 2420 1 1 1 1 1 1 1 1 1 1 1 1 2365 1 1 1 1965 1 1 1 1 1 1 220.97 *220.9705* 220.9705@5.474715 1 1 1 1 1 1 1 1 1041 2333 1 1 2048 1 2937 1309 1 2049 1 4381 1 1 1 1 1919 1 1 1202 3048 1350 1 1 1 3645 1 1 1 1 1 1 1 4423 2424 2131 2912 1 1 1 1 1 2547 3100 1 1174 2299 1 2215 1 2896 1383 1343 3318 1 1522 1 1 2563 1 1 1 1812 2432 3701 1 1 1608 3384 1 1 1 1839 1 1 1 1936 1203 1 3859 1 2735 220.9705 *220.9706* 220.9706@5.8012743 1 1 2014 1 1 1 1 1 1845 3552 1 1 3442 1 1 1 1 2025 1 1 1 1 1 1 1433 1 1 1 1791 1 1 1 1 1830 1 1 2069 1 2898 1 1627 1 1926 1897 1 1 1 1 1976 1 3960 1 1513 1 1 1 1 1 3048 1 1 1 1 1 1 1 2721 1 1 1 1854 1 1 1 1 1 1 1 1359 1 2813 1 1 1 3914 1479 1 1659 1 1308 220.9706 *221.0679* 221.0679@3.2055364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5409 2273 1 1 1 1 1 1 1 1 1 1 221.0679 *221.0757* 221.0757@3.243668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3505 4596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 221.0757 *221.0914* 221.0914@1.9538267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13569 13943 1 1 1 1 1 1 1 1 1 1 221.0914 *221.1526* Procarbazine - 1.0827432 1291 1296 1 1 1 1 1092 1177 1 1 2768 2222 1352 1145 1058 1 1124 1010 1377 1326 1108 1 1212 10294 1987 1236 1126 1015 1508 1504 1785 2044 2538 1872 1965 1846 1289 1359 1959 1148 2076 1854 1 1595 1150 1168 1109 1153 2227 2692 1869 2035 4214 3831 1812 2200 1 2394 1 1484 2583 3615 1474 1303 1766 1 2147 2017 2223 2607 2552 2465 1727 1640 1 1 5045 2450 2765 2843 4725 1754 1896 1 1709 2044 3352 3736 2770 3006 C07402 221.1526 *221.1534* Procarbazine 1 1 1 1 1 1066 1 1114 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1 1136 1286 1698 1 1 4582 1 1 1 1820 1354 1 1 1484 1355 1507 1889 1266 1472 1343 1 1035 1 1167 1370 1390 2074 3067 1 15042 2537 1 1 4578 4763 1 1 1 1 1524 6511 6257 7499 3868 1632 7897 8310 2461 5684 1838 7528 1 1 1 3758 1248 1216 1 1 18405 2454 1315 1628 2323 2234 1 1813 C07402 221.1534 *221.8527* 221.8527@1.1577791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1206 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 1 221.8527 *221.854* 221.854@1.1067275 1 1 2322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1296 1253 1 1954 1 1 1 1 1 1976 1 1 1812 1 1686 2705 1 3240 1524 2454 1 1 2108 1777 1 1 1 1957 1 1 1 1 3525 1 1 1 1 1827 1261 2202 1045 1 1 1 1441 2189 1 1530 1 1 1 1559 1 1 1 1 1721 1205 1 1 3647 1 1 7722 1 221.854 *221.8957* 221.8957@0.70628756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 221.8957 *221.9371* 221.9371@13.038833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 221.9371 *221.9377* 221.9377@12.479403 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 1130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 221.9377 *221.9437* 221.9437@1.9773397 1 1 1 1 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 1313 1132 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 1 221.9437 *221.9616* 221.9616@1.1524699 1 1 1 1 1 1 1 1039 1333 1723 1 1058 1 1091 1 1179 1 1354 1064 1480 1612 1 1 1098 1 1 1 1 1 1 1 1 1 1 6477 4725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 221.9616 *221.9683* 221.9683@1.9642266 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 221.9683 *221.9751* 221.9751@1.957525 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 1601 2286 1 1 1 1501 2295 1877 1 1 2414 2236 1 2475 1 1 1 1 1 1 1 1469 2213 1 1 1 1 1 1 1 1 1 2102 1639 1 1 1 1 221.9751 *221.9773* 221.9773@1.9452502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1155 2261 1 1 2697 1 1 1 1 1 2853 2776 1231 1 1 1380 1 1 1 1945 1 1 1 1 1 1 1 1 1 1 221.9773 *222.0064* 222.0064@5.829557 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.0064 *222.0144* 222.0144@5.78742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2198 2266 1527 1 1 1 1 1 1374 1050 1935 1454 222.0144 *222.0151* 222.0151@5.7724214 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 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 4033 2468 1 1 1 1706 1 1 1 1 1 1647 222.0151 *222.0188* C10 H7 Cl N2 O2 1 1 1 1139 1 1 1715 1 1 1 1 1 1 1581 1 1365 1653 1 2918 1231 1 1095 1 1751 1 1 1671 1 1804 1 1 1 1280 1 1 1518 1818 1118 2630 3400 1 1 1 1 1 1 1 1 1 1 1 1 2272 1 1 1 2254 3417 3386 1 1 1 1 1 1 3355 1 1 2158 1 4753 3398 1 1 2679 1 1195 2788 3832 3189 3660 2817 1 2138 1 1 2663 2513 3395 3310 222.0188 *222.0188* 222.0188@4.0362263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 222.0188 *222.0189* 222.0189@3.766801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5807 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1496 1 1 2236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.0189 *222.019* 222.019@3.9146798 1 1 1 1 1 1 1 1 1 1 1 1 1 4120 1 1 1 1 1 1 1910 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 1705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2074 1 1 5437 1 1 1 1 1 1 1 1 1 1 1 3046 1 1 222.019 *222.019* 222.019@4.8836584 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 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 1 222.019 *222.0191* 222.0191@3.1844728 1 1 1 1 1 12520 1 1 1 1 1 1 1 1 1 1 1 1 1 11956 14037 1 1 1 1 1 1 1 1 1 8127 11700 9502 6824 1 1 1 1 3670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8319 1 1 1 1 1 1 1 1 1 1 1 7492 1 1 20841 18842 1 1 1 1 1 1 1 5963 1 1 222.0191 *222.0191* 222.0191@3.6571574 3189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5539 1 1 1 1 1 1 1 1 1 1 1 6399 1 1 1 1 1 1552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3633 19950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4585 1 1 2166 1 1 1 1 1 1 1 1 1 1 1 7383 1 1 222.0191 *222.0192* 222.0192@3.3051438 5184 1 1 1 1 1 1 1 1 1 1 1 1 21549 1046 1 1 1 1 16615 1 1 1 13411 1 1 1 1 1 1 10526 10402 2716 1 1 1 1 1 5077 1 1 1 1 1 1 1 1 1 1 1 1 1 16511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5225 1 1 5918 1 9721 1 1 1 1 1 1 1 1 1 6647 1 1 222.0192 *222.0192* 222.0192@4.069298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1777 2760 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 2369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1180 1 1 5146 1 1 1 1 1 1 1 1 1 1 1 3750 1 1 222.0192 *222.0193* 222.0193@3.4472723 4054 1 1 1 1 1 1 1 1 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 1 1 1 1 11754 1 1 1 1 1 1 1 1 1 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 3276 1 1 1 1 1 1 1 1 1 1 1 3771 1 1 222.0193 *222.0194* 222.0194@3.7930946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.0194 *222.0197* 222.0197@3.9048176 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 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 1077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.0197 *222.0279* 222.0279@1.1591101 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 1796 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 1 222.0279 *222.0315* 222.0315@1.9617898 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.0315 *222.0323* 222.0323@1.158984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 222.0323 *222.0332* 222.0332@1.1639359 1 1 1 1 1 1315 1 1 1 1 1 1 1 1 1 1 2015 1965 1 1330 2032 1216 1160 1 1 1 1 1 1 1 1 1 1 1 1 1 1127 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 1 222.0332 *222.0648* 222.0648@3.016194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 222.0648 *222.0822* 222.0822@1.179196 1 1 1 1 1 1 1 1 1 1 1 1282 1 1140 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 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 1478 1 1 1 1 1 1 1 1093 1 222.0822 *222.085* 222.085@1.953675 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 1457 1 1 1595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1772 1357 1 1 1196 1 1 1 1 2001 222.085 *222.0872* Thr Gly 1 1 1038 1035 1245 1 1055 1 1316 1074 1 1 1159 1 1 1 1 1455 1216 1320 1 1 1 1 1083 1520 1 1 1 1362 1246 1051 1112 1337 1815 2091 1085 1 1 1 1 1 1 1 1 1 1232 1 1 1 1 1373 2390 2372 1 1 1 1 1 1 1 2356 1 1 1 1210 1 1 1 1 1451 1448 1 1 1024 1393 1470 1187 3710 4124 1 1452 1 1 1849 2021 1684 1936 1 1496 222.0872 *222.0877* 222.0877@1.2893351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 4032 4531 1 1 1 1 1 1 1 1 1 1 222.0877 *222.0904* 222.0904@1.9529608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 50315 50069 1 1 1 1 1 1 1 1 1 1 222.0904 *222.1236* 222.1236@1.1687503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2132 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 1 222.1236 *222.1423* 222.1423@1.9656639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1219 1 1 1 1 222.1423 *222.1497* 222.1497@1.9703023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.1497 *222.1519* 222.1519@1.6361063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 222.1519 *222.1548* 222.1548@1.9724771 1 1 1 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 1067 1 1 1 1 1 1153 1031 1 1141 1 1 1 1 1 1227 1 1 1 1 1 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.1548 *222.158* 222.158@1.635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2517 1 1 1 1 1 1 1 1 1 1 222.158 *222.1602* KOBUSONE - 1.0965811 1629 1 1910 1 1486 2290 1 4205 1 1 3613 5887 1 3216 4843 2629 3564 2609 1 3813 3273 5029 4237 4357 2522 2774 1920 2470 3787 3269 5197 6014 5551 4785 3718 3537 3116 2811 3849 5287 5500 5063 1 5004 2731 2851 2133 2758 9245 5327 5288 4857 8795 8967 1 3704 3283 2895 2713 2479 5524 9513 2638 2706 2784 2987 2953 2976 3188 6808 1 3033 2418 2391 2680 2742 3112 4118 7977 8088 3344 4649 4901 4686 2547 2405 3593 3655 2642 2364 222.1602 *222.1604* KOBUSONE 1356 1 2594 4756 4233 2173 5347 2681 3494 2289 1737 1 4822 2079 1 1 1411 2480 6231 2455 1740 2226 2677 2461 2350 1911 2967 1938 1027 1 5341 5507 3793 4924 3703 3850 4979 4149 1645 1 10401 4017 1 1 3095 3251 2083 2187 1 3593 29633 4483 13766 13787 8808 5118 3683 3145 3297 3323 3259 1 3380 3207 6314 2326 9455 9834 3444 1 6251 3712 2317 2405 2710 2077 4086 3787 2750 5501 11484 8819 3881 3672 3039 3093 3425 3371 2750 2573 222.1604 *222.8487* 222.8487@1.0843589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.8487 *222.8489* 222.8489@1.6424356 1 1 1 1 1 1 2004 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 4364 1 1 2048 1 1 2713 2116 1 1 3852 1891 5866 7020 7185 6880 3122 1 2229 3631 3522 1 5399 3929 1963 1 4081 4250 8907 3057 4615 3450 2821 4785 1 5531 6353 5738 222.8489 *222.8491* 222.8491@1.4983991 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 2448 4382 3912 1 1 2695 2820 1 2467 1 1 3310 1 3406 2801 2603 1607 3158 3655 3206 1 1 1265 3166 2298 222.8491 *222.8493* 222.8493@1.1388942 10348 15355 1 1 7193 1 14685 20802 1 1 9354 1 1 1 1 8756 1 1 1 6816 7835 4500 7436 1 13056 10863 10182 2382 1 1 1 1 1 14717 1 25877 1 24451 1 1 18342 1 23404 9856 1 1 1 1 9742 1 1 1 20057 1 15236 1 1 22550 1 11666 1 1 16646 1 1 1 10467 11581 13247 23628 1 1 1 1 25266 1 1410 1 19197 24135 19872 20751 1265 1655 1 1 21286 22405 20353 17384 222.8493 *222.8493* 222.8493@1.3699576 8591 1 1 1 1 1 9267 1 1 1 1 1 1 1 1 1 1 1 1 6957 1 1 1 1 1 1 1 15173 1 1 1 1 1 1 1 1 1 1 1 1 2402 2736 1 1 1 1 1647 1 1 1 1 1 3458 2729 1 1 1 12505 1 1503 1 1 1 1 2139 1 1 1440 1 3673 2225 4055 1 3554 3066 3688 14540 3587 3724 6000 4185 3657 3072 2644 3616 1734 3460 2907 24679 1 222.8493 *222.8493* 222.8493@2.936352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 222.8493 *222.8494* 222.8494@0.71640885 1 1 1 2544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5069 1641 1 3067 1 1 1 1 1 1 1 1 1 1 1 1 1 1952 1 1 1 1 1 1 5674 1 1 1 1502 1 1 1 1 6468 1 1 1 1 1 1 1 1 1 1 1402 1 1142 1 1 1 1 1 1 1434 1224 1202 1272 1 1 1 1 1 1 1 222.8494 *222.8495* 222.8495@0.83860296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4613 1 1 1785 1 2727 1 1748 1 1896 1 1 1 1726 2077 1 1 1 1 1 1 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 1626 2182 2085 1 2128 3289 1501 1 2283 1359 1 1811 2829 2571 1 2818 2807 3152 1706 222.8495 *222.8495* 222.8495@1.5596731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2575 1 1 1 1 1 1 1 1 2996 1 1 222.8495 *222.8499* 222.8499@3.476533 2018 1 1 1 1 1 1 1 1 1 1 1 1 1 2096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2607 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1 1 1 1588 1591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1975 1 1 222.8499 *222.8499* 222.8499@3.692098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1946 1 1 1 1 1 1 1 1 1 1 1 222.8499 *222.8501* 222.8501@2.170849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2115 1 222.8501 *222.8504* 222.8504@2.9152663 1 1 1 2474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1649 1 1 1 1 1 1 2870 1 1 1 1 1 1 1 1 1366 3456 1 3079 1 1 1 1 1 3133 1 1 1 1440 1 1 2036 1 1088 1 1 1 1 1 1 1873 1 1 1 1 1 4431 1 2831 1 2647 1 4058 2612 2757 2768 1 1 1 2699 2168 1 1 1 1 1 1 1 1 2515 222.8504 *222.8555* 222.8555@1.0001029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2222 1 1 1 1 1 1 3023 1 1 1769 1 1 1803 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 2156 1 1 1 1 1 1 1 1 1 1 1 1 1 1445 1482 1 1 1 1 2783 1 2680 2803 222.8555 *222.8586* 222.8586@0.99774843 1240 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 1618 1 1189 1759 1818 1 1 1 1 1 1 1 1 1 1 1 1 2243 1 2773 1 1 1 1 1 1 1775 1 1 1 1 1 1916 1 1 1 1 1 2475 1 1 1 1 1 1 1 1 1863 1 1 1 1 1 1 1 1 1 1 1 1 222.8586 *222.8644* 222.8644@1.016831 1058 1 1 1 1 1889 1 1 1001 1 1 1 1 1 1 1 1 2660 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 1439 2149 1 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 1503 1 1 1 1 1 222.8644 *222.9627* 222.9627@1.1565887 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.9627 *223.0214* 223.0214@3.7803345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 223.0214 *223.0538* 223.0538@1.589094 1 1 2862 3785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.0538 *223.0553* 223.0553@1.404828 1 1 15878 16396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.0553 *223.1193* 223.1193@1.0323395 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 1152 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 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.1193 *223.1233* 223.1233@1.0311768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 223.1233 *223.8516* 223.8516@1.0942655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2421 1 1 2032 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 1570 1 1 1 1029 1 1 1 1401 1202 1639 1 1568 1 1 1 1 1 1 1 1 1 1 223.8516 *223.9986* C6 H8 O7 S 9670 9826 11160 12143 3898 3615 11167 11021 4111 4387 12494 12239 4356 4282 2902 3175 7008 7857 8842 9070 4629 4690 1842 2074 5967 6145 21778 22088 4826 4935 5290 5341 13699 13330 4903 5063 4228 4100 12917 12270 4172 4172 3026 3131 4253 4845 6391 6383 3059 2621 5165 4667 3274 3432 5574 5505 9725 10815 5404 4803 6241 6238 8438 8567 33232 33693 26194 27307 16689 16798 9164 8664 4941 4820 3007 3240 16560 16482 1 1 6567 6890 4106 3967 12755 12728 11640 12301 4270 4642 223.9986 *224.0111* 224.0111@1.1033838 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.0111 *224.0165* 224.0165@2.4459834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1712 1798 1 1 1 1 1 1 1 1 1 1 224.0165 *224.0191* 224.0191@2.9551678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5963 8427 1 1 1 1 1 1 1 1 1 1 224.0191 *224.0264* 224.0264@1.0733755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2491 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 1 1 1 1 1 1 1 1 1 1 224.0264 *224.0346* 224.0346@2.0298364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.0346 *224.0349* 224.0349@1.0597559 1 1 1027 1326 1 1 1 1 1963 1 1583 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 1 1 1 1144 1 1 1 1 1 1958 1 1613 1825 1 1 1087 1414 1 1 1 1 1 1 1 1 1 1 1 1 2089 2152 1438 1 1 1643 1 1 1 1 1 1 2083 2421 1683 1996 3248 3095 1 1 224.0349 *224.0389* 224.0389@2.0338287 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.0389 *224.0573* 224.0573@3.0132716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 224.0573 *224.0686* 224.0686@2.345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 224.0686 *224.0954* 224.0954@1.1923522 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.0954 *224.1372* 224.1372@1.054101 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 224.1372 *224.1403* 224.1403@1.0560008 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 2544 1 1 1 1 1 1 1 1 1 1 1 1 1 2234 1 1 1 1 1 1835 1 2334 2100 1 1 1977 1 1 1 1 1 1 1 1 1591 1 1 3880 2115 1 1 1 1 1 1 1 1 1 1 1 1 2226 1 1 1 1 1 1 1 224.1403 *224.169* 224.169@1.139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 224.169 *224.1755* 224.1755@1.1536555 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 1774 1858 1 1 1 1 1 1 1 1 1276 1 1 1 1 1 1 1 1 1 1239 1 3444 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 1119 224.1755 *224.1763* 224.1763@1.2214469 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 1521 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 1 1 1 1 1 1 1 1102 1 224.1763 *224.8469* 224.8469@1.1981447 1572 1095 1 1 1 1 1438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2264 1 1 2285 1 1 1 1 1 1 1 1 2384 1 1652 1 2160 2017 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 1748 1 1 1 1 1 1 1 1 1 3246 1 2613 1 1 1 1 1 5485 1 224.8469 *224.847* 224.847@1.1611245 1744 1999 1 1 1 1 2851 3954 1675 1 1 1 1 2606 1 1 1 1 1 1491 1238 1282 1 1 1 2383 4591 1 1 4849 1 2080 4797 1 2369 1581 1 4926 1655 1 2344 1 4257 1202 1 1 1865 1 2574 2122 1 1 1 4153 1720 4441 1 4114 1 4646 1 1 1 3048 2550 2355 1 1 2857 2420 1401 1 1 1 4795 1 1 1 7386 1 1021 4480 2442 1 1884 4993 4498 1470 4070 2083 224.847 *224.8505* 224.8505@1.1069024 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.8505 *224.8658* 224.8658@1.0057262 1 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 2029 1 1 1 1 1 1 1 1 1 1 1 1 1030 2144 1839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1897 1220 1 1841 1 2336 1 1 1 1 1 1 1 1 1 1487 1 1 1 1 1 1 1 1 1 1 1 1 224.8658 *224.9889* 224.9889@3.1800506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1301 1 1 1 1 1 1 1 1 1 1 224.9889 *225.0325* 225.0325@1.999872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 225.0325 *225.0336* 225.0336@1.997214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 6121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3356 225.0336 *225.0349* C14 H8 Cl N 4192 3757 2213 2975 2691 2965 5241 1 1 2979 2189 2197 2045 2770 2747 2107 1 5353 2250 2482 5889 4136 3712 3071 3153 3331 1 2741 2378 2036 3344 2590 2275 2358 4460 4296 4095 4009 2590 1 7305 5957 2726 2784 2379 1 5016 4233 3090 3545 5318 7714 7538 5260 5677 5068 4460 3089 5782 6286 6976 6589 6155 7301 5819 8657 6814 5045 2723 2822 6921 1200 6723 4774 4770 6454 6016 3025 7158 8028 6220 1 5455 6884 3678 5171 3630 3494 6786 5938 225.0349 *225.0405* 225.0405@2.0463145 1 1828 1 1 1 1 1 1 1 1 1 1 1 1 1834 1568 1 2217 1 1 1 1742 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 2288 2208 1962 1 1 2010 1993 2121 1 1 2088 1 2308 1 1 1 2654 1 1 1652 1 1 1 1 1 1 1 1 1 1 1374 1 1449 1969 1978 1 1 1 1885 1 1979 1 225.0405 *225.0627* 225.0627@0.7644244 1 1 1 1 1 1 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 1972 1 1605 2185 2353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3171 3221 3895 3390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1810 1569 1 1 1 1 1 1 1 1 1 1 2777 2558 3869 3955 1 1 1 1 1 1 225.0627 *225.0685* 225.0685@0.9510295 1 1 1 1 1 1 1 1 1 1 2807 1 1 1 1 1 1 1 1 1 4442 1 1 1 1 1 8147 3683 1 1 1 1 1344 1 1 1 1 1 1 1 1001 1 1 1 1 1 1 1 1410 2599 1 1 2638 3699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1630 1567 1 1 1 1 1 1 1 1 2266 1 1 1 1 1 1 1 225.0685 *225.8425* 225.8425@0.7569098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2030 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 1596 2870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.8425 *225.843* 225.843@0.732666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 225.843 *225.9776* 225.9776@0.7164786 1 1 1461 1498 1 1 1 1 1 1 2203 2466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1529 1719 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 1 1 1 1322 1525 1 1 1 1 225.9776 *226.0055* 226.0055@4.5012016 1542 1 1 1 1 1 1 1 1 1 1 1 1 2143 1996 1 1 1 1 1253 1154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1157 1 1 1 1 1201 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 1 226.0055 *226.0055* 226.0055@5.057109 1 1 1 1 1 1 1 1 1 1 1 1 1 2374 1080 1 1 1 1 1904 1684 1 1 1 1 1 1 1 1 1 1 1 1850 1 3081 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 1 226.0055 *226.0058* C16 H2 O2 - 5.685513 8966 1 6149 1 6671 1 1 5233 7989 1 1725 1 2168 4588 6525 1 6527 2813 6343 2664 3307 1 1 3542 1 1 3523 2324 2426 1 3762 1 1 4075 5452 5081 3766 1 1 1 4332 1 3967 2396 1 1 1 2207 1 1 3262 1 1 1736 1 1 2428 4093 1 3122 8053 4378 1 2181 1 1 1331 1 1 2713 1 1 2774 1 1 1 1778 1 3904 1 1 1 5449 2123 1694 2628 4265 3851 1169 1 226.0058 *226.0058* 226.0058@6.1567745 2085 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 1 1 1 1 1 1 1 1 1 1 1 1 226.0058 *226.0059* C16 H2 O2 5375 6964 3961 5254 5738 5857 4427 5773 3053 1 4916 4679 6718 4244 3524 3656 4608 4865 3889 7534 6491 14163 6916 1743 1 4587 5042 4327 4494 2705 3921 1162 8019 2589 2905 2953 2340 3201 4581 4995 3775 1 2571 2328 2639 8026 5655 2406 3939 2748 2431 2864 3797 1555 1 7363 2405 3022 5038 2752 1634 4477 7507 3106 1 6972 4389 2326 2731 2218 1 1 2461 1 2392 9622 1295 8696 6311 10480 4873 1992 4316 2400 2189 2402 6968 3945 2966 1 226.0059 *226.006* 226.006@4.8376193 3218 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.006 *226.0061* 226.0061@5.6840425 2796 1 1 1 1 1 1 1 1 1 1 1 1 1 1666 1 1 1 2931 1030 2635 1 1 2212 1 1 1 1 1 1 1 1 1 1 2622 1 1 1 1 1 1 1 1 1 1 1 1 1598 1 1 1 1 1 2409 1 1 3394 1 1 1 1 1 1 1 1 1 1 1 1 1280 1 1 2002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.0061 *226.0062* 226.0062@5.1369343 1 1 1 1 1 1 1 1 1 1 1 1 1 1464 1088 1 1 1 1 1025 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 1 1 1 226.0062 *226.0063* 226.0063@5.813877 1 1 1 1 1 1 1 1 1 1 1 1 1 3169 1 1 1 1 1 1 1 1 1 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 1 1 1 1821 1 1 1 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 1 226.0063 *226.0063* 226.0063@4.3612084 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.0063 *226.0134* 226.0134@0.8382715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 226.0134 *226.0228* 226.0228@0.7651324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1874 1 1 1 1 1 1 1 1 226.0228 *226.024* C7 H11 Cl O6 1671 1694 1367 1251 1415 1432 1392 1454 2075 1894 1384 1710 1625 1625 2065 2017 1 1163 1625 1725 1467 1774 1752 1748 1368 1344 3930 4339 1624 1788 2057 2376 1707 2033 1624 1684 1940 1738 2112 2191 2055 1990 1810 2029 2100 1948 1789 1899 1642 1764 2260 1837 2038 1616 2143 2308 2476 3299 2521 2468 1522 1515 2505 2604 2412 2463 1658 1685 2072 2003 1195 1418 1321 1564 1624 1564 1 1016 2006 1 5074 1851 1569 2004 1 1 1233 1262 5773 1 226.024 *226.024* 226.024@1.2996961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7368 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3622 1 1 1 1 2390 1 1 1 226.024 *226.0311* C11 H6 N4 S 20056 13824 11359 10975 12258 12536 23530 21202 12343 12307 9819 10104 8200 7672 10224 10009 23059 25007 10175 10425 18844 17523 13085 13678 13054 13113 11498 11639 9544 9100 13279 12117 9371 9843 17920 18802 15203 15275 12599 12042 23890 25724 12185 11803 9392 9378 20513 17628 14913 14082 22034 22942 24205 25004 21491 19432 15550 14109 25860 27184 28571 32125 27969 26723 25788 26413 26494 21331 12386 12820 30706 29060 21396 22716 22437 28161 18712 24310 29579 27392 23709 24597 23227 24861 18861 19598 15109 16697 29009 27653 226.0311 *226.0345* 226.0345@2.0290484 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7331 1 2004 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 5258 1 4778 1 1 1 1 1 1 1 1 1 1 1 1 1 9505 11550 226.0345 *226.0372* C7 H7 Cl N6 O 1 5732 3466 3542 2414 2462 3533 5344 4821 1 2843 3951 4811 4554 6518 7357 5419 4928 4156 3795 4644 5547 6588 6528 5519 5177 4013 4006 5439 4743 2928 3759 1 1 1 2842 1 1 2855 3871 1 5927 1 1 3356 3549 1 1 6029 1 8475 9131 6605 5970 9027 10050 3326 3401 7749 8354 10137 7414 7297 4969 9065 8011 1 6610 4069 1 9400 9255 1 4812 1 1 1 1 8259 6907 9160 8310 5948 5225 3776 3689 6734 6999 1 1 226.0372 *226.0568* 226.0568@2.1671932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.0568 *226.0626* 226.0626@5.0215707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 226.0626 *226.0628* 226.0628@5.0636735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1562 1 1 1 1 1 1 1 1 1 1 2117 1 1 1 1 1 2200 1 1 2644 2419 1864 1 226.0628 *226.0681* 226.0681@2.8098516 1 1 1 1 1317 1 1 1 1 1 4858 1 1 1 1 1 1 1 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 1219 1 9510 1 1 1 1 1 1 1 1 1 2770 1 1 3320 2403 1 1 2825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2711 1 1 1 1 1 1442 1 1571 1 1 2672 226.0681 *226.0688* 226.0688@1.6425949 1 1 1 1 1 4598 1 1 1 1 1 9045 1 1 1 1 1 1 1 2748 1 1 1 1 1 1 1 1 2194 1 1 1 2322 1 2942 2777 1 1 1 1 1 1 1 1 1 1 1 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 1576 1 1 5307 5106 1 1 1 1 1 1 1 1 1 2075 1 1 226.0688 *226.0698* 226.0698@1.6434382 1 1 1 1 4642 1 7016 7117 1 1 9174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2427 1 1 1 2381 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 2199 2000 1 1 5226 4712 1 1 8754 8253 1520 1 1654 1 10125 10051 1 1 1 1 1 1 1 1 2139 2319 4553 2422 1 1 226.0698 *226.0727* 226.0727@1.636553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5352 4986 1 1 1 1 1 1 1 1 1 1 226.0727 *226.0754* 226.0754@0.9698324 1 1 3588 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.0754 *226.1534* 226.1534@1.0561563 1 1 1 1 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 2374 3178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1714 2449 1 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 1 226.1534 *226.1555* 226.1555@1.0545932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2014 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 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 1 226.1555 *227.0121* 227.0121@1.0859435 1 1 1 1 1158 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.0121 *227.0386* 227.0386@5.84206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 227.0386 *227.8347* 227.8347@0.88972867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.8347 *227.8362* 227.8362@0.7478494 2474 2330 1 1 1 1 1 1 1407 1264 1 1 1 1 8628 8506 12914 13662 1 1 1 1 39415 38008 1 1 1 1 1224 1 8715 8359 3241 3411 1 1 25388 26092 2406 2612 1 1 1247 1 1 1 1 1 41114 60223 1 1 1 1 1 1 2846 3025 21412 20401 2385 2386 1 1 1736 2006 1 1 1 1 1 1 1 1 2003 1954 5993 5802 1 1 1 1 1 1 1 1 1 1 6783 6436 227.8362 *227.8367* 227.8367@0.7256635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.8367 *227.9283* 227.9283@1.2161822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1352 1 1 227.9283 *227.9763* 227.9763@2.891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2996 1 1 1 1 1 1 1 1 1 1 227.9763 *227.9773* 227.9773@2.924693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6009 3114 1 1 1 1 1 1 1 1 1 1 227.9773 *228.0025* C6 H9 Cl O7 267123 242257 246381 303962 378329 361487 109773 109093 300852 323308 294792 296374 252513 255956 235515 265189 1 1 267026 291994 153699 154714 260663 256031 317805 220465 406790 278495 187179 183346 340017 276744 379347 419384 267904 219342 277479 281615 382779 394148 1 1 411505 421636 404343 302888 167523 164682 43974 55469 1 1 91576 92540 20139 5155 329935 367220 1 1 1 1 1 1 121742 77895 1 1 330150 131064 36708 38089 86489 94997 55597 53106 260199 255389 1 1 38263 34043 32850 11987 426428 497483 279272 276322 22689 32453 228.0025 *228.003* C7 H13 Cl O2 S2 42517 1 1 80811 52065 1 22430 25151 1 1 64107 61114 62840 63308 39134 1 3176 1 1 64362 37681 41731 48264 51020 55540 62247 1 127754 46496 38101 91427 74932 89684 1 36229 1 40637 1 131073 79699 1 1 82773 86981 129519 136991 39675 34358 17132 19390 1 1 20976 23273 6204 1 91048 99264 1 3099 1 1 1 1 39810 43297 1 1 1 1 17054 12815 21481 26422 19946 13749 75068 70723 1 2303 18226 18362 10643 11857 96137 98167 65580 68150 14543 14978 228.003 *228.003* 228.003@3.8974113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3349 1 1 1 1 3362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.003 *228.0031* 228.0031@1.5325264 1 1 1 1 1 1 5618 1 1 1 1 1 1 15491 18759 1 1 1 1 8193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8640 1 1 1 1 1 1 1 1 1 1 6417 8127 1 1 1 1 1 1 3717 1 1 6407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.0031 *228.0031* 228.0031@3.064645 1 55512 1 51249 1 1 1 1 1 1 33389 32012 1 1 4729 1 1 1 63645 1 1254 1 1 1 27788 1 1 1 1 1 1 16118 65764 1 1 1 22860 35784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21551 14703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3013 1 8641 5151 1 1 1 1 1 5026 1 1 1 1 1 1 1 1 228.0031 *228.0031* 228.0031@3.8451927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.0031 *228.0032* 228.0032@2.6250567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4878 1 1 228.0032 *228.0032* C6 H9 Cl O7 - 2.9514015 79225 19989 117969 50273 136254 123964 39052 41003 100360 128882 95615 94415 1 121505 71121 90267 1 1 68272 136609 51520 40868 110373 73215 79963 85118 150334 150524 52083 67919 131141 121480 83298 180242 88863 86827 42003 28764 168909 69700 1 1 136801 102387 106117 130700 52811 36604 25789 24716 1 1 8838 12617 6404 2848 112067 65711 1 1 1 1 1 1 15173 19116 1 1 116317 132971 2530 1 9835 20013 2199 5080 28544 29487 1 1 7007 1 4088 4085 64066 71754 21140 20154 7797 1 228.0032 *228.0032* 228.0032@1.9500791 1 1 1 30281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18293 1 1 72038 1 1 1 1 1 1 1 1 1 24825 1 1 26560 1 1 1 1 1 1 1 1 15683 1 1 1 1 1 1966 1 15088 1 1 1 1 1 1 1 1 1 17246 1 1 1 33754 1 1 1 1 1 3813 1 1 1 1 1 5799 1 20022 34196 1 1 1 1 1 228.0032 *228.0034* 228.0034@1.4318155 9183 1 1 1 1 1 6336 1 1 53245 1 18249 1 26554 18780 1 1 1 1 25649 9557 15613 1 1 1 1 1 1 1 1 1 1 29244 1 1 1 1 12853 72339 11246 1 1 1 1 1 1 1 1 5541 2754 1 1 8670 5921 2230 1 1 1 1 1 1 1 1 1 13674 25503 1 1 1 1 2636 5619 6364 17211 5517 9286 52954 64968 1 1 9299 1 1 4758 52910 70732 1 22802 1 5149 228.0034 *228.0034* 228.0034@2.1201575 1 1 1 1 1 1 1 1 1 1 1 1 1 53774 1 1 1 1 1 83571 1 1 1 1 1 1 1 56936 1 1 1 1 1 1 1 1 1 1 121665 1 1 1 1 1 1 1 1 1 21920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46738 1 1 1 181708 1 1 1 1 1 6519 1 1 1 1 1 1 3184 1 1 1 1 1 1 1 228.0034 *228.0035* 228.0035@2.3043022 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 158298 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4329 1 1 1 1 1 1 1 1 1 1 1 2279 1 1 228.0035 *228.0035* 228.0035@1.3484697 4502 1 1 1 1 1 1 1 1 1 1 1 1 7414 4843 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 3726 1 1 1 1 5380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6131 4379 1 3126 14419 1 1 1 1 1 1 1 21265 60910 1 1 1 1 228.0035 *228.0035* 228.0035@2.9580343 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 12427 1 1 1 1 1 1 1 1 1 1 1 1 1 44124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.0035 *228.004* 228.004@4.0717945 1 1 1 1 1 1 1 1 1 1 1 1 1 1792 1414 1 1 1 1 5648 1 1 1 1 1 1 1 1 1 2672 1 1 1 1 1 1 1 4526 7647 1 1 1 8848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2819 1 1 228.004 *228.0047* 228.0047@1.3783348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 228.0047 *228.008* 228.008@2.9137623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4307 228.008 *228.0086* 228.0086@2.0223894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1506 8135 1 1 1 1 1 1 1 1 1 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 6838 4489 1 1461 1 1 1 1 4463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7144 1 228.0086 *228.0132* 228.0132@2.038564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3488 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 4079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.0132 *228.0178* 228.0178@3.0637608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 228.0178 *228.0206* 228.0206@2.03813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6404 1 1 1 1 1 1 1 1 1 2116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2202 1 1 1 1 1 1 1 1 1 1 228.0206 *228.0277* 228.0277@3.0525427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 228.0277 *228.0622* 228.0622@1.4522113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.0622 *228.0692* 228.0692@1.5371678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.0692 *228.0743* 228.0743@1.5536021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3549 1 1 1 1 1 1 1 1601 1 1 1 1 2976 2710 1 1 2837 2163 2626 2615 3050 2826 1 1 1 1 1 1 1 1 2676 1 1 1 1 1 15374 12064 2025 1 3690 3444 1 1 1 1 1 1 228.0743 *228.0783* 228.0783@1.0665653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1072 7164 6968 1 1 1 1 1 1 1 1 1 1 1 1 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 1 228.0783 *228.0798* 228.0798@3.2556157 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 2808 2620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3574 3843 1 1 1 1 2679 2623 5632 4358 2845 1 1998 1 2048 2621 2418 2105 4249 1 228.0798 *228.0805* 3,4,5-Trihydroxystilbene 1 1 1971 1 1681 1774 2699 2681 2200 1809 1435 2093 2904 3091 2650 2907 1 1 3746 4228 4912 4354 2760 2466 1 1567 3960 4032 1 1 5955 7488 2972 2871 1 1 1 1 2577 2441 1 1 1877 1 1 1130 1 1613 3985 4086 1 1 1 1 1 1428 2186 2022 1 1 1 1 1529 1 1 1 4358 4505 1800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2244 1 1305 HMDB03747 C03582 228.0805 *228.0996* 228.0996@1.1760472 1 1 1 1 2574 2520 1 1 1 1 1 1 1 1 1 1 3500 4556 1 1 1 1 1 1759 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 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 1439 1269 228.0996 *228.1046* 228.1046@1.1635842 2861 2798 1641 1612 1 1 2318 2312 1869 1 1977 1893 2784 3237 1 2023 1 1 2370 1925 1405 2373 1 1 1528 1646 2201 1930 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 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 1502 1 1 228.1046 *228.1102* 228.1102@1.974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 228.1102 *228.1164* 228.1164@1.9686302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 228.1164 *228.1236* 228.1236@1.5712694 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3621 4606 1 1 1 1 1 1 1 1 1 1 228.1236 *228.125* 228.125@1.3754696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 228.125 *228.1262* 228.1262@1.1088024 1 1 1 1 1 1 1 1 1 1 1 1 1007 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 1413 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 1 228.1262 *228.1288* 228.1288@2.0009375 1 3518 1 3065 1 1 1 1 1 4218 1 3725 1 1602 1 1 1 1 1 3464 1 1 1 1 1615 1 1615 3308 1 1 1 1 4668 1 1 1 1 1 6745 2984 1 1 1 1 1 1 2063 2210 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 2344 1 1 1 1 1 1 1 1 1 1 1 1 1 228.1288 *228.1299* 228.1299@1.0653703 1 1 1 1 1 1846 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1249 1448 1 1 1 1 1 1 228.1299 *228.1299* 228.1299@2.0702264 1 1 1 1282 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 1395 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 1 228.1299 *228.1301* 228.1301@1.2768863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3214 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 2549 1 1 1 1 1 1 1 1 1 1 1 228.1301 *228.1321* 228.1321@1.1826307 1 1 2018 2662 1 1 1 1341 1 1555 1 1 1448 1191 1 1 1 1 1 1 1 1 1314 1317 2655 2566 1 1 1 1 1531 1876 3455 1 1 1 1494 1306 1 1 1 1605 1 1 1 1 1 1 1 1 1 1 1182 1736 1 1 1 1 1 1567 1 1 1 1 1 1 1 1 1170 1 1 1 1 1 1 1 1 1 1517 1508 1485 1 1533 1375 1 1 1 1 1 1 228.1321 *228.1323* 228.1323@1.3857569 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.1323 *228.1346* 228.1346@1.0681928 1 1018 1 1 1 1 1 1 1185 2023 1121 1707 1477 1 1 1733 1747 2126 1950 1636 1 1 1 1 1 1 1 1495 1 2007 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 1278 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 1 228.1346 *228.2054* 228.2054@1.0568774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1263 1536 1 1 1 1 1644 1 1097 1285 1 1 1223 1466 3002 2932 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 1171 1 1 1 1 1 1 1 1 1 1 1040 1 1 1264 1 1 1 1 1 1 1 1 1 1 1 1 1240 1 1 1 1 1 1 1 228.2054 *228.2076* 228.2076@1.6320567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10848 10290 1 1 1 1 1 1 1 1 1 1 228.2076 *228.2079* 4,8-dimethyl-dodecanoic acid 5722 5113 12200 13144 10418 10731 10904 10151 6111 5485 15586 14646 4329 3943 4322 4351 5004 4387 6264 6624 7737 7504 4492 4549 10842 10373 19079 21231 6456 7977 9386 8684 5557 5374 8889 8945 4653 5720 8273 7784 4221 5042 6400 5472 7469 6098 13466 12438 10596 10835 6396 5832 4030 4085 11224 12188 9645 10858 7669 6339 11389 10511 13432 12597 10046 9232 28581 27706 14674 14127 6362 6339 12893 13332 6822 10044 6692 7045 5016 5549 6908 8548 8334 8811 11893 9425 12904 12819 2753 2783 228.2079 *228.8371* 228.8371@0.7393975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6802 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 1 228.8371 *229.0063* 229.0063@0.85883456 1 1 2477 2003 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 1055 1 1441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3070 2595 1 1 1220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2456 2478 1466 1299 1 1 229.0063 *229.0074* 229.0074@3.0032833 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.0074 *229.0077* 229.0077@1.8991402 1 1 1 1 1 3116 1 1 2945 1 1 1 2171 1 1 1 1 1 1599 1 1 1 8250 6676 1 1978 1 1 1 1 1298 1 1046 1 1 5047 1 1 1 1 1 1 4745 1 1 1 1 1 1 1 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 1 1 1 1 1 1612 1 1 229.0077 *229.0077* 229.0077@2.3096333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.0077 *229.0083* 229.0083@2.9334116 1 1 1 1 1 1 1 1 1 1 2414 1 3049 2381 1 1 1 1 3380 1209 1 1 1926 2044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1243 1 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 1 1 1 229.0083 *229.0111* 229.0111@1.6787255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.0111 *229.0118* 229.0118@1.3912128 1779 1 1 1 1 1 1 1 4188 1 1 1 1415 1 1993 1 1 1 4276 2229 1 1 1 1 3184 3019 6489 4394 1 1 1584 5491 5745 4378 1 1 3319 1 7918 6490 1 1 2946 4107 6050 6737 1 2043 1 1 1 1 1 1 1 1 7161 6014 1 1 1 1 1 1 1 1 1 1 2333 1757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4895 4657 1 1 229.0118 *229.0162* 229.0162@1.4146688 1 1 1 1 2892 1 1 1 1 1 3312 1 2684 1 1 1 1 1 1 1 1 1 1 4382 1 1 1 1 2312 1 3317 1 1 1935 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 4130 3308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.0162 *229.0173* 229.0173@1.6437626 1 1 1 1 1 1485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3012 1 1 6675 1 1 1 1 7545 1 6043 1 1 1 1 1 1 1 1 1 7292 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 1 229.0173 *229.0179* 229.0179@1.9608717 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 6169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2323 1 1 1 1 1 1 1 1 2564 1 1 1 1 1 1 1 2349 229.0179 *229.0185* 229.0185@1.6718339 4022 1 4010 6008 1 1354 1 1 4919 1 3749 2793 4713 5871 3929 3076 1 1 5270 5021 1 2416 1 1 5181 2867 1 1 3392 3368 1 1 7250 2374 4708 3844 4771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4957 1 4673 1 1 229.0185 *229.0192* 229.0192@1.4054836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 229.0192 *229.0251* 229.0251@1.429066 1 1 1 1 1 1 1 1 1 1 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 1 229.0251 *229.0259* 229.0259@2.0257976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4012 1 1 1 1 1 1 1 1 1 6664 1614 3535 1 1 1 1 2954 1 229.0259 *229.0265* 229.0265@2.0692008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4542 1 1 1 1 1 1 1 229.0265 *229.0315* 229.0315@1.683732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5733 1802 1 1 1 1 1 1 1 3009 1 1 1 1 229.0315 *229.0408* 229.0408@1.6168863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18691 20136 1 2607 1 1 1 1 1 1697 1 1 21405 1 1 1 1 1 1 1 4533 1 1 1 1 1 1 1 2990 1 1 1 1 3444 1 1 1 1 1 1 16286 1 8868 1 3142 1 229.0408 *229.0419* 229.0419@1.7719026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 229.0419 *229.056* 229.056@4.704438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5093 4659 1 1 1 1 1 1 1 1 1 1 229.056 *229.0918* C6 H11 N7 O3 1 1 1690 1684 1 1635 2262 2730 1 1 2847 3010 1 1 1 1 2403 2351 1745 1 1318 1817 1 1 2333 2515 2576 2299 1 1 1833 1705 1 1 1608 1620 1 1029 1 1 1 1394 2308 2296 1227 1504 2146 2309 1 1 1 2793 2698 2652 1980 2229 1 1223 1318 1 3386 3386 1874 1 3026 3710 1679 1701 2634 2889 2561 2969 3823 4024 1 2299 4657 3984 3423 3426 1928 1932 2750 2452 3679 3377 6458 5657 2037 1672 229.0918 *229.0938* 229.0938@0.7705757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1670 1 1211 1687 1736 1756 1 1 2684 2005 1116 1 1 1 1 1 1 1 1 1 1336 1 1 1 1 1 1 1 1 1 1 1513 1 1 1 1 1060 1 1 1 1 1 1244 1 1 1 1 1 1792 1645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.0938 *229.0986* 229.0986@3.000098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2122 2010 1 1 1 1 1 1 1 1 1 1 2013 1769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1236 1 1 1 3041 2683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.0986 *229.1665* LUPININE 1053 1 2495 2552 1246 1268 1470 1605 1468 1394 6501 7140 1453 1464 1333 1586 1910 1593 2297 2046 1121 1178 1644 1722 1931 2064 7414 7502 1777 1532 1 1 1184 1166 2004 1734 5199 5740 1469 1659 2760 2676 1 1 12027 11882 1008 1 1 1 1062 1201 1117 1081 3690 3323 1 1154 1509 1781 2151 2055 1669 1407 1 1447 1735 1539 1132 1023 1042 1057 1284 1364 1 1 1475 1165 2306 2783 5356 5401 2756 2296 1 1 1 1522 1463 1 C10773 229.1665 *229.1666* 229.1666@1.3459911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 229.1666 *229.9588* C4 H7 Cl N2 O3 S2 3141 3754 3101 3255 3192 3220 3205 3522 2702 2749 3172 2988 3389 2781 3165 3405 3445 3252 2555 2280 2963 2914 2857 2708 3352 2929 3364 3211 2693 2613 2958 3172 3717 3454 3617 3472 3190 3710 3192 3551 3198 3456 3369 3171 3464 3701 2830 3025 3461 3202 3583 3765 3523 3722 3384 3563 3698 3726 2883 2840 3444 3555 3185 3055 4531 4282 4370 3832 3315 3410 2689 2941 3729 3813 3470 3339 2870 3122 1912 1530 3379 3304 2735 3059 3607 3359 3344 3046 3585 3642 229.9588 *229.9815* 229.9815@0.88429886 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 1 1 1 1 1 1 1 1 229.9815 *230.0006* 230.0006@3.0653105 1 1 1 11420 1 1 1 1 1 1 1 1 1 1950 1330 1 1 1 1 1 1 6955 1 1 1 1 1 1 4840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0006 *230.0008* 230.0008@2.303712 2338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6183 1 1 230.0008 *230.0008* 230.0008@2.9388971 1 1 1 25691 1 1 1979 1 1 1 1 1 21892 1263 6896 1 1 1 22931 1 1 1577 1 26189 1 1 1 1 8526 1 1 10997 49596 12530 1 1 23933 21903 1 40865 1 1 7433 30927 1 1 1 7116 1 1 1 1 1 1777 1 1 1 27891 1 1 1 1 1 1 1 1 1 1 1 9157 1 1 1 5100 1 1 8401 1 1 1 1 1 2404 1 1 1 1 1 1 1 230.0008 *230.0008* 230.0008@3.7730203 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 1655 1 1049 1 1 1 2392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 230.0008 *230.0009* 230.0009@1.9647574 1 1 1 1 1 1 1 1 1 1 1 1 1 2139 6670 1 1 1 1 1 1 1 1 6482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4767 6046 1 15618 1 1 1 1 5651 4991 1 1 1 1 1 1 1 1 4246 1 1 1 11419 53405 9128 12191 1 1177 1807 1 1 1 1 1 12820 8029 11965 10467 1 1 1 6680 10593 6266 230.0009 *230.0009* 230.0009@2.1439266 9622 1 1 1 1 1 1 1 1 1 1 1 1 25340 1 1 1 1 1 18810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28695 1 1 1 2247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5468 1 3609 230.0009 *230.001* C15 H2 O3 16482 18381 16937 32565 15960 19850 10748 12205 17479 1 24622 18278 22608 18220 12169 16088 1 1 21501 22450 10754 14069 1 1 15447 22829 29363 1 16241 10881 1 22255 25743 24199 15408 17763 16842 18278 7286 29746 1 1 29472 21796 1 1 14966 11637 11279 11271 1 1 8243 9418 1 1 32499 32975 1 1 1 1 1 1 16269 1 1 1 1 1 7682 1 8306 5653 5836 1758 19894 18414 1 1 1 9332 1 1 30327 23815 20145 20097 1598 5736 230.001 *230.0011* 230.0011@1.3388301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7998 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0011 *230.0014* 230.0014@2.9206352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0014 *230.0016* 230.0016@1.4403232 6110 1 1 1 1 1 4180 6377 1 1 1 1 1 9376 1 1 1 1 1 1 1 1 1 3559 1 1 1 1 1 1 1 1 10496 1 1 1 1 1 1 1 1 1 1 1 1 1 2475 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 3403 8041 1 1 1 1 1 1 1 14717 1 1 1 1296 1 230.0016 *230.0018* 230.0018@4.0372005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0018 *230.002* 230.002@1.3527669 3412 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 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 2591 1 1 1 1 1 1 1 1 230.002 *230.0021* 230.0021@1.61451 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 230.0021 *230.0063* 230.0063@1.9465817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1451 2210 1 1 1 1 1 1 230.0063 *230.0063* 230.0063@1.4946616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3089 2948 1 1 2729 1 2274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1285 4784 1 1 1 4342 1 1 1 1 1 1661 8292 1 1 1 1 1 2837 1 230.0063 *230.0219* 230.0219@1.5203991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2513 230.0219 *230.0242* 230.0242@1.0933422 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0242 *230.0361* 230.0361@1.5210565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0361 *230.046* 230.046@1.303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 230.046 *230.0579* 230.0579@1.5435768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4721 3978 1 1 1288 1 1 1 1 1 1 1 1 1 1 1 230.0579 *230.0637* 230.0637@0.7463913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15150 15856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2960 1 1 1 1 1 4048 3827 1 5017 5665 5529 1 1 1 1 230.0637 *230.0694* 230.0694@0.75511867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4914 5346 1 1 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 2926 1 1 1 1 1 2805 1 1 1 1 1 1 4511 1 1 1 1 1 1 1 230.0694 *230.0714* 230.0714@1.5350065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5670 6484 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 1 230.0714 *230.0769* C6 H10 N6 O4 2287 2589 2595 1 3885 3825 1 1 3423 1 3491 3250 3018 2792 3092 3309 2848 2817 3067 3279 1 2893 1 7690 3193 3192 2691 2326 2849 3427 1997 1995 2667 1922 2471 2616 3157 3284 2685 3473 2187 1427 3080 1 3235 3189 2725 2756 1 3035 4118 3993 4034 3950 4499 4130 3124 3007 1 4873 1 1 2280 2928 1 2622 3620 3268 2261 2309 1 2869 4214 4084 2990 3388 3520 3434 1 1 1 3138 4582 4763 3427 3232 1 2882 3269 3542 230.0769 *230.0774* 230.0774@1.3935814 1 1 1 2199 1 1 3500 3386 1 1 1 1 1 1 1 1 1 1 1 1 2688 1 7518 1 1 1 1 1 1 1 1 1 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 4648 1 3484 3871 1 1 2707 1 1 1 1 1 2909 1 1 1 1 1 1 1 4945 5397 2981 1 1 1 1 1 1 1 1 1 230.0774 *230.0775* 230.0775@2.9793081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 230.0775 *230.0787* 230.0787@3.0935924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7000 1 1 1 1 1 1 1 1 1 1 230.0787 *230.0871* 230.0871@0.772135 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 9304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0871 *230.0874* 230.0874@3.1701808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 230.0874 *230.0942* Naproxen - 3.0620813 1 1 3514 3797 2812 2741 3426 3233 1 1 3615 2901 2579 2262 3249 4012 3827 4194 4960 4950 3353 3354 8420 9260 3373 2884 9929 8936 1 1 3040 3350 1 1615 1958 2219 3189 3252 7653 8349 1 1 2259 3073 1 1 2079 1 4555 4857 4764 4640 2595 2658 3219 4842 5131 5639 3229 3139 13238 13328 1 1 4110 4202 4925 5515 1 1 1467 1419 3118 3518 3246 2910 3540 3451 1 1 2229 2364 2924 2725 3210 3178 2533 1968 4267 3677 HMDB01923 C01517 230.0942 *230.0951* Naproxen 1925 1 3415 3337 3011 2955 4191 4517 1790 2349 2938 3517 4352 4099 3443 3455 2841 2595 6861 5549 4824 4425 6483 6788 3320 3600 7920 1 5078 5214 5132 5094 1945 1701 1708 2035 2121 2067 4833 5259 1 1 2484 2278 1143 1237 1 2956 5459 4930 2322 2139 1 1 3869 4042 3032 3049 2095 1964 5189 5147 3161 2965 2946 2965 6160 6358 1 1 1 1 2749 2761 1 1 1 1 1650 1541 1 1 1 1 1 1 2281 2307 2652 2523 HMDB01923 C01517 230.0951 *230.1057* 230.1057@1.6251218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2632 1 1 1 1 1 1 1 1 1 1 1 230.1057 *230.1505* 230.1505@1.1172347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 230.1505 *230.152* Dodecanedioic acid 2385 1943 2069 1739 1989 2493 2733 2719 1939 1527 2002 2247 2534 2370 2209 2099 3391 1 2004 1930 2921 2052 3064 3080 1 2647 2191 2208 1978 2432 3319 2921 3144 2561 1964 2334 2128 1984 2085 1963 2116 2048 1727 1600 2249 1888 1680 1864 2521 2176 2801 2640 3965 4199 1840 2136 1897 1888 2281 2346 2828 2957 1 1 1848 2086 1661 1770 2356 2390 1638 1703 1 1659 1829 1552 1704 1663 5249 5510 2433 2441 1859 1919 1840 1879 2033 2170 1915 1717 HMDB00623 C02678 230.152 *230.8672* 230.8672@0.75757045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 3777 4159 1 1 7748 8828 1 1 1 1 1 1 1 1 1 1 1 1148 1 1 1 1 230.8672 *230.9481* 230.9481@0.7285576 1 1 1938 2086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1620 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 1 1 1 1 1 1 1 1 1 1 1 1 230.9481 *230.9656* 230.9656@0.83481896 1 1 1 1 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 1 1 1 1 1 230.9656 *231.0055* 231.0055@2.2647989 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.0055 *231.006* 231.006@2.9875023 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.006 *231.0077* 231.0077@2.0852094 1 1 8627 1 5970 1 1 1 1 1 1 1784 1 1 1 1 1 1 1081 1 1 1 1 1045 1 1 1024 1 2347 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4151 1 2746 1 1 231.0077 *231.0085* 231.0085@1.697066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2935 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 2009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.0085 *231.0124* 231.0124@1.6220691 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 1 1 1496 1 3404 1 2405 3064 1 1 1 1 1 4614 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 1808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.0124 *231.0158* 231.0158@1.968776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3363 1 1 1 1 1 231.0158 *231.0194* C8 H9 N O5 S 14723 15199 31742 34657 15534 17762 50000 36560 25257 27929 14776 25071 38662 40091 30078 36496 35446 30681 67743 67359 45237 46348 49752 53580 16666 16924 34926 34459 26703 26666 47026 54422 38616 30481 32912 33234 68934 71536 52508 51143 57766 56877 38902 42496 37522 37708 41114 37188 19453 25870 53671 59961 65235 69202 27635 29710 19420 21921 57459 56892 65707 66730 40839 38953 36010 35202 30479 27517 59761 53381 118702 110248 25203 25541 42200 43290 59992 57539 130102 126975 101691 100815 46378 41786 106887 108948 53872 55226 82910 87188 231.0194 *231.0194* 231.0194@0.9419011 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 1 1 1 1 1 1 1 1 1 2462 1 1 1 1 1 1 1 1 3959 1 1 1 1 1 1 1 1 1 1 1 21025 1 231.0194 *231.0195* 231.0195@1.6011374 1 1 1 1 1 1 1 2708 1 1 9006 1 4025 1 1 1 1 2229 1 1 1 1 1 3653 1 1 1 1 1 1 10461 1 1 10824 1 1 1 4286 1 1 2685 2253 1 1 1 1 2034 2868 6820 1 1 3884 4574 1 1 1 1 1 1 1 1 4701 1 1 3080 3172 1 1770 1 1 1 1 1 1 2774 1 1883 2642 17506 18787 1 1 1 1 1 1 1 1 6385 1 231.0195 *231.02* 231.02@0.8351816 1 1 1250 1 32030 32612 138123 136764 1 1 1 1 137455 138968 1 1 300029 300551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12057 12050 1 1 1 1 1 1 1 1 465635 467925 1 1 1 1 1 1 1 1 190597 196086 1 1 6028 6172 1 1 1 1 1 1 324128 345160 231.02 *231.0202* 231.0202@1.7217102 1 1 1 1 1 1 1 12414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1447 1 1 1 1 1 1 1 1 1 1 1 231.0202 *231.0303* 231.0303@1.9519222 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 1 1 1 1 1 231.0303 *231.0379* 231.0379@1.9448328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.0379 *231.0457* 231.0457@6.8192797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1485 1 1 1 1 1 1 1 1 1702 1262 1 1 1 1 1 1 1 1 2943 2648 1 1 1 1 2992 2949 1967 1774 2577 2670 1 1370 2365 2396 4624 4613 1039 1141 231.0457 *231.0467* 231.0467@1.9405476 1 1 1 1 1 1 1 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 1245 1 1 1155 1 1 1 1 1 1 1 1 1724 1 1 1 1 1 2914 2161 1 1 1 1 1 1 1 1 1 1 1 3965 1 1 1 1 3139 1 1 1 1 1 1 1 1 1 2479 2222 1 1 1 1 1 1 1 1 231.0467 *231.0472* 231.0472@1.9404591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3330 1 1 1 2153 1 3483 1 1 1 1 1 1 2887 1 2274 2973 3272 1827 1 3098 1 1 1 2177 2344 1 1 1 1 1 2478 231.0472 *231.0514* 231.0514@2.883811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.0514 *231.0522* 231.0522@1.9415861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1527 1 1 1 1934 1290 1 1 1 1936 2278 2092 1 1418 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 1 231.0522 *231.0554* 231.0554@2.8586516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3885 3981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1257 2027 1 1 3614 3410 1 1 1 1 1396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4969 4631 1 1 1 1 2122 2108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.0554 *231.0627* 231.0627@1.9684416 1 1 1 1 1 1 1 1 1 1 1 1 1 1035 1 1 1 1 1 1 1 1 1 1956 1 1 1 1269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1844 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 1 1 1 1 1 1 1 231.0627 *231.0673* 231.0673@1.9658086 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.0673 *231.0709* 231.0709@6.4903383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 231.0709 *231.071* 231.071@6.400149 1 1 1 1 1 1 1 1 1 1 2202 3390 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 1 1 3258 3279 2946 1 1 1 1 1 1 3287 3316 1 1 1689 2560 1 2101 1 2564 4623 6383 1 1 1 1 4599 4441 7061 6422 4973 5460 3674 3952 7217 6574 5765 7407 2802 2225 231.071 *231.0776* 231.0776@0.8503019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1500 2014 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 1 231.0776 *231.0823* 231.0823@0.8414023 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.0823 *231.1113* 231.1113@1.639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 231.1113 *231.1457* 231.1457@0.839792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6879 5231 1 1 1 1 1 1 1 1 1 1739 1 1 1 1 1 1 1 1 1 1 1 4564 231.1457 *231.198* 231.198@0.8386461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2401 2083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1600 1499 231.198 *231.9544* 231.9544@0.9327611 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 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 1 1 1 1 1 1 1 1 1 1 231.9544 *231.9724* 231.9724@1.6995077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1774 1 1 1 1 1 1 1 1 1 1 231.9724 *232.0005* 232.0005@0.727623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 232.0005 *232.0036* 232.0036@1.0194651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20507 19328 1 1 1 1 1 1 1 1 1 1 232.0036 *232.0039* 232.0039@1.3391285 3056 1869 1998 2019 1960 1530 2843 2256 1 2159 2735 2743 2966 2478 3822 3485 2125 1964 2295 1928 2318 2337 2639 2959 1 1 1432 1 1 1 1416 1 2547 4135 2633 2315 1853 2811 2388 1374 1627 1952 1901 1 1719 1652 1828 2005 1543 1608 1 1592 1 1695 1 1 1494 1 1721 1923 1 1675 1 1 1330 2120 1841 1678 1 1 1 1 1 1 1 1 1 1 1 1 1 1324 1 1 1 1 1 1 1 1 232.0039 *232.0091* 232.0091@0.94949317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 232.0091 *232.0165* 232.0165@1.3493649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2292 1 1 1617 1 1 1 1 1 1 1 1 1 232.0165 *232.0216* 232.0216@1.4503254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3931 1 1 1 1 1 1 1 1 232.0216 *232.0227* 232.0227@1.4806106 1 1 1 1 1 1 1 1 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 1207 1 1 1968 1 1 1 1 1 1 1 3556 1 1 1 1 2753 1 1 1 1 2770 1 1603 1 1 1 1 4500 1 232.0227 *232.0387* 232.0387@1.0773934 1 1 1 1 1 1 1 1 1 1 1 1077 1 1 1100 1202 1383 1247 1 1053 1018 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 1102 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 1 232.0387 *232.0432* 232.0432@1.889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 232.0432 *232.0625* 232.0625@1.9534575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2139 1 1 1 1 1 1 1 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 1159 1 1 1 1 1 232.0625 *232.0651* 232.0651@0.7992325 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 1 1 1 1 1 232.0651 *232.0676* 232.0676@1.9613274 1 1 1 1 1 1 1 1 1 1 1053 1 1338 1574 1 1 1 1 2097 1823 1 1597 1 1 1 1 1751 1992 2124 1 1 1 1 1 1 1 1 1 1 1 1343 1 1 1 1 1 1 1 2562 2379 2131 1 1 1 1536 1278 1 1 1 1 1619 2424 1 1 1 1 3942 1 1408 1 1 1 1 1 1 1 1 1335 1 2393 1479 1 1697 1 1 1338 1 2985 2020 1162 232.0676 *232.0682* 232.0682@0.84827 1 1 1 1 2592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0682 *232.0726* 232.0726@1.9530282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0726 *232.0731* 232.0731@0.8367465 1 1 1 1 1 1 8700 8628 1 1 1 1 5965 4603 1 1017 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 4075 5693 232.0731 *232.0742* 3-(a-Naphthoxy)lactic acid 1488 2646 3638 4035 1 2918 1 1 4247 4251 3320 2806 1681 1 3192 2755 1 1 8603 8784 5236 6480 6786 7424 2325 2564 8723 7304 5161 4383 4891 4564 5008 5054 3833 2839 4974 4738 5115 3955 3863 3620 4334 4697 3467 3386 2740 3120 4368 4826 2313 2483 2353 2541 2181 2121 3905 4221 4265 4262 1928 1928 2302 2571 2817 2511 1 1 3973 3574 1747 1857 2675 2624 1 1494 1 1 4368 3832 1970 2260 2832 2865 1762 1593 4143 3622 1 1 232.0742 *232.0793* 232.0793@1.749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3938 1 1 1 1 1 1 1 1 1 1 232.0793 *232.0844* 232.0844@1.0799929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135743 138560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0844 *232.0853* 232.0853@1.1877382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 232.0853 *232.0938* 232.0938@1.4308109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9892 9684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0938 *232.1265* 232.1265@1.6295588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7769 8200 1 1 1 1 1 1 1 1 1 1 232.1265 *232.9375* 232.9375@3.4357183 1153 1 1 1 1 1 1 1 1 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 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 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.9375 *232.938* 232.938@0.8128385 1 1789 3426 3534 2082 1 3185 3221 1 2913 2618 1 2909 2681 1 1 1618 1 2017 3185 1 1 5043 3576 2343 5483 1 4668 1 1 3021 1 1827 4826 4882 2102 3088 3050 2540 1 1 4849 2617 4450 3805 4236 4786 1 1526 1883 3752 2389 3077 4648 4217 1 4933 1 4402 2964 1 1 2727 1 5089 3364 1 2249 1 1841 1400 2799 1 2475 3635 1700 1 3936 1 3405 3834 2707 1 1553 3820 1 1 4726 2315 3171 232.938 *232.938* 232.938@0.6756767 1 1 1 1 1067 1 1 3195 1 1 4882 1 1128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 1 6464 1 7002 1 2303 1 1 1 1 1 1 5271 1 1 1996 1 1077 1 1 4469 3893 1 1 1 3241 2540 1 1 2506 1 1 1 1 1 1 1 1 4025 1 4443 1 1 1 7067 1 1 1 1 1 1 4069 1 1 2325 2711 1 232.938 *232.938* 232.938@3.1047695 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.938 *232.9381* 232.9381@1.968527 14956 13724 14041 11801 11133 14313 17683 16289 14127 12314 13418 8772 13117 13362 15285 13829 16884 17466 14813 15133 16505 13925 14350 13564 12144 14674 14708 13653 15692 15349 14440 12827 14909 10963 16557 13106 15858 14695 14347 13778 17252 18668 14160 13304 15880 13514 10221 10684 17013 15232 15848 17059 11276 15464 11490 14506 13444 16130 18476 17053 10815 14995 16745 1 15800 16099 2683 12799 13580 14155 13469 16108 7187 18521 15722 14149 15060 15062 15131 13902 15930 17825 18448 17052 13911 14548 15151 14968 17209 17552 232.9381 *232.9381* 232.9381@1.2707423 4615 1 4508 2389 5197 3534 1 1 1 7237 1 4317 7838 6978 1 1 7760 1 1 4597 1738 1 1 1 1 7530 1 3918 7197 1 4491 1963 6158 5298 1 1 1 5678 4839 4940 5797 1 1 4802 6891 8960 1 1 1 1 1 1 10424 12147 5596 4321 1 1 1 8406 3928 3853 1 1 6580 6228 2062 1 5526 6303 1 1 5879 10419 11191 9964 2663 9058 1 1 5085 9350 1 1 16059 8178 6353 8311 9480 9138 232.9381 *232.9381* 232.9381@3.0128622 1 1 1 1 1 1 1 1 1 1 1 1 1 3184 1 1 1 1 1 4483 3879 1 1 1 1 1 1 1 1 1 1 1 1 3177 3426 1 1 1 7660 1 1 5743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9951 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 1052 1882 1 232.9381 *232.9382* 232.9382@1.642348 1539 1 2616 1 1 1 1 1 1 1 1 1 1 1 2338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7607 1 1 1 1 1 1 1 1 1 1 1 4801 1 1 3723 1 1 11032 22806 1 1 1 1 1 1 1 1 1 1 232.9382 *232.9383* C5 H3 N3 O2 S3 9988 1 4217 8665 1 1 1 1 3758 1 1 1 1 3976 17000 3400 16293 23962 1 2544 20221 1 1 4052 1 1 11943 12152 1 1 7973 8922 12155 9152 15895 1 4129 1339 2605 1 1 4638 1 1 9146 1 1982 1971 6758 1 9768 10451 14080 8977 17521 19663 11509 12114 5499 16321 12577 18552 12200 8477 8838 1 11481 18004 3593 1 1 1 3973 11012 12798 12934 1 2916 8142 6770 11781 1 1660 1 2275 1 1 5287 5026 4647 232.9383 *232.9383* 232.9383@2.0409434 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 1 1 1 1 1564 1 3751 1 1 1 1 1 1207 1 1 1 1 1 1 5534 1868 1 1 1 1 4216 1 1 1493 1628 1 1 1 6706 1441 1 1 1 1 1 1 1150 1 1 1 6958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.9383 *232.9384* 232.9384@2.9987352 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.9384 *232.9385* 232.9385@1.5782127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3717 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 9701 1 1 1 1 1 1 1 1 1 1 1 232.9385 *232.9385* 232.9385@1.183667 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 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 4354 1 1 1 1 1 1 1 1 232.9385 *232.9388* 232.9388@1.065379 1 1 1 1804 3099 2330 1 1 1 2315 1 1 1806 2250 1383 1 1 1 1 1779 1 1 1 1 1186 1478 1 1 1573 1 1416 1 1459 1626 1 2292 2839 1 1075 1938 1 1 1 1 1 1 1927 1 3009 1 2110 2122 1 1719 1483 1 1149 2058 2390 2294 1 1 1 1 1631 1223 1 3104 1 1 1489 1 1 1881 1634 1 2903 1642 1 1 3145 3101 1 2856 1 1 1 1 3442 4557 232.9388 *232.9389* 232.9389@1.4183359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 232.9389 *232.939* 232.939@0.96275616 1 1 1 1 1 1 1 1 1 1 1 1 2860 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 1 1 2237 1 1 1 1 1 2622 1 2223 1155 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 1 232.939 *232.9455* 232.9455@0.8910847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2497 1 1 1 1 1 1 1 1 1 1 1 232.9455 *233.0146* 233.0146@1.4257201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2935 1 1 1 1 1 1 1 1 1 1 1 1 1 1894 2921 1 1 1 1 1 233.0146 *233.0344* 233.0344@1.8335787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 233.0344 *233.0352* C11 H8 Cl N3 O 1 1 4146 1622 1 1 1587 2542 1 1 5872 4901 1751 1 1 1 6243 5149 1 2121 1938 2696 1 1 1 1 1963 4415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2813 4467 1 1 2439 2779 55674 50269 5804 6134 9230 8368 1 1 1 1 1 1 1 1 1868 2097 2598 2182 1 1 1 1 6377 5299 1 1 1 1 7725 4797 1 1 1 1 5820 7329 5385 3576 7222 8350 5815 1 233.0352 *233.0353* SULBACTAM 1 1 1844 4581 3437 3853 4929 3910 1210 1542 8648 10092 1 2035 1 1 8288 9075 1833 1 2310 1 1 1 1773 1 4099 1692 1 1 3407 4014 1 1 2475 2727 1 1480 1 1 2714 1188 6443 6260 3497 3062 5935 5562 74709 81976 3266 4204 13852 13628 1 1 2038 2290 2664 2224 3178 2731 4839 4394 4820 5222 1 3291 4855 4956 10677 11108 2786 2675 3530 3872 11271 11954 1 1782 1 1 3631 1207 13871 13427 3230 1836 3247 6114 233.0353 *233.043* 233.043@1.9511437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3314 1 1 1 1 1 1 1 1 1 233.043 *233.0597* 233.0597@1.9647926 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.0597 *233.0654* C8 H7 N7 O2 3067 2983 4835 4467 2685 2890 3832 4057 3154 3160 5036 5614 3438 3361 4231 4231 6516 6671 3730 3554 3734 4196 2833 2910 4542 4695 4755 4494 3765 4589 5087 5024 4078 4335 4302 3944 2720 3076 3230 4047 5302 5386 4359 4267 3520 3443 4347 4029 4435 4149 5394 4957 5860 5909 5008 5246 5046 5001 3968 4095 5727 5955 6061 5715 8503 8959 4334 4201 5741 6231 5424 5182 6527 6399 6664 6047 5721 5827 4610 4390 5237 5417 6955 7345 4956 5600 11853 11947 4466 4210 233.0654 *233.066* 233.066@1.9631897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 233.066 *233.0693* 233.0693@1.9594631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1572 1 1 1 1 1 1 1 1 1 1 1629 1 1 1 1 1 1 1 1 1 1 1 1428 1 1 1 1 1 1 1 1 1 1 1 233.0693 *233.0807* 233.0807@1.9813943 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.0807 *233.0861* 233.0861@1.9662906 1 1 1 1 1 1 1281 1698 1 1 1 1 1 1 1 1028 1 1 1 1 1 1 1210 1481 1 1 1634 1 1 1 1 1 1 1 1125 1 1 1 1062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1261 1 1823 1283 1 1 1196 1 1 1366 1 1 1 1 1050 1 1400 1171 1 1 1 1 1 1 1 1 1 1 1 1 1 1285 233.0861 *233.9309* 233.9309@6.6868668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2130 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 2515 1 233.9309 *233.9313* 233.9313@6.3544807 1 1 1 1 1 1 1307 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 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 1 233.9313 *233.9313* 233.9313@6.008261 1 1 1350 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 233.9313 *233.9314* Pyrophosphate 4960 5800 4668 5395 9236 5424 2980 3797 5329 1878 5915 1 5321 5468 6047 5739 3651 7467 6931 7594 2803 6924 6293 5746 4996 8186 7078 4875 5499 3040 10596 5977 6267 5041 7781 4631 8520 6978 5892 5658 8188 9401 5228 6030 7391 7086 8385 11346 11881 5417 3951 13890 1 12928 4011 4352 7136 6790 3902 9013 13393 16941 7812 14443 8755 4946 4490 4685 5860 10649 9059 1900 13104 6928 4834 1837 12782 13585 2244 14186 10682 1547 2380 1832 16191 1 2772 2647 12365 11886 HMDB00250 233.9314 *233.9314* Pyrophosphate - 4.160074 1640 13672 5031 1718 6536 5925 4677 11836 12825 1 12664 1 4127 7839 2122 7929 4664 14801 10557 1 2515 6477 5815 11159 2478 12378 3250 2328 1 9140 4049 9205 3958 11304 7271 9951 8190 12142 1285 10185 1440 2614 3624 12410 9707 12162 7735 2471 4348 12819 3823 1892 1 1 3129 9210 1 2613 15166 11706 1 1 12911 2718 6198 14422 14784 15392 12610 4392 7145 13106 2480 14228 6836 3378 1 1 15100 1869 1 16765 16894 1 1 1 16237 17268 3490 1 HMDB00250 233.9314 *233.9314* 233.9314@6.907169 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 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 1007 1 1 1 1 1 2598 1 1674 1 1 1 1 1436 2336 233.9314 *233.9315* 233.9315@2.5133367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.9315 *233.9316* C8 H4 Cl2 O2 S 3768 1 1 2455 1 1 1 1 1 1 1 1 1 7447 2810 3763 1 1442 3655 4824 2458 6127 8298 1448 1 5699 5014 1 4884 5757 1 6489 1 1 2048 2407 1 1865 1 1 1 1805 1 1 1 1 2119 1461 1 1 1190 2569 3040 1 5395 1 1 6558 3641 1900 3838 3652 1521 1 4337 3054 1 1 1 2694 1969 2707 2525 1222 1 1 1 1 1 1 2897 1926 1 1 1871 1916 2577 1 2740 1 233.9316 *233.9317* 233.9317@4.0335884 9908 1 1 1 1 1 8539 1 1 1 1 1 1 1 6031 1 9964 1 1 1 9973 9862 1 1 1923 1 3690 1 1 1 3894 1 6831 1 2375 1 1 1 4751 1 14755 4748 7175 1 1 1 1 12440 1408 1 1 1273 1 1 10280 1 1 4449 1 1 1 1 1 11362 1 1 1693 1 1 1381 1 1 3938 1 1 5776 1 1 1 1 1 1 1 1 1 1 1 1 1031 1 233.9317 *233.9317* 233.9317@2.4361641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3665 4629 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 1173 1 1 1 1 1 1 1 1 1 1 1 1 2748 1 1 1 1539 1 1 1 1 1 2062 1 1 1 1 1 1 1 1 1 1 1 1 1 2279 1 1 1 1 1 233.9317 *233.9318* Pyrophosphate - 6.828654 1 1 1 1 1943 1 1 1 1 1 1 1 1 1 1258 1 1 1 1 1 1 1 1 1 2025 1 1 1 1 1 1 1 1 1 1646 1 1 1 1 2140 1 1 1 1 1 1 1 1 1 1 2847 2849 2094 1759 1856 1 1 1532 1 1 2808 4094 1 1 2450 1 1 1447 1 1 1995 2536 1 1 1 1789 1960 4448 2256 3525 4461 2434 1854 2505 2550 2754 2683 8290 1888 2854 HMDB00250 233.9318 *233.932* 233.932@2.904074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1879 1 1 1 1547 1 1 1 1 6355 5850 1 1 1 1 1118 1931 1 1 2315 3874 1827 1 3960 2111 1531 2933 1 1 233.932 *233.9325* 233.9325@3.942959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5584 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 1 1 1 1 1 1 1 233.9325 *233.936* 233.936@1.9766816 1 1 1 3139 3818 1 1 1 1 1 3532 2676 1 1 1 1 1 1 1 1 1 2886 1 1 3272 1 1 1 1 1 1 1 1 1 1 3827 1 1 1 1 1 1 1 1 1 1 1 3567 1 1 1 1 1 1 3660 1 1 1 1 1 1 1 1 3638 1 1 4663 4416 1 1 1 1 4111 1 1 3795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.936 *233.9368* 233.9368@1.2906566 2746 1 1 1 1 1 1 1 2843 1 2732 1 4928 4260 1 1 1 1 2693 1 1 2949 1 1 1 1 2830 1 1 3340 3044 2438 2988 1 1 2280 1 1 1777 2255 1 1 2263 1962 1 1 1 1 1 2801 1 1 1 1 1 1 3216 2658 1 1 1 1 1 1 1 1 1 1 2679 2926 1 1 1 1 1 1 1646 1 1 1 1 1 2900 1 1 3482 1 1 1 1 233.9368 *234.0197* 234.0197@0.8400777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.0197 *234.0331* 234.0331@3.5682495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 234.0331 *234.0355* 234.0355@1.0408956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 234.0355 *234.053* 234.053@2.4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 234.053 *234.0554* 234.0554@1.9674687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.0554 *234.0831* 234.0831@1.9666678 1 1 1 1 1 1 1 1 1 1 1 3250 1 1 1 1 3513 3531 1 4069 1 1 1 1 1 1 1 1 1 3891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6637 6443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.0831 *234.0841* Asp Thr 11105 11619 10413 10068 10575 10209 13310 13032 14997 14445 14695 13979 7060 7162 8671 8542 21064 22723 10045 9252 11436 13241 14499 14383 9643 9660 9069 8338 8297 8195 11465 12553 12701 11900 14737 13580 13116 13668 15419 14167 17618 18320 8930 9259 11132 12414 20759 21106 12258 12555 25194 25321 29599 28129 19410 18163 9174 9501 16335 16479 29827 29287 18699 17678 21558 20360 13854 15133 16891 18432 39475 39868 14626 15155 20710 21495 24628 24094 26073 26632 26956 26240 20211 19666 32218 33406 16328 18142 20555 19582 234.0841 *234.0861* Glu Ser 1919 1976 3310 3255 3187 3220 5038 5372 5690 2101 1 1 3037 3846 5337 3319 1 1 3916 1 4796 4269 5157 5937 3505 3213 6582 6906 1 1 3936 4202 3084 3178 3535 3432 2954 2898 7225 3922 3514 3489 2567 2477 2632 2736 3216 1 1 1 1 1 1 1 5087 5667 3295 3147 4374 5168 6186 6438 3945 3783 5441 5522 7481 7475 3138 3193 4297 3852 8893 3999 4438 4855 5533 5149 6947 1 6037 5461 8153 7352 5589 5466 7565 1 6291 1 234.0861 *234.1* 234.1@1.1946205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 234.1 *234.1094* 234.1094@1.336654 1 1 1 1 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 2133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.1094 *234.1611* C15 H22 O2 1 1092 2950 2299 1260 1984 1259 1352 4258 1 4586 4576 1214 1472 4769 4036 1386 5412 4812 1266 1110 1 1270 1 2207 1850 1 1593 1 6932 5366 5378 4665 4680 1424 5349 2599 2731 1 1 1571 1564 1690 1864 5293 4306 2983 3106 2086 1883 1925 1730 1504 1560 4818 4795 2014 2049 1569 2945 3744 1 1876 2829 1436 3320 1064 3079 8436 7646 2076 3172 3441 1649 3376 3114 5499 3854 3339 3551 2036 5152 3327 6027 2522 3531 6503 6610 5013 1603 234.1611 *234.9322* 234.9322@4.102485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1958 1 1 1 1 1 1697 234.9322 *234.9336* 234.9336@3.9799352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1092 1 1 1 1 1 1 1 1 1 1 1 234.9336 *235.0487* 235.0487@2.9096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.0487 *235.0502* 235.0502@2.9330246 1 1 1 1 3330 1930 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 3300 1 1189 5094 2437 2586 1 1 1 1 4047 3873 1 1 1 1 1 1 1 1 1 1 1 1 4571 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 1 1 235.0502 *235.0547* 235.0547@2.9556777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.0547 *235.0566* 235.0566@5.845516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1040 1 1 1 1 1 1 1034 1003 1 1 235.0566 *235.0664* 235.0664@1.9624475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.0664 *235.0716* C8 H14 Cl N3 O3 1151 1518 1715 1840 1405 1372 4600 3331 1524 1189 1693 1610 3671 3636 1 1380 2382 2724 4642 5124 4017 4416 5981 5573 2114 1838 7535 7417 6800 7319 1817 1907 1 1 1426 1701 1 1123 1465 1 3049 2999 1060 1 1 1328 1360 1342 1 8940 10601 9756 1 2794 5710 5458 1760 1629 3461 3138 3499 3293 1745 1743 3367 3020 8883 8830 2200 1964 2113 2209 1831 2010 1115 1 3862 3553 5442 1 7058 7929 9146 9727 5369 4565 7740 7607 7168 6738 235.0716 *235.0758* 235.0758@1.976298 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.0758 *235.1596* 235.1596@1.0327387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.1596 *235.9833* 235.9833@1.1438862 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.9833 *235.9929* 235.9929@1.2819289 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.9929 *235.9945* 235.9945@0.7790424 1 1 1 1 1 1 1 2583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1475 1 1 1 1 1 1 1 2402 1 1 2398 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 2284 1281 2185 1 1 1 1 1173 3020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2313 1 1 235.9945 *235.9947* C10 H4 O7 1065 1 1 7490 9484 1732 1 6835 10271 1 1 1 1 10535 9009 8569 8465 1 1 1 1 1 1 7293 9063 1 1 1 1 10386 8716 8424 7536 8931 1 9526 8245 9112 11264 1 9320 8984 1 7567 2569 1 9321 6726 7657 1 8779 9290 7701 9365 6148 9247 3672 1 5945 6937 1 8781 10609 1 9775 7381 7755 8744 8260 9443 11510 9663 7334 11405 7863 8872 7533 8767 1 8540 9136 10624 8570 10569 10078 1 1540 7112 9061 8493 235.9947 *235.9984* 235.9984@1.9788624 3003 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 3474 1 1 1 1 1 1 1 1 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 1696 1 1 1616 1 1 1 1 1 1 235.9984 *236.031* 236.031@3.2598598 1 1 1 1 1 1 1 1 1 1 1 1 1 1917 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 1710 1 2000 1 1 1 1 1 2581 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 1 1 236.031 *236.032* C11 H8 O6 5252 4733 5431 6127 3954 4302 5364 3156 4983 4489 6340 5366 5009 3069 6841 4882 4798 3216 3233 4682 3965 5033 6417 3521 5513 6336 4218 4953 2593 5402 4565 5157 3060 3243 6489 6460 3597 3543 4594 4724 5559 1 4098 6204 2358 2961 4423 4936 3150 6545 6282 5327 4463 4379 2751 5572 6404 1 4997 2808 5554 5644 4752 5677 1 3305 4592 5408 2283 2243 3329 1 6038 6145 6510 5917 5452 2401 1 1 3502 4519 4539 1 5953 1 1 1 6105 1 236.032 *236.0342* 236.0342@2.9862406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 8270 4692 1 1 1 1 1 4745 1 1 1 1 1 2809 1 1882 1 1 1 3834 2043 4817 8236 5950 1 4870 236.0342 *236.0399* 236.0399@0.7370238 1 1 1 1 1 1 1 1 1 1 1574 1571 1 1 1 1 1 1 1246 1 1 1 1 1 1 1 1418 1 1 1 1 1 1 1 2666 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 1 1 1 1 2856 1 1 236.0399 *236.0445* 236.0445@2.9590633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 3420 1 1 1 1 236.0445 *236.0451* 236.0451@0.7404785 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 236.0451 *236.049* 236.049@1.6391021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4623 1 1 1 1 1 1 1 1 1 1 1 236.049 *236.0504* 236.0504@2.9528596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 236.0504 *236.063* 236.063@1.9751517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 236.063 *236.0652* C7 H12 N2 O7 1 1 2103 2036 1 1 1 2740 1 1 3139 3662 1461 1407 1 1 2916 2772 1 2834 1 1 1 1 1 1 1997 2284 1 1 1656 1830 2885 2930 1 1245 2837 3088 1 1542 1522 1596 1 1495 1 1 1749 2036 2276 2398 1 1 1 1 1 1 1 1 1 1 5061 5206 1852 1725 1807 1887 2178 1539 2519 2282 3388 3150 1 1 1 1 2949 2923 3302 2221 2772 3143 2985 3163 5865 5977 3490 3671 1 1 236.0652 *236.0671* Methoxsalen Metabolite 1781 1811 2206 2373 1 1616 5798 1 2326 1629 2189 1 4796 4899 1590 1 3296 3334 7067 7329 5676 6872 7374 8039 3298 3230 10143 10256 9314 10744 2731 2423 1 1 1 1 1264 1135 2366 1967 4042 3862 1 1250 1521 1 1 1 1 10552 12974 13101 1 1 1 7833 1 2299 4491 4415 1 1 1 1 1 1 11825 1 2604 1 1 2374 1 1 1 1 4502 1 7874 7763 10033 10201 11598 12367 6448 1 9968 10149 1 1 236.0671 *236.0672* 236.0672@2.4282365 1 1 1 1 1 1 2447 1 1 1 1 1 1 1 1 1 1 1 2912 1 2088 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 1 236.0672 *236.1029* 236.1029@1.7124984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5515 4675 1 1 1 1 1 1 1 1 1 1 236.1029 *236.1037* 236.1037@1.2564752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 236.1037 *236.1404* 236.1404@1.1938244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.1404 *236.1765* 236.1765@1.0898075 1801 2015 1773 1847 1912 2041 3323 1844 1848 1916 1618 1685 3398 3495 1855 1 1 2411 2586 2322 1678 1765 1738 1766 2100 2061 2027 2146 3968 4582 1 1 1 1 1 1 1 1 1 1 1522 1 1 1 1 1 1 1 1 1 1 1 47026 1092 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 1 236.1765 *236.9267* 236.9267@1.8878717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2139 2541 1 1 1 1 1 1 1 1 1 1 236.9267 *237.0109* 237.0109@1.963345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 237.0109 *237.0134* 237.0134@1.9675925 1 1 1 1 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 1677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1061 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 1 237.0134 *237.0349* 237.0349@2.445531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2878 1 1 1 1 1 1 1 1 13740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2393 237.0349 *237.0995* COTARNINE 1 1 1 1 1 1 1 1 1 1 1 1 3205 1 1 1 1 1 3683 4630 1 1 4248 1 1 1 1 1 4365 4554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3406 3024 2773 2040 1 1 3830 1 1 1 1 1 1 1 1 1 1 5205 1 1 1 1 1 1 1 1 1 2929 1604 1 4184 4077 4520 4426 3364 3125 2732 4229 3774 4268 3724 237.0995 *237.1001* 237.1001@3.7818475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2867 1 1 1 1 1 1 1 1 1 1 237.1001 *237.1008* 237.1008@2.08275 1 1 1 1 1 2536 1 2408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3943 2296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2622 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 1 237.1008 *237.1025* 237.1025@2.1388183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 237.1025 *237.1028* C9 H19 N O4 S 1749 1688 14122 13833 4774 5416 4775 4795 3403 3220 5770 5237 9018 9272 2763 2464 3567 3552 6700 5909 5027 5101 3215 3073 9535 9268 4610 5400 7100 7289 7653 8375 1 1 2652 2708 6430 6688 2451 2295 2572 2542 13020 14619 14056 14557 7065 6619 2542 2250 1977 1 3102 3410 4908 5112 6964 7120 2932 3482 4136 4206 12781 12328 4601 4756 1 1 11918 11447 21660 22004 1489 1469 2208 2211 8422 8255 9353 9941 4960 4380 4075 4289 5392 4922 2376 2444 1905 1667 237.1028 *237.103* C13 H11 N5 3538 3398 3755 5063 3681 4294 4667 5177 3998 3616 5156 5982 1 3899 2940 1 1 4770 1 1 4287 5219 1 3408 4960 5011 6479 6273 1 1 4291 3841 3319 3379 4544 4150 3556 3501 3671 4517 3864 4399 2932 3535 4279 3184 1 4602 5682 1 1 1 1 2716 3335 1 2961 2727 2897 2904 3252 3950 2715 3340 2697 3045 1 4434 2970 3924 2524 2714 4227 3065 1 3329 1 1 3286 1 1 1 1 1 1 1 1 1 1 1 237.103 *237.1049* 237.1049@1.2911035 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.1049 *237.105* 237.105@1.638051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9180 6765 1 1 1 1 1 1 1 1 1 1 237.105 *237.1113* C11 H15 N3 O3 1939 2479 2499 2361 3185 3135 3920 3190 3303 3063 3783 3773 3111 4269 4306 5266 1 3004 4405 4092 3933 4166 4056 4787 3603 2945 2892 2491 3530 3503 4529 4765 5621 4872 4672 4699 4312 3374 4871 5034 4430 5013 3803 3622 3799 2474 2912 3607 4858 4947 3972 4235 6480 5915 3348 3098 1 2464 2765 2490 4174 3469 2323 2147 2693 2625 2330 2192 2989 2821 2731 2681 2606 2041 2438 2390 2587 3092 4804 3673 2501 2702 3601 3656 2112 2065 2588 3210 2235 2052 237.1113 *238.0142* 238.0142@2.964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 238.0142 *238.0155* 238.0155@1.9956478 1 1 1 1 1 1 1 1 1 1 1 1 2000 1 1599 1 1 1609 1 1 1 1 1812 1734 1516 1 1 1 3028 3011 1 1 1 1 1 1094 1 1 1 1 1 1 1 1 1 1252 1 1 1849 1 1 1987 1 1 2269 1 1 1 1436 1 1 1 1 1 1 1 2819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.0155 *238.0182* C13 H6 N2 O S 1 1 1 1246 1 1 1263 1611 1 1 1 1427 1 1576 1 1 1595 1 2361 2099 2149 2148 1 1 1 1717 2785 2830 1 1 1555 1 1 1 1 1 1 1 1 1 1870 1718 1 1 1 1 1 1 2724 2796 1983 1 1 1 1 2011 1189 1250 1 1 1371 1378 1 1 1701 1162 2940 1048 1734 1821 1 1 1269 1247 1 1 1404 1 1 1 2279 1 2035 2597 1 1402 2832 2464 1205 2023 238.0182 *238.0233* 238.0233@1.3361582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1080 1 1 1 1 1 1 1 1 1 1 1 1 1359 1 1 1 1 238.0233 *238.0257* 238.0257@1.98764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2695 1 1 1 1 1 1 1 1 1 1569 1639 1 1 1860 1 1 1553 1 1 1 1 1 238.0257 *238.0311* C12 H6 N4 S 1 32700 1 1 42604 50162 55847 1400 1033 1 1 1 1 1 22222 1 1477 1 1 17267 1 1242 1 1 1 1169 1 1 1 1 1 49238 23168 1 50908 51368 33721 33209 1 1423 54654 1687 37052 39296 1 22240 47985 53618 1 1158 1811 1667 1809 1555 1 1 1 1 1881 1675 2318 2347 1719 39822 1 1 1937 1 1 1717 2628 2550 1 1 1 1388 1860 1 1 2353 2376 2281 1 1 2273 1967 1 1 2016 2210 238.0311 *238.0311* C12 H6 N4 S - 2.509882 2257 2219 2559 2675 1 1834 2844 3225 2211 2356 2603 2381 2796 4125 2196 2429 2495 2206 4569 4866 2919 2411 4000 3719 1 1 2234 2212 3279 3291 2356 2200 2251 2093 2457 2329 3576 3533 3657 1770 4083 3804 2215 2630 2580 2364 2398 2306 3247 3168 4119 4176 3872 5537 3629 3427 1805 1991 4266 4384 3993 3981 3915 3337 2220 2444 2613 2482 3170 7153 2173 3414 2044 1 1 1 2759 3175 2662 2796 3165 3176 3120 2941 3408 3514 3460 3329 4562 4762 238.0311 *238.0311* 238.0311@2.4904835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 238.0311 *238.1167* 238.1167@1.192606 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.1167 *238.1197* C8 H19 Cl N4 O2 2131 2269 1474 1208 2519 2674 2959 2309 1689 2292 2226 2229 1986 2399 3600 3181 3349 3650 3275 3168 4584 4738 5661 5788 2699 2580 1990 1878 2380 2594 11250 10532 11379 11294 11304 11277 8623 8321 6089 6885 8727 8984 2619 2517 2980 2778 4175 5175 6456 6258 11525 11225 11420 11311 6577 6527 5678 4887 6025 5862 4559 5067 3876 3819 4879 6757 7983 9197 6004 7100 5372 4997 4802 4022 3418 3346 5162 5002 10118 9664 8179 8255 7579 7979 2945 3713 7072 7021 9150 8800 238.1197 *238.191* 14-pentadecynoic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1161 1 1823 1940 1 1 1 1 1 1 5616 5917 1414 1849 3302 3055 1699 1724 1 1 3858 3544 1 1 1 1 1 1 1 1 2870 2689 4827 4767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3455 3312 1 1 1 1 1 1 1 1 2439 2431 2308 2182 3081 2866 1 1 1716 2049 2539 2761 238.191 *239.0331* 239.0331@2.1381927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10422 10080 1 1 1 1 1 1 1 1 1 1 239.0331 *239.0478* 239.0478@2.1235793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1701 1 1 1 1 1 1 1 2779 1 1 1 1 1 1 1 1 1 1 239.0478 *239.056* 239.056@1.986792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1506 1948 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 2117 2204 2247 2245 1 1 2166 1 1 1 2104 1 1 1638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.056 *239.0781* 239.0781@0.833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 239.0781 *239.0857* C5 H13 N5 O6 16732 16354 16547 16315 15893 16462 17932 18116 17801 18099 18071 18019 17811 17515 19094 18828 20475 21037 18253 18398 17240 19216 19015 19949 18271 18374 18256 14661 16658 16576 20354 20151 21111 21346 19908 20445 19125 18719 20554 20711 21721 21307 20745 20805 18543 19927 20849 20663 19395 18831 21766 22770 21555 22491 24878 22541 21900 23082 19099 17574 25477 28609 24715 24071 27682 27211 24732 27215 23460 22725 28194 26856 23040 23057 25434 25983 27118 27887 30125 29640 26880 28047 27340 27656 26645 29925 28338 27380 24946 25667 239.0857 *239.0863* 239.0863@5.695756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1359 1 1 1 1 1 1 3442 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 1 239.0863 *239.1059* 239.1059@1.639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 239.1059 *240.0294* 240.0294@2.7223277 3387 1164 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 1 1 1 1 1311 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.0294 *240.031* 240.031@1.823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 240.031 *240.0323* 240.0323@2.1897633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20198 12480 1 1 1 1 1 6373 1 1 1 1 240.0323 *240.0398* 240.0398@2.049 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7199 1 1 1 1 1 1 1 1 1 1 240.0398 *240.0458* 240.0458@2.1763568 1530 1 1 1 1 1 2347 1 1 2430 1 1 1 1 1 1 1 1 1705 1 1 1 1 1 1 1 1 1 1 1 1 1 1900 1 1 1 1 1 2228 1 1 1501 1 1 1 1 1 1 1 1 1 1 1 1 1505 1 1 1 1719 1895 1 4085 1904 1 1 1 1957 2137 1 1 1 1 1 1 1 1406 1 3034 1 1 1 1 2391 1 1 1 1 1775 3341 3075 240.0458 *240.0468* Iduronic acid 1 1789 1896 1 1 1 1 2596 1926 1 1 1 1635 1 1859 1936 3727 3495 1 1 1 1566 2182 1812 1 1 1 1 1 1 2566 2637 1 2425 2485 1 4678 4426 1 2285 3722 3535 2271 2562 1318 2160 2313 4075 1919 1347 2412 2342 3657 3208 1 1838 1859 1947 4788 3983 4354 1 5236 4371 3101 3075 1 1 2665 2870 7985 7350 1907 2357 3917 4091 3501 1 43175 43821 3265 3567 1 2258 4218 4332 2038 1 1 1 HMDB02704 C06472 240.0468 *240.0468* 240.0468@1.7537122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5454 5057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.0468 *240.0489* 240.0489@2.512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 240.0489 *240.0505* 240.0505@2.724303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38939 39334 1 1 1 1 1 1 1 1 1 1 240.0505 *240.0683* Benzaldehyde, p-amino-, thiosemicarbazone 1330 1450 1967 2203 2354 2515 1180 2356 2504 3085 3173 2819 1609 1 2422 2170 2857 3699 1664 1 2243 2412 1011 1390 1106 1387 4836 3037 1479 2399 1 1 1 1 1 1027 1 1 1 1 1 1463 1286 1087 1835 1517 1299 1306 1536 1372 3045 3022 3672 2813 1 1172 3063 1638 2144 1310 1 1 2336 1 1 1565 1242 1573 1 1306 2166 2663 3427 3609 3144 2775 1598 1990 1785 1710 1497 2335 3611 3351 5032 5256 7536 6842 1699 1578 240.0683 *240.0738* aminohippuric acid 1 1 1831 1522 2420 2250 2538 8431 2144 1992 2009 1996 3596 3778 1308 1810 2170 3283 4006 1 1915 1 2152 2227 1 1 1 1 1 1 2347 2181 2175 2321 3452 2966 2122 1975 2276 1 1950 2207 1 1642 1820 1763 1782 1616 1 1616 1858 1967 2930 2885 2133 1 1677 2391 1 1 1983 1287 1493 1689 2298 2669 3428 2883 3837 4335 1721 1727 1959 1707 1779 1781 1264 1521 4027 3909 3077 2992 2732 3551 2193 2024 2280 3104 3056 2428 240.0738 *240.0743* 240.0743@0.9504744 1 1 1 1 1 1 6796 1 1 1 1 1 1 1 1 1 1 1 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 1 240.0743 *240.0829* D-Glucoside 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2598 3077 1 1 1 1 1 1 1 3214 4570 1 1 1 1 1 1 1 1 2474 3034 2707 1 5054 1 1 1 1 1 1 1 1 1 9768 9052 2943 1292 1 1 4290 7341 1 1 11116 10745 1 1 7864 7790 1 1 1 1 49816 44870 2704 1 1 1 12484 8196 15771 11955 11590 13575 8856 1644 8997 9427 8239 16097 7099 2597 HMDB03570 240.0829 *240.0832* 240.0832@3.365252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4433 1 1 1 1 2658 1859 2234 1 1 2767 1 2589 3259 2685 1 1 2757 3437 240.0832 *240.0834* 240.0834@3.0031195 1 1 1 1 1 1 1 1 1 1 1 1 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 1451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5533 1 1 1 1 1 1 1 1 1574 1 1 1 1 1 1 1 1 1 11150 1 1 1 1 1 1 5548 6270 3135 1 1 8604 1 1 7090 1 1 3607 240.0834 *240.0844* 240.0844@3.3869257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 240.0844 *240.0983* 240.0983@1.2680011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4213 4373 1 1 1 1 1 1 1 1 1 1 1 1 1 2042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6267 5741 1 1 1 1 1420 1 5193 5399 1 1 1 1 1 1 1 1 1 1 1 1 3281 3136 1313 1 1 1 1 1 1 1 1 1 1 1 1 1 240.0983 *240.0992* 240.0992@1.1464494 1 1 1 1 1 1 1 1 1 1 10074 1 1 1 1 1 1 1 31079 30014 1 1 1 1 1 1 1 1 1 1 1 1 12900 12708 1 1 1 1 1 1 9422 8292 1 1 1 1 1 1 7793 8112 1 1 31518 30077 1 1 1 1 9743 1 35034 33260 1 1 1 1 1 1 1 1 1 1 1 1 18135 19061 9055 9411 1 1 1 1 1 1 1 1 1 1 1 1 240.0992 *240.0999* 2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid 1 1 1 1 1545 1600 2141 2092 1 1 1 9498 1 1094 1 1 2235 2246 1 1 1 1 1 1 1 1 2891 2627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2159 1755 1705 1801 1 1 2255 2850 1 1 1674 1525 1 1 1 9304 1 1 1 1 1 1 1148 1 1 1 1 1 1248 1776 1 1 1 1 2810 2270 5272 4623 4029 4184 2429 3039 5455 6681 1 1 240.0999 *240.1098* 240.1098@1.8375707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 240.1098 *240.1357* C13 H20 O4 7258 7179 7509 7708 7049 7640 7212 8404 9229 8428 8401 8458 7371 7836 8512 8105 10132 9676 8503 7811 10539 9849 11259 12154 9418 9479 7257 7092 9708 10044 11609 13287 10020 9429 8096 8249 8578 8684 9007 8955 8876 9192 7431 7224 7121 7904 7627 6510 8557 9088 11750 12420 16857 15893 8961 9340 9271 9688 6474 7643 12404 11270 6319 6099 8463 8983 9488 9492 11545 12496 6887 6733 6255 6630 7074 6395 7488 6913 14124 14804 9211 9494 11642 11382 7541 6631 10148 9817 7822 8264 240.1357 *240.9965* 240.9965@1.5683835 4382 4117 4418 2111 3778 4950 2810 5265 2235 3647 4499 1 3506 4639 4997 1675 4455 5232 4678 3252 2424 3862 4099 1 2489 1 3962 3662 3750 5001 1 4764 1 3368 1 1792 4953 1611 1856 3655 5458 5802 1 3738 3100 3629 4389 2919 4975 5621 1179 5843 1 2570 5207 5652 4118 4398 5852 6107 6402 2097 6423 1 1 6946 6607 4421 4965 5361 7140 5284 4245 6887 6057 6670 5434 6000 1 1 6989 4741 1696 7278 5033 5933 5999 6221 5247 6024 240.9965 *240.9975* 240.9975@1.5180386 1 1 1 1 1 1 1 1 2170 1 1 1 1 1 1 3150 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 1142 1 1 1 2619 1 1 1 1 1 1822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1529 2146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.9975 *240.9981* 240.9981@1.6268086 1 1 1 1 1 1 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 1 1 1049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2431 1 1 1721 1 1 1 1 1 1 1 1 1 1 1 1 1 1746 1 1 1 1 1 1 1 1 1 1 1 1 1 1812 4878 1 1 1 1 1 1008 1 240.9981 *241.0085* 241.0085@1.5512261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 241.0085 *241.0336* 241.0336@1.0697062 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 3842 4063 1 1 1 1076 1 1 1 1 241.0336 *241.0352* 241.0352@1.654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 241.0352 *241.0429* 241.0429@2.8324738 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 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 1 1 1 1 1 1 1 1 1 241.0429 *241.053* 241.053@2.6712554 1 1 1 1 1 1 1 1450 1 1 1 1 1 1 1 1 1 1 1364 2197 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 2088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.053 *241.0551* 241.0551@5.8412814 1448 1261 1786 1787 1719 1329 1576 1169 1548 1401 1928 1777 1462 1522 1299 1291 1650 1339 1858 1647 1536 1631 1939 1726 1855 1761 1692 1772 1135 1295 1902 1947 2158 2186 1618 1554 1588 1786 1842 1916 1729 1634 1594 1699 1537 1252 1005 1058 1504 1222 2688 2662 2881 3507 2006 2073 2234 2300 1706 1884 2461 2785 1189 1359 2620 2354 1909 1920 2179 2038 3559 3547 1258 1291 1953 2610 3598 3999 18975 18370 4365 4021 3251 3151 3749 3126 10333 11194 3429 3244 241.0551 *241.0858* 241.0858@3.079254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 241.0858 *241.9177* 241.9177@1.091346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 241.9177 *241.9812* 241.9812@1.3948743 1 1 1 1 1 1 1004 1582 1 1 1 1 1 1 1 1 1 1 1 1 2521 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 1738 1 1 1 1 1767 1 1 1 1 1 1 1 1985 1 1 1 1 1 1204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1672 1 1 1 1569 1 1 1 241.9812 *241.9823* C16 H2 O S 2615 2898 1 1 3081 2857 2179 1807 1 3342 1 1 1 1 3559 3451 1 3590 3046 2305 1180 1 2845 2991 2910 1 1 1 2772 1 3136 1665 2990 1 3559 3301 2895 3119 3045 2799 3944 3761 3347 3255 2692 2429 1876 1 1 3582 3701 2047 4303 4258 3871 3327 3499 2693 3898 1940 1995 3067 4173 4067 2990 2754 4249 4377 3642 1 1558 1 4939 4571 4118 4278 3708 1 3700 3920 1 1592 2412 4184 1659 1705 2142 1 2558 3929 241.9823 *241.9867* 241.9867@1.4025183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1826 1 1 1 1 241.9867 *242.0355* 242.0355@2.3602252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4727 1 1 1 4130 1353 1 242.0355 *242.0372* 1,3-Glyceryl dinitrate 2244 2099 2665 1864 3028 3249 4214 4243 2065 2156 2606 2599 3655 4000 2798 2509 2236 2536 4058 4112 3908 5321 1994 3310 6012 4249 4106 4037 9404 9715 2647 1860 1 1436 2214 2380 2506 2421 1 1728 2891 2771 2549 2608 2809 2851 3533 2700 3852 3789 1 1 1 1 1 1 1278 1 2509 2268 1 1 1799 1 1 1 1 1 1639 1957 1 1 2516 2575 1 1 1 1 1 1 1 1 1 2998 1 1 1 1 1888 2183 242.0372 *242.0417* 242.0417@2.6277246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 242.0417 *242.0441* 242.0441@1.0883671 1 1 1 1 1271 1116 1 1193 1 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 1 242.0441 *242.0452* 242.0452@2.0330935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2090 1 1 1 1 1 1 1 1 1 1 242.0452 *242.0501* 242.0501@2.0509894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.0501 *242.0573* 2-BENZOYL-5-METHOXYBENZOQUINONE 1 1 1 1 1814 1606 2469 2339 1 1 1261 1 3305 3346 1251 1620 1379 1522 3358 3858 3605 3385 1 3054 1 1 2874 3473 2079 1643 1578 1756 1851 1694 1 1 1692 1593 1817 2190 2241 2040 1 1 1 1 1 1 1613 1413 1 1574 1477 1424 1 1 1 1089 1422 1523 1 1 1149 1 1 1 1 1 1539 1856 1 1 1 1 1 1 1 1 3882 3594 1329 1525 1 1 1 1 2161 2307 2972 3021 242.0573 *242.0937* 242.0937@1.3084323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5417 1 242.0937 *242.0938* 242.0938@0.7428669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1384 1 1114 1 1 1 1 1135 1072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1517 1717 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 1 1 1 1 1 1 1 1 242.0938 *242.0942* 242.0942@1.3726338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5520 1 1 1 1 1 1 1 1 1 1 11168 16012 1 1 1 1 1 1 1 1 3106 10131 242.0942 *242.0954* 242.0954@1.2334758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11602 6727 14559 15375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 12614 12325 242.0954 *242.1411* 242.1411@1.1816001 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 242.1411 *242.1439* 242.1439@1.3329308 1 1 1 1 1 1 1 1 1 1 1 1 1865 2356 1 1 3474 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 1347 1 1 1 1 1 1 1 1 1 1 1 242.1439 *242.1476* 242.1476@1.496194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2080 1 1 1 1 5108 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2393 10746 1 1 1 1 1 1 1 1 1 1 242.1476 *242.1496* 242.1496@0.8815464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1288 1 1 1 1 1 1 1 1 1 1 242.1496 *242.1499* 242.1499@1.32769 1 3557 1 1 1 1 1 1 1 3662 1 2887 1 1 1244 3826 1 1 1 1 4511 1 3294 1096 1 1 1 1 1 4007 1 3166 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.1499 *242.1504* 242.1504@1.2651327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1696 3471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.1504 *242.1511* C13 H22 O4 11926 12254 11371 11903 12372 12271 10014 10042 14480 14624 10601 12672 8315 8052 14287 16926 18920 19215 14355 13168 23292 22808 26801 29927 13729 14575 8984 9422 19921 19653 79058 82363 59526 60052 54535 57095 41192 41490 18126 17837 38086 39841 12848 13674 15691 15297 17870 17692 17284 17908 51546 51811 53577 51342 30543 31596 23357 23043 16921 16594 21161 22162 18824 19114 33856 34712 40063 39159 53777 51400 20762 20395 32675 31592 25239 24635 14755 15363 49561 49477 43740 45032 40599 41960 15569 16455 42013 43324 56524 54214 242.1511 *242.2174* 242.2174@1.6310587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3871 1 1 1 1 1 1 1 1 1 1 242.2174 *242.2221* 242.2221@1.9750665 1 1 2572 2937 2457 2374 2597 2350 1 1 3585 2965 1 1 1 1 1 1263 1744 1 1970 1791 1 1 2208 2218 4854 5135 1 1702 2044 2180 1 1 1925 2125 1253 1 1947 1807 1 1 1390 1210 1515 1479 2985 3103 2478 2539 1553 1379 1 1 2589 2567 2287 2178 1791 1116 2690 2386 3284 2946 2080 1945 7704 7500 3083 2898 1473 1518 3087 2713 1650 2415 1582 1 1 1 1676 1793 1888 2038 2808 1 2034 2886 1 1 242.2221 *242.8918* 242.8918@1.8983653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2431 2448 1 1 1 1 1 1 1 1 1 1 242.8918 *242.9103* 242.9103@0.911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 242.9103 *243.0543* Mono-N-depropylprobenecid 4782 4429 5391 5345 8050 8248 9322 9998 4397 4367 6383 6608 15905 14603 1 1 7163 7500 15817 15465 13981 14102 12338 11769 4566 4102 13908 13446 8324 8421 7863 8121 7732 8425 3979 4013 6952 7054 8375 8210 8764 8772 5219 5710 5218 5565 3378 3208 5957 6362 8273 7534 6930 6483 5269 4966 5970 5942 6162 7099 6154 4967 5531 5321 6040 6057 5508 5022 7872 7535 3515 3093 3640 3196 2546 3164 4489 4809 15921 14806 6425 7171 6249 5508 5053 5153 9551 9806 14534 14259 243.0543 *243.0551* C14 H5 N5 3375 3250 1733 1771 1 1 2365 1774 2790 2648 1 2170 2799 2375 4351 4640 5076 4527 2692 2555 3213 3298 3035 3155 2917 3163 2564 2832 3069 3180 1996 1615 1 1 1844 1946 2771 2849 1981 1802 3422 3248 1 1 2034 2167 2893 3005 4902 4869 5285 5617 4116 4436 6431 5999 1849 1990 4090 4404 6758 6396 3033 3356 4328 4160 4726 4485 2873 2861 7063 7101 1 2024 2875 2969 4366 4376 5780 5802 6180 6216 3573 3284 2338 2763 4165 4116 4165 4486 243.0551 *243.0605* 243.0605@0.8567534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8257 8817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.0605 *243.0708* C6 H17 N3 O3 S2 1 1701 2012 1710 2577 2418 3353 3506 2501 1 3016 3094 3012 2988 2582 2480 3161 3020 3669 3474 2762 2884 3723 3748 1440 1 2548 2505 3011 2728 2863 3275 3762 4164 2940 3052 5457 5371 3708 3988 4223 4249 3170 3259 2137 2599 2231 2385 2734 2905 2668 2338 3112 2959 2713 2563 2144 2203 3637 3452 3698 3671 2811 2983 3168 2869 3350 3155 3344 3246 5175 4983 2949 3043 2581 2977 3497 3431 4595 4614 4703 4668 3523 3387 4513 4521 2895 2813 4495 4364 243.0708 *243.0828* 243.0828@6.944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 243.0828 *243.0839* 243.0839@3.9442563 1 1 1 1 1 1 1 1 1 1 1 1 1002 1 1 1270 1 1 1 1 1 1 1 1 1 1 1084 1 1 1 1 1 1 1 1 1 1 1 1 1 1552 1591 1243 1462 1 1 1 1 1511 1163 2271 1 1524 1493 1 1 1 1 1 1 1192 1 1 1 1392 1572 1 2007 1 1215 2185 1 1 1 1 1 1961 1950 5859 5757 2045 1 1 1516 2028 2546 1881 1397 1 1 243.0839 *243.1067* 243.1067@5.7853675 1 1 1 1 1 1 1 1 1467 1 1346 1924 1 1166 1 1270 1826 1914 1 1 1 1530 1 1 1 1 1 1295 1 1 1 1 1 1 1 1931 1 1 1 1 1 1 1504 1871 1 1 1 1 1 1 1 2123 1 1 2204 1 1 1 1388 1 1509 3283 2437 1 1307 1620 2114 1 1263 3107 1 1105 1655 1370 1 2521 1763 1806 3055 2908 1 2525 1541 1060 1 1 3054 7024 1 1 243.1067 *243.1073* C15 H17 N S 1 1 1228 1237 1264 1289 1566 1924 1 1055 2465 1629 1 1 1254 1 1 1 1471 1704 1630 1 1 1127 1 1279 2108 2406 1 1 1950 2213 1229 1 1364 1 1601 1584 1170 1168 1442 1 2730 2287 1477 1 2247 2275 1404 1441 2283 1 1963 2239 1 2500 1825 2350 1 1727 3438 1793 1 2196 3522 3666 1 2012 3373 1212 2668 2587 3505 4142 2529 1196 3717 3390 5360 5249 2478 1 2980 3292 3079 3121 6529 3569 1657 1852 243.1073 *243.1814* 243.1814@1.3196454 1 1 1780 1990 1 1 1 1 1 1 3188 3427 1536 1 1 1 1 1 1730 1612 1 1 1 1849 1 1 3354 2525 1 1 1 1024 1 1 1369 1 3675 2832 1 1 1643 1358 1 1 6086 5723 1 1 1 1 1096 1 1 1 1763 2664 1 1 1 1481 1 1 1 1 1406 1 1119 1 1 1 1 1 1 1 1 1 1 1 2194 2109 1607 1619 1894 1 1 1 1 1 1 1 243.1814 *243.1828* C13 H25 N O3 7999 8760 18679 18547 11341 10963 12200 11330 11741 11461 27298 28865 13411 12998 10701 10118 16697 16268 14261 14455 9276 8341 12774 12928 10934 10631 24335 24795 10620 10501 9355 9621 9993 10425 13086 13148 23967 25227 11311 12037 15466 15259 11402 11753 45058 48270 8678 8522 8433 8065 10472 10600 8166 9152 18503 18498 8524 8690 11949 12496 17297 17667 11766 11393 11801 12147 12094 12615 8716 8373 8367 8816 10960 10295 7672 7410 9812 9805 15973 15469 20688 21598 15465 15406 8041 7472 11011 12584 12735 12395 243.1828 *243.9633* 243.9633@1.494763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 243.9633 *243.966* 243.966@1.9798795 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 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 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 1 243.966 *243.9665* 243.9665@2.1384099 1 1 1 1 1 1 1 2451 1 1 1 1 3004 2754 1 1915 1 1984 1682 1 1 1 1 2722 1 1 1 1 1 2736 1 1 1 1 1 1 1 1 1 1 1 1072 1 1 1 1 1 1 1348 1 2103 3617 1886 1 1 2193 1 1 1 2315 1 1 1 1 1418 1 1604 1724 1 1 1 1 1780 2330 1 1 1 1 1 1 1 3005 1 2194 1 1 1591 1366 2175 2608 243.9665 *243.9683* 243.9683@1.47151 1 1 1 1 2085 1 1 1 1 1 1 1 1 1 1 1 1 1 2079 1 1885 1849 2984 1 1 1 1 1 1637 1655 1 1 1068 1 1 1857 1916 1 1 1 2037 1 1 1 1 1 1 1 1 1 2552 1 1 1 3182 1 1 1 2204 2739 1 2020 1 1 1 1 1 1 1 1226 1 1 1 1539 1 1 1 1 3461 1298 1 2882 1 1642 1 1 1 1 1737 1 243.9683 *243.9684* 243.9684@2.136326 1 1 1 1 1 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 1 1 1 1 1 243.9684 *243.9716* 243.9716@1.4498744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1607 1 1 1 1 1 1 1 1 1 1 243.9716 *243.9967* 243.9967@1.1179807 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.9967 *244.0194* 244.0194@1.5411817 1 1 1 1319 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 1569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1120 1 1005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0194 *244.0243* C10 H4 N4 O4 1334 1076 1741 1 1 1 1 1 1168 1552 1190 1 1789 1 1875 1740 1 1308 1523 2133 1 1 1 1747 1 1 1668 1980 1 1 1449 1418 1 1 1 1 2490 2697 1555 1735 1 1 1 1 1138 1 1 1 1286 1 1 1 1035 1479 1 1310 1 1 1 1185 1580 1 1 1 1348 1 1 1 1996 2011 1 1993 1 1 1 1 1801 1 1 1 1161 1 1 1 1003 1 1 1 1287 1 244.0243 *244.0282* 244.0282@1.5504385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1722 1 1 1 1 1 1 1 1 2110 1 1 1 1 1 1 1 1 1329 1 1121 1 1 1 1154 1 1 1 1 244.0282 *244.0353* 244.0353@1.0848755 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0353 *244.0382* 244.0382@2.839815 1 1 1 1 1 1 1658 1 1 1 1 1 1 1315 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0382 *244.0385* 244.0385@0.7196331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0385 *244.0398* 244.0398@1.081298 2933 2896 2546 2830 3027 3082 2638 1 2979 2672 2315 2932 3132 2995 3138 2757 2297 2460 2819 2688 3050 2850 2616 2841 1 1 1 1 1 1 1168 1211 1268 1 1 1 1 1245 1 1 1 1 1440 1 1176 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 1 244.0398 *244.0519* C12 H9 Cl N4 18427 16377 12283 12600 2441 2461 11693 12199 14327 13727 8916 9625 16276 15797 23629 23132 27515 25558 17431 13372 20323 19492 20282 19385 19165 19285 16615 15376 18610 17832 11020 10745 1 1 9689 11618 18169 17517 9944 7017 20730 15787 4591 3330 12341 11986 15762 16316 26960 25349 29560 31114 22801 22152 33660 33987 11439 11529 26258 25173 20919 32622 16299 19612 20582 20396 20998 20170 16903 14491 32355 31999 10692 10709 14529 12988 23482 23816 26514 25666 33859 36760 16736 15464 10854 12620 18428 19298 21611 20920 244.0519 *244.0677* 244.0677@2.4207988 1 1 1 3553 1 1 1 1 1 1 1 1 2661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5299 1 1 1 1 3163 1 1 1 5320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1953 1 1 1 1 2032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1728 1 1 1 1 1 244.0677 *244.0679* 244.0679@1.8417633 1 1 1 1 3337 1 5413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2102 1474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2561 1 1 1 1 1053 1 1 1 1159 1575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3128 1 1 1 1 1 1 1 1 1 1 1 1687 1 1 244.0679 *244.069* Uridine 196333 199306 201162 204943 160334 170111 188978 192088 252340 240539 194839 191608 209301 213085 259297 261235 208431 214033 193474 188959 168865 168172 241177 248425 206755 204759 247279 247984 196214 200371 239624 246294 183243 184398 234136 231396 216912 215261 181540 185733 296536 287017 270865 273934 255219 256910 228708 221997 212894 215173 371711 376564 260303 258950 291393 292286 326499 331318 159566 155735 243697 239878 279605 284039 213210 214104 271146 274274 232575 228569 229378 222163 319016 324159 306046 316358 236520 233658 618539 622958 218788 225444 274164 272825 296122 287823 283297 291562 248394 247389 HMDB00296 C00299 244.069 *244.0691* 244.0691@0.84184927 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0691 *244.0696* Pseudouridine 347161 346888 468556 469373 300733 306890 410136 413192 377294 372409 609622 610639 311765 308399 430901 430949 509998 512316 523286 513301 615784 613869 341038 345275 279390 270189 564084 554803 275986 278658 781679 791900 790932 789643 497044 506540 544848 544455 447075 461364 458440 463276 422926 420705 378107 381792 474936 468504 656676 665239 539581 543612 524252 521448 360984 358600 486862 492635 348278 353912 708050 709670 670913 666134 669718 669918 1343824 1364342 675538 666396 988836 978834 376386 378456 635168 656669 541487 541751 668069 645250 624566 632594 524592 530481 926198 915390 786474 800095 557688 553359 HMDB00767 C02067 244.0696 *244.0745* 3-DESMETHYL-5-DESHYDROXYSCLEROIN 1 1406 5508 5452 3773 3634 2175 2681 2064 2681 3584 3485 15151 15492 13066 13213 1 1 6706 7146 1 3053 3935 3477 2397 2533 8092 7876 3250 2674 5747 5411 8058 9035 2730 2304 2498 2536 5896 5868 1 1 3106 3465 5243 5326 1 1 1752 1942 1 1 1 1 1 1 5758 4401 1 1 1 1 1 1 1 1 1 1 2952 2788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0745 *244.0851* 244.0851@0.7699585 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0851 *244.0863* 244.0863@0.7679448 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0863 *244.0927* 244.0927@0.7607554 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 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 1 244.0927 *244.1023* 244.1023@0.75878066 1 1 1 1 1 1 1528 1303 1 1 1 1 1 1 1 1 1 1 1 1374 1 1 1 1 1570 1332 3273 3383 2022 2073 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 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 1 244.1023 *244.1048* 244.1048@2.9227855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 244.1048 *244.1093* 244.1093@0.75837713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1206 1 1 1 1 3309 3813 1 1 1 1 1 1 1 1 1 1 1 1 1548 1 1 1 1 1 1 1 1 1 1 1397 2242 2176 1 1 1 1 1589 1467 1 1 1 1 5424 5183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.1093 *244.1098* 244.1098@2.9613729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2784 5522 1 1 3106 2725 1 1 1 1 1 1 1 1 1 1 1882 1 1 1 1 1 1 1 1 1 1 1867 1 1 1 1 1 1 1 1 1 1 3565 3947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.1098 *244.1299* 244.1299@1.291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 244.1299 *244.1658* 244.1658@1.100342 1 1 1 1 1 1 1 1 1 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 1411 1592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2556 1 1 1101 1 1 1 1 3454 1 1 1 1 1746 1 1 1 1 2361 1 1416 1 1 1410 1 1 1 1 1 1 1136 1851 1 1 1 1919 2125 1 1851 244.1658 *244.1711* 244.1711@1.119326 1515 1 1076 1226 1874 2391 1696 1 1253 1835 1 2334 1390 1 2207 2201 2228 2294 1597 1586 2438 2505 1969 1933 1398 2349 1629 1581 2164 2461 1 1 1 1 1 1 1 1 1 1471 1 2245 1 1 1722 1292 1 1 1358 1725 1 1 3094 1480 1 1 1 1 1628 1 1776 1 1448 1 1 1737 1 1 1 1 1 1 1 1 1 1335 1 1 4965 5061 2518 1 1 1 1283 1 1 1 1 1 244.1711 *244.1763* 244.1763@1.1316731 1 1 1 1 1 1 1 1505 1 1 1386 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.1763 *244.1995* C10 H24 N6 O 3458 3764 6787 5695 3493 3114 4778 4848 3748 1 9909 6199 1 1 1 1 1779 1922 5526 5106 5364 6932 1 3409 1 1 7454 1 1 1 11005 13165 7646 13240 4511 1 7482 5936 3400 1 1 1 4637 3519 1 1 1 3160 8924 10243 1 4243 1 5154 1 1 1 4746 2726 1 8646 1 9164 9065 7724 8191 1 1 9093 8396 11599 15118 1 1 9277 7385 4550 3850 1 10114 6967 8801 3697 1 17119 15511 15301 13207 8727 6328 244.1995 *244.1999* 244.1999@1.6257571 1426 1 1105 1 1 1 1 1 1 1 1 1 1 1 1 1320 1 1 1 1 1 1094 1 1 1 1 1 1883 1402 1 1683 1 1 1 1622 1 1 1 1 1 1 1 1 1 1 1708 1 1 1081 1011 1 1422 1 1051 1 1 2880 1 1 1 1 1 1 1 1 1 1 1058 1 1 1 1 1 1 1 1 1630 1104 1 5994 1275 1 1 1 1094 2052 1 1 1 1 244.1999 *244.2001* 244.2001@2.196247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4625 3074 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2770 1 1 1 1 1 1 1 1 1 1 1 1 244.2001 *244.2004* 244.2004@1.6046181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 244.2004 *244.2532* C14 H32 N2 O 1 1 2045 1493 1 1 1812 1534 1 1 2843 3104 1 1 1620 1 2251 2140 2158 2646 3267 2418 1 1 1 1 2407 1 1 1 3986 3061 4089 4347 2059 1429 2314 1616 1717 1953 2135 1 1217 1485 1 1 1363 1739 3096 3542 1550 2038 2243 2309 1 1 2096 1 1 1 3387 3644 2557 1 1 1 1 1 2990 2643 6771 5427 1 1 2854 2666 2203 2481 2971 3394 2621 2727 2188 1 5340 5129 4213 4209 1 1 244.2532 *244.8892* 244.8892@1.8978667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1635 1 1 1 1 1 1 1 1 1 1 244.8892 *244.9066* 244.9066@0.9140278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5460 6269 1 1 1 1 1 1 1 1 1 1 244.9066 *244.9736* 244.9736@4.2936273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 244.9736 *244.9741* 244.9741@3.3359337 7934 1 1 1 1 1 1 1 1 1 1 1 1 1 7311 1 1 1 1 1 2789 1 1 1 1 1 1 1 1 1 7238 13799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16898 23899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2415 1 1 10958 1 1 1 1 1 1 1 1 1 1 1 5166 1 1 244.9741 *244.9743* 244.9743@4.2644067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4809 1 1 1 1 1 1291 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 3735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.9743 *244.9744* 244.9744@3.0454476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 244.9744 *244.9744* 244.9744@3.8677936 6545 1 1 1 1 1 1 1 1 1 1 1 1 9945 11468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5527 1 1 1 1 1 1 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 3806 1 1 8485 1 1 1 1 1 1 1 1 1 1 1 1955 1 1 244.9744 *244.9745* 244.9745@3.1322148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 244.9745 *244.9745* 244.9745@5.1955347 1 1 1 1 1 1 1 1 1 1 1 1 1 1430 1282 1 1 1 1 1 1290 1 1 1 1 1 1 1 1 1 1 1 2829 1 1 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 1 1 1 1 1619 1 1 1 1 1 1 1 1 1324 1 1 244.9745 *244.9746* 244.9746@3.6804817 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 2042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4081 1 1 14999 1 1 1 1 1 1 1 1 1 1 1 5482 1 1 244.9746 *244.9747* 244.9747@3.9725146 9273 1 1 1 1 1 1 1 1 1 1 1 1 1 7706 1 1 1 1 1 9736 1 1 1 1 1 1 1 1 1 1 1 18682 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 6248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2799 1 1 244.9747 *244.9747* 244.9747@4.2017226 2666 1 1 1 1 1 1 1 1 1 1 1 1 3277 6136 1 1 1 1 3726 3740 1 1 1 1 1 1 1 1 1 1 1 2815 1 1 1 1 1 7740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7239 1 1 1 1 1 1 1 1 1 1 1 1 1 12061 1 1 1 1 8301 1 1 3279 1 1 1 1 7807 1 1 1 1 1 1 9760 5809 1 244.9747 *244.9747* 244.9747@4.946804 1 1 1 1 1 1 1 1 1 1 1 1 1 1927 1194 1 1 1 1 1 2847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.9747 *244.9748* 244.9748@5.008793 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 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 1 244.9748 *244.975* 244.975@4.8523993 1 1 1 1 1 1 1 1 1 1 1 1 1 4655 2178 1 4111 1 1 1 7178 1 1 1 1 1 1 1 1 1 1 1 2915 1 8266 4261 1 1 4296 1 1 1 1 1 1 1 1 1 1 1 1 1 5879 2373 1 1 1 1 1 1 1 5151 1 1 1 1 1 1 1 1 1 1 9868 1 1 4316 1 1 1 1 1 1 1 1 1 1 1 2254 1 9651 244.975 *244.9752* 244.9752@5.836204 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 1 1 1 1 244.9752 *245.0335* 245.0335@2.926 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 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 1 245.0335 *245.07* 245.07@1.9624763 1 1 1151 1 1 1 1 1 1033 1 1 1289 2186 1960 1433 1465 1587 2075 1 1 1 1 3353 3053 1 1 1 1 1 1 1598 1 1 1240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2482 2627 3085 3253 1108 1383 1 1 1 1 1452 1 1 2040 1 1 1 1 2254 1 1 1 1343 1 1 1 1 1034 1 1 1 1 1 1 2697 2792 1 1 1 1 1 1 245.07 *245.0706* 245.0706@2.2973144 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2318 1 1 1 1 1 1 1 1 1 1 1 1 245.0706 *245.0709* 245.0709@1.6961443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.0709 *245.0727* C10 H15 N O4 S 1128 1 1 1 1064 1 1425 2285 1 1 1 1 1 1 1 1 1 1 2963 1752 2451 1909 1 1 1380 1385 3217 2901 2827 2646 1 1 1 1 1 1 1 1 1352 1 1893 1906 1189 1 1138 1 1198 1 1 1 1 1 1 1 2168 2911 1521 1159 1 1956 1 1 1479 1531 1 1835 1 2234 1357 1764 1 1218 1726 1213 1 1 2021 2093 1673 2378 2301 2245 1 1 2342 1003 2209 2660 2209 2484 245.0727 *245.0987* 245.0987@4.8685327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 245.0987 *245.9146* 245.9146@0.72251004 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 1814 1484 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 1663 1933 1 1 1 1 1269 1 245.9146 *245.948* 245.948@0.9372169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1059 1127 1 1007 1 1 1 1 1 1 1 1 1 1 1424 1614 1 1 245.948 *245.9722* C4 H8 Cl2 N4 O2 S 1 1 1325 1 1069 1 1 1 1 1 2508 2311 1 1815 1 1 2195 1897 1911 2490 1665 1839 1 1 1208 1 2197 1983 1 1 1395 1 1735 1733 1 1217 1 1 1260 1170 1669 1632 1 1 1 1 1957 1450 1 1 1738 1735 1 1184 2191 2009 1 1 1 1096 3479 1 1 1 2594 2650 2310 2298 2136 2207 1 1 2066 1946 1468 1 1 1 1203 1606 1810 1821 1 1028 2375 2006 3505 4095 1647 1 245.9722 *245.9756* 245.9756@3.9736452 1 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 1665 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 1 245.9756 *245.9757* 245.9757@3.892453 1 1 1 1 1175 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 2466 1 1722 1 1 1 1 1 1 1 1589 1 1 1273 1 1 1 1 1 1 1 1 1 1592 1 1 1 1280 1 1 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 1151 1 1 245.9757 *245.9757* 245.9757@3.6148274 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.9757 *245.9758* 245.9758@3.2566226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.9758 *246.0204* 246.0204@0.72811997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0204 *246.0495* 246.0495@3.044935 1164 1381 1 1 1 1 1 1 1409 3262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3420 2666 1 1 1 1 2447 1 1 1 5482 1 1 1 4521 1 1 1 1 1 1 1266 1 11497 2268 1 1 1 1 1 1 8689 1 23326 1 1 1 1 2822 1 6696 1 4551 2004 1 1 1 1 2852 3243 8136 1 1 10407 1 1 4102 1 1 1 4539 2745 18716 246.0495 *246.0498* 246.0498@2.9608235 1 1 1 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 9459 1 1 1 1 1 1 1 1 1 1 1 1 1 5732 1 1 1 3274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20437 1 246.0498 *246.05* C9 H6 N6 O3 10264 10626 3543 4172 1 1 3338 3176 1 2833 3758 3841 1 1 1 1 3783 3849 4198 4229 4193 3978 4210 4102 2808 1 4247 3839 2295 1 5280 5338 3814 3751 1877 2273 1975 4711 6667 6282 4875 5217 1907 2396 1 2711 3800 3896 5176 4936 2618 3960 4077 3107 3505 3782 3560 2936 3105 2906 5560 5721 4426 4213 9712 9734 2910 2642 4555 2237 7569 6834 1 1 1 2684 6093 6161 10487 10586 6167 6240 6310 6443 5955 5794 6161 6420 4152 4255 246.05 *246.05* Phosphatidyl glycerol 3075 4082 7333 7077 4712 4970 7745 7712 1799 3787 6151 6427 2839 2117 5124 6480 11576 11215 8409 8607 7871 7946 9559 9420 7290 7245 7245 1421 2022 3241 8654 9901 8553 6144 1942 9423 12885 10866 12482 12641 12351 6654 7749 8114 8923 7222 11239 11072 8074 10052 8302 8354 17393 17572 11628 11981 9751 10262 8644 17435 5709 28746 21111 21889 17224 9912 2650 3496 10424 3296 61002 61574 8589 8113 10160 10809 19737 27002 34744 34735 30354 37867 18789 12868 40175 36907 21180 15892 5369 6138 246.05 *246.0554* 246.0554@0.77129227 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 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 2231 2680 1 1 1 1 1 1 1700 1615 1 1 1 2929 1 1 1668 1661 1 1 1660 1 1708 1607 1 1 1 1 1 1 1 1 2038 1934 1 1 1 1 246.0554 *246.0613* 246.0613@1.8802702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 *246.0666* 246.0666@1.8827171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 246.0666 *246.0679* 246.0679@1.9631318 1 1 1 1 1 1 1 1 1 2272 1 1 1 1 1 1 1 1 1 1 1 1 10654 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 11016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0679 *246.0708* C7 H14 N6 S2 2037 1782 3715 3396 2371 3197 4160 6234 3576 1 4231 4238 5483 7926 6683 1 5286 6102 7767 11503 10840 6603 1 1 4342 4406 8112 9447 12566 13152 3404 5375 6848 5009 2734 4140 2351 3052 3590 3590 6560 5884 2718 3386 6364 3199 1 3822 11095 10534 1 14990 5889 7965 7726 7599 4553 4081 7084 7980 6061 5248 3029 4711 5336 5938 13419 10902 7813 3170 2053 1 5663 4686 1 1770 6099 5335 5441 8965 15689 16008 10748 8385 11664 6656 9417 13532 10001 10931 246.0708 *246.0763* 246.0763@1.1933547 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0763 *246.0766* 246.0766@1.8743916 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 1091 1 1 1 1 1 1 1 1 1 1 1 1 1352 1 1 1 1 2050 1 1 1 1 1 1 1 1 1 1 1 1 1426 1 1 1 1281 1 1233 2944 1073 1 246.0766 *246.0828* 246.0828@0.8219769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0828 *246.0843* 5,6-Dihydrouridine 41316 42420 51159 50270 34596 34499 48964 50870 44868 42860 62462 62879 42121 28672 50134 49706 61189 61994 60231 60357 79784 65523 49015 47883 31230 31771 68579 66536 40193 40429 93154 91706 80788 77689 56190 55708 60165 62915 47891 47797 55240 55196 49352 45989 46320 46588 56430 54831 89335 90682 71613 70616 59333 60182 50204 49366 55167 53144 44829 45950 67160 67464 74008 73425 71493 70249 157670 153012 67239 67032 86844 84146 42250 44977 61942 60510 50696 48677 68908 69766 64982 65946 61721 60517 84047 82914 75807 77706 63802 64244 HMDB00497 246.0843 *246.0844* 246.0844@1.8282741 1 1 1 1 1 1 1 1 1 1850 1 1 1 5190 1 1 1 1 1 1 1 14205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0844 *246.0881* 246.0881@0.8279709 1 1 1 2048 1 1332 2826 2467 1 1 1 1 2729 1 1782 1 1 1 3637 3924 1 1 2866 3286 1 1 3444 3476 1 1 2484 2867 1 1 1 1 1 1 2040 1762 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 1730 1 1 1 1 1 1 1 1 1 1 3747 3613 1 1 1 1 1 1 1 1 1931 2103 246.0881 *246.138* 246.138@1.63 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 246.138 *246.1456* 3-Hydroxydodecanedioic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1333 1694 1 1 1 1 1469 1 2809 3163 2392 2556 1899 2159 1806 1516 1 1 1687 1830 1 1 1 1 1 1 1 1 2754 2413 2744 2760 1 1 1 1 1 1 1 1 1 1 1674 1398 1074 1517 2674 2319 1 1 1108 1073 1224 1204 1 1 2357 2075 2046 2127 1518 1583 1 1 2053 2026 2381 2312 HMDB00413 246.1456 *246.9537* 246.9537@1.171383 1 1 1 1 1 2353 1 1 1 1 1 1 1 1560 1890 1 1 1 1 2209 1 1 1205 1 1 1 1 1095 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 2275 1 1 1 1 1 2505 1 1 1 1717 1 1 1 1718 1 1 1 1834 1 246.9537 *246.9537* 246.9537@1.3797576 1 1 1 1 1 1 1 1 1 2132 1 1 1 1 1692 1 1 1 1 1 1 1 2174 1154 1 1 1 1 1 1 1 2305 1 1 2439 1 1 1 1 1602 1 1 1 1 2463 1 1 1 1 1 1 1 5137 1 1 1 1 1 1431 1 1 1 1 1 1 1 1 1 1 1162 1 1 3985 1 1 1 3340 1 1 1 1 1 1 1 1 1 1 1 2877 1 246.9537 *246.9539* 246.9539@1.0421506 1 1 1 1 1262 1 1 1623 1961 1 1 1996 1 1 1870 1 1 1 1 1 1 1 1 1130 1 1119 1 1839 1 1 1 1 1 1092 1802 1137 1803 1370 1864 2358 1 1322 1370 1 1 1 1 1 1 1 1240 1428 1142 1 1 1427 1 1170 1626 1661 1 1 1 1 1 1844 1 1693 1 1 1306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.9539 *246.954* C6 H5 N3 O2 S3 1 1 1 1 1 2484 1 4711 1 2892 1 2656 1676 1 1 1255 2429 1 1 1 2590 1244 1717 1 3555 1699 1 1392 1 1 1831 1211 2260 1 1641 2469 1 1785 3106 1382 2350 1065 3254 1 1 1 1835 1 1 4535 1 1 1 1 1597 1 2233 1 1 1 1920 1 2433 1 1 2921 1 2615 1 1 1985 1388 1 1 1 2822 1 1 1 2106 1510 2310 1121 1 1 1 1 1649 1974 4027 246.954 *246.954* 246.954@1.2784315 3916 1 1 3210 2070 3906 1 1818 2881 4412 3684 1 4367 4418 3522 1447 3045 2477 1 2776 3642 1835 3847 3142 3240 1 3341 4193 5915 2052 4349 1293 5554 4910 4449 3420 3648 4281 1 2834 1 3749 4523 1 1941 3165 1 1 1 1 3117 1 4150 3684 1 1 1 3107 1427 1 1 1401 1 1 1282 2343 1593 1595 4516 3712 4077 2406 3810 2717 6836 4922 1807 1 1 1 1834 1926 1 1 3288 4665 1651 3889 2402 1941 246.954 *246.954* 246.954@2.0478964 1 1 1371 1 1575 1 1 1245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1169 1 1 1 1 1609 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 1310 1330 1 1313 1 1 3047 1 1 6825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.954 *246.9541* C14 H N S2 9568 9334 7751 8860 7907 9823 11396 8872 9437 9923 9172 9502 11028 11152 11325 9569 10333 9674 9966 9187 10261 10819 10336 9902 8200 10797 4599 9344 10174 9774 10316 11800 9949 9157 10952 9949 10135 10723 10382 10157 10594 11117 9990 9633 12396 11144 9708 10732 10431 10119 10202 8242 11372 8418 10291 10468 9234 10090 10861 10531 10276 9783 11247 11519 9883 9611 9384 8208 12635 9494 8373 11099 10918 3967 11160 1 10516 10494 9101 10926 11646 9736 10514 11344 10865 9720 8890 10108 10725 10522 246.9541 *246.9541* 246.9541@3.0975711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2571 1 2314 1 1 1 1 2059 1 1 1 1 1 1 1 1 6708 7847 1 2280 2289 2941 1 1 1628 1 1 1 1 2606 1650 1 1 1 1059 1 1 1 4773 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 1 246.9541 *246.9541* 246.9541@0.66419053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1692 1 1 1 1 1 1 1 1 1 246.9541 *246.9549* 246.9549@2.9949052 1 1 1 1 1 1 1 2652 1 1 1 1 1 1 5378 1 1485 1 1 1 1 1697 3264 1311 1 1 2735 1 3451 1 1351 1 1 1894 1615 3086 1 1 3117 1 1 1 1 1191 2214 1 1 1 1885 1 1 1 1 1636 1 1 1 1 7083 1 1 1 1398 1 1 1 3780 1 1 1 1 1 2288 1 2341 5967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.9549 *246.9551* 246.9551@1.4559957 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 3160 1 1 1 1 1 1 1 1 1 1 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 1 246.9551 *246.9556* 246.9556@3.1582272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 246.9556 *246.956* 246.956@0.8428049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 246.956 *246.9564* 246.9564@1.5965763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3710 1 1 1 1 1 2277 1 1708 1 1 1 1 1 1 1 3034 1 1777 1 1424 1 1 2200 1 2401 1 4594 1 1 1 1 1 2286 1 1 1 1 1 1472 1 1 1 2471 3364 1 1 4745 1 1 1 3484 4488 1 1 1 1 1 2530 1 3885 2612 1 1 13317 15412 1 1 1 4108 1 1 1 2652 5511 3519 246.9564 *246.9605* 246.9605@3.0390642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 246.9605 *247.014* 247.014@0.7815161 1 1 1 1 6331 5903 19575 19586 1 1 1 1 8473 7916 1 1 27535 28532 1 1 1 1 1 1 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 3847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36778 36795 1 1 1 1 1 1 1 1 14957 15585 1 1 1 1 1 1 1 1 1 1 35600 35713 247.014 *247.05* 247.05@3.0941567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3652 3692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2290 2719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3180 3152 1 1 1 1 1 1 1 1 1 1 1 1 7441 8032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1924 1 1 1 5259 5853 4588 2557 247.05 *247.0503* 247.0503@3.492122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12471 12756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.0503 *247.0726* 247.0726@3.5737965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2514 1 1 1 1 1 1 1 1 1 1 1 247.0726 *247.0831* 247.0831@1.9678581 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.0831 *247.0894* 247.0894@1.9574246 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 2043 1 1 1 1 1 1 1 1 1 1040 1 1 1 1 1 1 1989 1 1 1 1 1 1 1 1 1 1 1 247.0894 *247.0922* 247.0922@1.6291162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 247.0922 *247.9144* 247.9144@0.71950245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2270 1 1 1 1 1047 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 1536 1524 1 1 1 1 1026 1125 247.9144 *247.9656* 247.9656@1.9603451 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.9656 *247.9695* 247.9695@1.9554514 2045 1 1907 1 2063 2272 1 1 1 1 1 1 1 1 1 1622 1 1 2312 1 1 3099 2647 1 1935 1 1 1 1 1 1 1 1944 2236 1 1 2588 1 2383 1 1 1 2701 1 1 1 1 1 1 2455 1 1 1 1 1 3588 2307 2324 1 1 1 1 1 1 1 1 1 1 1 2422 1 1 1 2493 1 1 1 2150 1 1 1 1 1 3245 1 1 2405 2058 1 1 247.9695 *247.9711* 247.9711@0.763596 1 1 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 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1815 1 1 247.9711 *247.9724* 247.9724@1.9505299 1 2566 1 1 1 1 2730 4000 2694 2401 1 1 1 1 1 1 4113 2543 1 2397 3407 1 1 2281 1 1572 3188 2455 1 1 2257 1 1 1 2567 3518 1 2655 1 2453 2644 2923 1 2174 1 1 2676 2864 3764 1 4906 4865 4045 3651 2543 1 1 1 3009 2995 3565 3004 2765 3949 3667 5187 2555 3684 1 1 2841 2831 2675 1 2211 2841 2537 1 3299 3314 2931 2755 2432 1 2341 2100 1 1 3525 4252 247.9724 *247.984* 247.984@2.3436413 1 1 1 1 1 1 1 1 1 1 1 1 1102 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 1 247.984 *247.996* 247.996@1.6655312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4199 4363 1 1 1 1 1 1 1 1 1 1 247.996 *247.9964* 247.9964@0.94900787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1614 1 1 1 1 1 1 1 1 1 1 247.9964 *248.046* 248.046@2.9339614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.046 *248.0474* 248.0474@2.6436179 3372 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 1 1 1 1 1 1 1 1 1 1 1 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 1 248.0474 *248.0476* 248.0476@2.9929028 1 1 1 1 1 1 1 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 2241 5391 2460 1 2305 4279 4276 1 1 1 1 4088 4152 1 1 7326 7647 5566 6741 4002 3702 1 1 4789 4910 1 4806 1 1 2095 3315 1 1 1 1733 1 1 1 1 4188 2218 8911 1 1 1 1 1 1864 2815 1 2905 1999 1 1 3694 248.0476 *248.0506* 248.0506@2.6412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2707 1 1 1 1 1 1 1 1 1 1 1 1 3909 3691 1 1 1 1 1 1 1 1 1 1 248.0506 *248.0691* 248.0691@3.5798965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8527 8658 1 1 1 1 1 1 1 1 1 1 248.0691 *248.0693* 248.0693@2.023532 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 1 1 1 1 2658 1 1 1 1 1 1 248.0693 *248.0772* 248.0772@1.9668506 1 2629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.0772 *248.0784* 248.0784@1.1004456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4339 4058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.0784 *248.0816* Pyrimethamine 1586 1 1 2189 1 2247 1 1 3044 2307 3876 3557 2103 1 1 1 3218 2190 6014 1 1 2585 1 1 4257 1 6570 7374 1 1 1 1 1 1 1 3073 3328 1 4999 1 3373 6524 3417 1 1 2503 1 4389 4104 4283 1 1 5986 5751 1 3714 4310 1 6339 1 1 1 5633 3103 3749 3929 1 3659 1 5048 3892 3789 1 1 1 2457 4771 5484 1 1 1 1 6777 4182 1 4557 7115 1 8661 6216 C07391 248.0816 *248.0864* 248.0864@1.964116 1 1 2017 1 1886 1 1 6195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4454 1 1 3939 1 1 1 1 1 3697 1 1828 2380 1 1 3595 1 4619 1 1 1 1 1 1 2788 1 1 1 1 1 1 1 3228 1 1 3254 1 5783 8304 7088 1 1 1 1 1 1 1 1 1 1 2940 3349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.0864 *248.0936* 248.0936@1.8957247 1 1 1 1 1 1 5420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2285 1 1 1 1 1 1 1 1 1 1 248.0936 *248.1756* 248.1756@1.0767574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2370 1367 1793 1418 1561 1560 1 1 1381 1626 1 1668 1 1 1 1536 1 1 1040 1890 1698 1739 2032 1726 1160 1165 1 1 1592 1139 1440 2110 1 1 1284 1587 1 1 1363 1154 1275 1181 1 1 1 1049 1348 1364 1882 1906 1 1537 1555 1 1022 1 1 1 1 1171 248.1756 *248.1759* 248.1759@1.1253384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 248.1759 *249.006* 249.006@1.6342478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1245 1 1 1 1 1 1 1 1 1 1 1 1 1 18147 1 1 1 1 1 1 1 1 1 1 249.006 *249.031* 249.031@2.1958485 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 2398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2355 2192 1 1 1 1 249.031 *249.06* 249.06@5.8242774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1329 1 1 1 1 1 1 1 1 1014 1238 1004 1 1116 1331 1 1 1 1 1270 1 1 1 1939 1860 1 1 1092 1 1477 1547 1288 1791 1 1027 1735 1 1429 1515 1547 1635 1285 1263 1 1 2366 2496 1 1 249.06 *249.0623* 249.0623@3.6654918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1652 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 1027 1 1 249.0623 *249.0624* 249.0624@3.2886498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.0624 *249.0626* 249.0626@3.144424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6226 1 2533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8286 1 1 1 1 1 2376 1 1 7722 1 1 13222 1 1 249.0626 *249.0626* 249.0626@3.434501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 2499 1 1 1622 1 1 1 1 1 1 1 1 1 1 1 1190 1 1 249.0626 *249.0627* 249.0627@3.0185573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7912 1 1 1 1 1 1490 1 1 1 1 1 1941 1 1 249.0627 *249.0852* 249.0852@1.961367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1349 1 1 1 1196 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 1506 1475 1 1 1 1 1325 1 1 249.0852 *249.086* 249.086@1.9594297 1 1 1 1 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 1367 1 1 1 1 1 1 1 1 1 1 1 1 1 1149 1 1 1 1207 1 1 1 1 1364 249.086 *249.9202* 249.9202@0.91303426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4140 1 1 1 1 1 1 1 1 1 1 249.9202 *249.9663* 249.9663@5.5674486 1 1 1 1 1 1 1 3566 1 1 1 1 1 1413 1 1 1562 1 1 1 1 1 1 1552 1 1473 1371 1 1 1461 1 1 1 1 1 1633 1 1062 1036 1260 1 1 133845 1 1 1 1 1 1 1270 1 1 1 1 1 1 1 1 1417 1 1 1 1 1 1 1276 1 1 1 1 1 1 2419 1 1 1 1 1 1 1 1 1 2553 2688 2693 1 1 1 1 1 249.9663 *249.9669* 249.9669@5.63782 1 1 1 1 130916 1 1 6257 1 1927 4124 1 1 136048 10416 1 8507 1 1126 1 1515 2449 1 8036 2028 1891 7726 1 1 7161 133901 2333 1 1 1549 138164 1 7659 1392 6623 6539 1 4351 1238 5609 1 1451 1303 138142 5691 1 6438 165603 5851 1302 5281 1 6996 6198 1581 1 4756 1 5220 1 5064 1 4252 5281 1 1 1 4225 1 3740 1389 1 1 1 1 1 3848 2971 2345 1947 4871 5106 4719 1 5074 249.9669 *249.9673* 249.9673@5.7407985 136386 1 1 135029 1519 1 1495 6606 1 8769 7906 1964 16393 12076 6514 137726 7996 1650 138928 1730 9487 136115 1 5565 6082 13578 5915 14596 4922 6640 12006 4700 139852 1415 13117 4698 134568 4974 5851 6186 5911 6957 5940 6402 7360 5681 6685 6853 5878 6870 1 4595 5529 5439 6011 6613 5890 5867 6324 6470 5205 4540 5967 6769 1 7386 5588 6536 5890 1 3808 5232 6216 1 8334 2367 1 4496 3784 4276 5587 4906 4948 3682 5596 7051 3659 4270 4690 6911 249.9673 *249.9675* 249.9675@6.3120193 1 1 1 1 1 2043 1 2265 1 1 1 2804 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1551 1 1 1 1 1 1 1 1 1 4991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9675 *249.9675* 249.9675@5.3122544 1 1 1 1 1 1 1 1600 1 1 1 1 1 1 1 1138 143936 1 1 1 1 1 1 1 1 1319 1 1 1 1 2015 1 1 1 1 1 1 1 1464 1 1 1 2419 1 1 1 1 1 2793 1 1 1 2423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9675 *249.9675* 249.9675@4.260024 8680 6678 1 1 6749 1 1426 5051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9675 *249.9677* C9 H2 N2 O5 S 4094 135223 131944 2330 2094 136476 138591 136412 136308 135327 135225 140057 134618 1151 133578 2135 3166 147339 1432 136735 135133 1227 138584 139011 131747 130927 131701 134665 127594 127807 1126 133637 1659 139824 134778 1420 1437 134247 140579 142616 138596 138197 1535 132663 132062 134490 135521 135006 2702 140059 184525 182283 1280 166319 158259 157672 145639 151452 143510 144798 182317 178768 138139 138677 169339 171422 162494 166465 143742 140557 205273 208443 1603 135645 154305 154240 188153 189754 200875 200730 194980 200966 188951 193940 200757 203597 185682 190603 160169 164666 249.9677 *249.9678* 249.9678@6.896936 2196 1 1 1 2822 1 1899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9678 *249.9679* 249.9679@4.3675795 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9679 *249.968* 249.968@4.9975324 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.968 *249.978* 249.978@3.588892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3243 3071 1 1 1 1 1 1 1 1 1 1 249.978 *250.011* 250.011@0.790075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2225 1 1 1 1 1 250.011 *250.0155* 250.0155@2.9021988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6922 6005 1 1 1 1 1 1 1 1 1 1 250.0155 *250.0392* 250.0392@1.1852206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 250.0392 *250.0442* 250.0442@1.1876493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1043 250.0442 *250.0489* 2H-1-Benzopyran-6-acetic acid, 7-hydroxy-8-methoxy-2-oxo- 1 1 2580 2373 1805 2263 2393 1854 1464 1940 3937 3119 1 1971 4131 3919 1640 1 1860 1234 1 1658 3080 2739 2240 2146 1551 1504 1 2025 2763 3057 1 1 2112 1836 1 1 2357 2266 1 2245 1996 1925 1 1 1975 2135 2288 1886 1 1 1 1 1 1 2192 2444 1 1 2855 3055 1728 2124 1840 2918 2811 2132 1 1 1 1 1344 1 2728 5163 1 3028 1 1 1 1 1 1 1 1 1 1 1 1466 250.0489 *250.0559* 250.0559@3.1310668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 250.0559 *250.0678* 250.0678@2.297803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 250.0678 *250.0715* 250.0715@1.9871253 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 1 1 1 1 1 1 1 1 250.0715 *250.0787* 250.0787@1.9488503 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 1110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1263 1534 1 1 1 1 1235 1286 1 1 1 1 1 1 1 1 1107 1067 1920 1 1 1 1 1 1 1 1 1 1 1 3483 1 3291 1 1 1 1 1 1 1865 1 1 250.0787 *250.1003* 250.1003@5.4853544 1565 1 1136 1286 1 1424 1 1306 1 1 1 1374 1204 1 1 1 1 1312 1 1 1 1112 1 1505 1 1 1 1 1 1 1 1588 1 1034 1126 1 1 1441 1220 1 1 1 1 1 1 1 1 1 1 1 1690 1 1 1461 1 1 1 1 1208 1360 1 1 1 1 1 1 1 1555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.1003 *250.1411* 250.1411@1.8452601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5309 4637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.1411 *250.1527* 250.1527@1.6330559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5712 5529 1 1 1 1 1 1 1 1 1 1 250.1527 *250.156* Gemfibrozil 1 1 1 2205 8951 9928 1953 1773 1369 1395 1813 5494 6138 7296 7033 2115 6769 2295 2684 7854 2880 3424 17464 18760 6508 2561 1359 1316 3441 3890 32179 31840 12925 13068 13106 16117 9433 9956 6660 5544 20708 20811 7220 5750 7631 8556 10641 14211 21705 21225 21269 18692 40508 39425 5571 11275 12049 12201 3589 5470 18271 17683 8055 8076 6559 13199 11144 5798 17066 16152 8617 9667 8204 3735 4546 5130 11261 10661 13216 12119 19422 19070 37720 35905 3321 3475 7824 7586 6790 6444 250.156 *250.1596* 250.1596@1.1616881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1031 1606 1794 1 1 1 1 1 1 1 1 250.1596 *250.9876* 250.9876@1.1875079 1 1 1 1 1376 1735 1 1 1 1 1 1 1029 1 1 1 4046 3709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.9876 *251.0267* 251.0267@1.5342118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2609 1 1 1 1978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2484 1 1 1 1 1 1 1 251.0267 *251.0303* C10 H15 Cl2 N S 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1316 1 1078 1502 1577 1 1531 1 1 1969 1692 1388 1856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2120 2279 2340 2073 1 1 2020 1866 1 1 1363 1564 2475 1787 1 1 1018 1 1883 2195 1 1 1 1 1 1 1 1 1176 1 1 1 2119 1629 1670 1931 1196 1311 1755 1943 1778 2411 251.0303 *251.0736* 251.0736@1.52 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 251.0736 *251.0763* 251.0763@1.616566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7341 6403 1 1 1 1 1 1 1 1 1 1 251.0763 *251.104* 7-Aminonitrazepam 4176 4372 3082 3124 3490 3492 8521 8621 3770 3697 2285 2085 2096 1759 1638 1754 4789 4892 3691 3617 5698 5451 5075 5288 3724 3404 5728 5360 2292 2196 4623 4820 2606 2380 6416 6618 5196 5701 5230 5287 8313 8123 3204 3128 2258 2263 6831 7206 4158 4336 7654 8591 8525 8443 7823 7622 5094 5040 10517 9910 15606 15909 8984 8910 14768 15169 7734 7618 4579 4575 14259 14124 8017 8099 8823 8620 6542 6374 17499 17666 9878 9948 9144 9587 9882 9766 6144 6355 15341 16176 251.104 *251.1048* 251.1048@2.51 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 251.1048 *251.1512* C14 H21 N O3 10973 11088 12456 12489 13264 12918 12201 11608 12979 12343 13337 12874 11986 12475 13011 12504 13497 13728 12816 12279 13092 13517 11722 11550 14451 13998 14154 13462 12490 12127 21557 20387 13733 14066 19386 15393 15677 16040 16617 16312 16096 16946 12555 12862 17147 16772 14777 10940 13827 14394 18575 20137 24829 26144 19308 18233 15688 16707 16776 17014 14117 12724 13478 13657 23469 23584 15758 16883 24295 23673 14224 12698 16136 16042 14611 14734 17296 16247 33423 31936 19132 20143 19734 20803 19421 19981 19616 20091 17457 13655 251.1512 *251.9423* 251.9423@1.9526536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 251.9423 *251.9567* 251.9567@1.8791025 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 1 1 1 1 251.9567 *252.0222* 252.0222@1.978414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4495 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 1 252.0222 *252.0247* C11 H8 O7 1 1 1 2350 1 1567 2230 2251 1533 1 1293 2250 2776 2475 2093 2001 2440 3285 3298 3239 4228 3456 3681 4132 1479 1418 1 3789 4032 4501 1 1828 1 1 1 1717 1002 1 1 1 1876 1 2072 1 2271 1 1 1 5002 4595 6299 5333 1 1 3667 4248 2127 1256 4225 3700 3515 4758 1 1 1203 1 5030 6974 1 1528 1 2123 1847 1605 1 1 3995 4049 3300 3079 4148 4478 4742 1312 1355 1908 1 3930 4491 3489 252.0247 *252.0255* 252.0255@1.958514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6881 1 1 1 1 1 1 252.0255 *252.0627* 252.0627@1.6905127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1856 1 1 1 1 1 1 1 1 1 1 252.0627 *252.0822* 252.0822@2.1028693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 252.0822 *252.0825* 252.0825@2.8896449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 252.0825 *252.0868* 252.0868@2.0328052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 252.0868 *252.1008* 252.1008@2.3035798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4226 3650 1 1 1 1 1 1 1 1 1 1 252.1008 *252.1009* C6 H16 N6 O3 S 18970 19071 14665 14041 15250 14957 39745 38584 16564 15338 11316 10889 8676 9251 7694 8023 20777 22135 16245 17194 25277 25150 22283 23282 16117 16169 25718 24026 10103 9789 19370 21067 11336 11129 29880 29365 23963 25543 22924 23301 37077 35384 13678 13832 10168 9869 30739 30980 18404 19653 35463 34639 39029 38290 36317 33598 23275 22067 46112 47132 70411 70966 42325 41694 67818 69297 35356 35388 20233 20373 65562 62142 34373 36913 38514 40117 29270 28957 76289 75867 45297 44795 43365 43451 46445 44611 27507 29653 74150 72926 252.1009 *252.1012* 252.1012@2.5119367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5215 5689 1 1 1 1 1 1 1 1 1 1 252.1012 *252.1141* 252.1141@4.2051067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11887 11749 1 1 1 1 1 1 1 1 1 1 1 1 252.1141 *252.1427* 252.1427@1.0490627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6171 6971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.1427 *252.1501* 252.1501@1.0386612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3973 252.1501 *252.9984* 252.9984@1.1387008 1107 1 1 1 2013 1806 1 1 1 1 2396 2549 1 1 1 1 1 1 1753 1377 1386 1390 1324 1487 1587 1324 2186 2050 1292 1379 1 1 1 1 1007 1328 1 1 1 1214 1 1 1484 1481 1 1 1 1 1 1 1 1 1 1 1 1 1676 1860 1 1 1 1 1 1 1 1 1 1 1633 1459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.9984 *252.9996* 252.9996@0.83726496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2507 2434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.9996 *253.0135* C12 H3 N3 O4 1 1 1 1 1 1 1 1 1 1 1 1 2297 2412 1 1 1 1 2717 3134 2525 2224 2957 3748 1538 1361 3600 3842 5379 6323 1 1 1 1 1 1 1 1 1 1 1309 1 1 1 1 1 1 1 4556 4687 4097 4069 1 1 2855 3100 1 1 1 1 1 1 1 1 1 1 3890 3296 1 1 1 1 1 1 1 1 1 1 1 1 2172 2728 3334 1 1 1 3102 3139 1 1 253.0135 *253.0169* 253.0169@1.9690405 1 1 1 1156 1 1 2273 2691 1 1 1 1 1 1 1 1 1575 1607 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 1766 1874 1320 1723 1 1 1 1081 1 1 1 1 1 1 1 1 1 1 1280 1431 1235 1303 1 1 1 3337 1530 1756 1 1 2542 2167 253.0169 *253.0296* 253.0296@2.079571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.0296 *253.0715* 253.0715@2.998268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2056 1982 1620 1 1 1 1 1 1 1 1 1 253.0715 *253.9492* 253.9492@2.1051977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.9492 *254.007* 254.007@0.641671 1 1 1 1 1 1 1 2756 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 2050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2885 1 1 1 1 2029 2889 1 1 1 1 1 2668 254.007 *254.0092* 254.0092@1.9718266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.0092 *254.0153* C15 H7 Cl O2 1 1 1 2406 1 1 1 1 1 1806 1 1 4340 3739 1 1 1 1 8787 6241 3867 6121 3771 5452 1 2431 6433 6231 8828 1 1 1 1 1 1 1 1 1 1 2174 1 1 1 1 1 1 1 1 6722 7034 7944 7316 1 1 6470 5911 1 1 1 1 1 1 1 1 1 1 5077 5130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4518 1 1 1 5022 6118 3821 1 254.0153 *254.0228* C15 H10 S2 1890 1 2092 1940 1586 1789 5058 3870 1962 1 2157 3395 1 1 3772 1885 3736 4267 1812 2043 2561 1 2105 1991 2610 1797 1 1 1 1 1721 3366 1 3554 2128 2335 3298 3106 1638 1865 3422 6669 1 1 3237 3375 3130 3070 2069 2999 1 1 1 1 3039 3323 2205 1981 3888 3316 3936 4097 3108 7093 3692 2885 2290 2769 3069 3117 1 4001 2846 4574 1914 3699 4565 6268 1 1 4778 7091 1 9938 2289 2814 2931 1 4643 5048 254.0228 *254.0265* 254.0265@3.5828934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3203 2902 1 1 1 1 1 1 1 1 1 1 254.0265 *254.0268* 254.0268@2.0642772 1 1171 1 1 2635 1 1 4834 1 1 1 1 1 1 1 1 2805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1180 1 1 1167 2898 2891 1 1 1 1 3651 1 1 3867 3166 1 2925 1 1 1 1 3671 1 1 1 1 1 2941 1045 5655 1 1 2033 2714 1593 1 1 2442 2502 3583 3384 4521 1 3123 1 2990 3289 1 1 3236 1 1 1 5496 4746 1 1 1 5423 254.0268 *254.0274* 254.0274@1.9587249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 254.0274 *254.0384* 254.0384@1.9658165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7161 6825 1 1 1 1 1 1 1 1 1 1 254.0384 *254.0746* 254.0746@1.4353129 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.0746 *254.0819* 254.0819@1.1967164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13603 13346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.0819 *254.0852* 254.0852@0.80553114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1309 1 1 1 1 1 1 254.0852 *254.0936* 254.0936@1.761926 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.0936 *254.0971* C13 H18 O3 S 1 1 1 1 1 1 1 1 1 1 1855 1 2240 1677 1 1 1 1 1531 1 1 1 1614 1809 3050 3055 1 1 1 1 1 1 4198 4266 4065 4005 3717 4122 5150 6167 3870 4816 1 1 1 1 2864 2995 1 1 2672 1 3360 3432 1595 1 1889 2416 1 1 1471 1 1 1779 1 1 3463 3562 1 1 1 1399 1 1 1 1 1 1 1 1 3423 3265 4460 4427 1 1319 9254 10297 2256 2170 254.0971 *254.1502* 254.1502@3.3631697 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.1502 *254.1508* C14 H22 O4 9196 8409 9538 11214 8664 11043 7287 6395 10168 8487 8252 7700 7771 7832 8933 9334 18350 12246 9113 11501 10576 11213 18162 20654 8569 9228 7226 6076 12662 12749 31176 36378 27507 28142 29975 31473 26348 27656 12638 13414 19704 19620 10742 11190 14039 13608 13943 12901 12631 13445 29567 28910 34477 34024 21747 21284 18558 18844 14947 14075 16807 17839 11500 12849 20464 22136 20522 21498 31786 31644 15831 15805 14093 15088 11798 12812 10541 11240 27641 29020 21362 22244 19954 19091 12374 12689 25577 25784 28069 25446 254.1508 *254.151* 254.151@1.1958987 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 1230 1 1 1 1029 1 1 1 1 1 1639 2155 1 1 1 1 1 1 1 1 1 1576 1 2366 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 1870 1520 1 1 1 1 1 2077 254.151 *254.151* 254.151@1.27579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1820 1 1 1 1 1 1 1 3082 1 1 1 254.151 *254.1512* C10 H18 N6 O2 1 1 1 1 1 1 1 1 1 1 1498 1695 1 1 1970 1 1125 1 1 1 2306 1 1 2648 1 1 1 1 1 1 2331 2064 3136 2261 1685 1 1139 1 1 1 1841 1363 1 1 1 1 1195 1516 1403 1 1835 1747 2086 1670 1 1 1701 1 1 1385 1 1 1400 1 1708 1 1 1303 1922 1777 1 1497 1258 1389 1 1268 1 1 2095 1 2164 1977 1401 1744 1 1 1 1760 1501 1612 254.1512 *254.156* 254.156@1.0631963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.156 *254.8345* 254.8345@1.1912644 1 1 1 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 1549 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 3634 3259 1 1 1 1 2035 2224 1 1 1 1 2217 1 1 1 1 1 1 1279 2685 2863 1 1 1 1 1035 1 3183 1941 254.8345 *254.8352* 254.8352@1.2109108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 254.8352 *255.024* 255.024@1.4753608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5201 1 1 1 1 1 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 1 255.024 *255.0349* 255.0349@1.4952953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 255.0349 *255.0452* C15 H10 Cl N O 1 1721 2075 2234 1857 1 2560 2509 2100 2083 2493 2345 1590 2030 1522 1835 2546 2827 2363 2531 1974 2108 2216 2764 1948 2406 1894 1 1733 1973 2602 2668 2578 2347 3097 2681 2304 2673 2751 3081 3425 3344 2809 2675 1 1 2686 2529 2450 2292 3516 3682 3456 3428 2888 2814 2495 2189 3766 3664 4258 4484 3336 3200 3248 1 2316 2518 3105 3120 4410 4816 2429 2542 3502 3062 3554 3831 3949 4165 4668 4525 2793 3119 4369 4527 2958 3190 4039 4094 255.0452 *255.0476* 255.0476@2.4908981 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 1275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11719 11777 1 10183 1 1 1 1 1 1 1342 1 1 2513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.0476 *255.0534* C6 H13 N3 O6 S 6177 6190 6687 7296 1 1 7443 7791 1 1 2446 1 1 4601 6415 6499 1251 1593 1 6273 1 2853 10829 10979 1 1 1 1 7717 7567 1 1 2069 1620 6717 4600 8526 8195 1345 1 10511 1 1 1 1053 1 1 4036 7331 9135 1 8369 8025 8250 7655 7806 2351 2219 1 1 10745 1 7861 7323 1 2228 5925 6042 1 6129 2989 1 2265 2738 1952 2192 1 4347 1 1 3156 2711 2435 3575 1 1 1 8392 8424 8210 255.0534 *255.0599* 255.0599@2.5053582 1 1 1 1 1451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2340 8240 1 1 1 8926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.0599 *255.0725* 255.0725@2.5364528 1 1 1 1 1 1 1 1 1 1 1 4992 1 1 1 1 1 1 17516 1 1 1 1 1 1 1 1 1 1 1 1 9374 3623 1 1 4637 1 2406 1 1 1 1 1 10285 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 1 1 1 1 1 1 1 1 1 1 1 6522 1 1 1 1 1 1 1 255.0725 *255.0804* C9 H21 N O S3 1 1 1 1 4423 1 1959 1 1 1 9603 1 5843 7105 1811 1973 5936 14399 1 12371 1 8849 1 1 10362 9446 5998 5428 1835 2394 1 1 1 1 2590 1 1958 1 8104 9065 1 4963 1 1 7107 1 1 1 2954 1 1 1 1 1 4091 1 1 1 1030 1632 1388 2064 1 11587 6178 1 4830 4376 6182 7788 9519 9784 1 1 1 1 8430 8856 1 1 1 6873 1 8659 1 1 3572 3128 13130 1 255.0804 *255.0832* 255.0832@2.5188372 1 1 1 1 1 6629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.0832 *255.086* 255.086@2.560265 1 1 1 1 11063 9070 1 1601 14934 15510 1 7709 1 1 1 1 8256 1 1 1 5019 1 1816 1043 1 1 11688 9195 1 1 1 1 7102 1 1 1 1 1 11278 13171 2748 1 1 1 8831 14396 1 1 1 1505 8955 10729 11276 10608 1 3823 14921 15400 1 1 1 1 11084 1 14306 18060 1 1 1 1 1 1 1 8540 12186 16918 1 1 71589 72873 24553 13852 12038 8754 2310 2351 1 1 1 1 255.086 *255.0933* 255.0933@1.106607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 3262 3810 1 1000 1 1 1 1 1 1 255.0933 *255.109* 255.109@0.9223477 1 1 1 1 1 1 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 2347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1445 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 1093 1266 1 1 1 1 1 1 1 1 1 1 255.109 *255.1404* 255.1404@1.0382816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 255.1404 *255.1824* 255.1824@1.2032909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 255.1824 *255.8205* 255.8205@0.7477698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2069 2122 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 1 255.8205 *255.9763* C14 H5 Cl O S 1 1617 1 1 1 1800 1411 1 1 1 1291 1 1616 1432 1 1608 1 1 1 1 1 1 1074 1002 1185 1054 1 1 1 1 1134 1067 1707 1846 1 1974 1 1489 1 1 1 1 1 1117 1 1003 1 1 1057 1233 2167 2136 1830 1698 1646 1 1739 1 1189 1154 1 1139 1 1 1574 1 4933 5434 1 1 1 1 1282 1659 1 1 1 1 1 1 1422 1 1166 1 1 1167 1 1 1 1 255.9763 *255.9911* C8 H8 N4 S3 2056 1 11314 11896 1936 1821 5504 5153 2069 2230 11084 10710 1 3163 1804 1925 6002 6014 9044 8222 2340 1 1 1 3853 3828 29352 27097 2390 2598 5176 4966 5563 5265 1 2167 3330 3114 4987 4532 4281 4259 3229 3693 3188 2737 4998 4831 1 1 3022 2969 4242 4331 2874 3150 4225 4315 1276 1 7335 7448 3800 3613 7956 8316 5259 5286 7539 7556 2831 2866 4370 3614 5861 6058 2926 1 2172 2480 3230 3410 2723 3173 13956 14725 6758 7517 2340 2336 255.9911 *255.997* 255.997@0.73655224 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.997 *256.0248* 256.0248@0.71346855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4236 3525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.0248 *256.0347* 256.0347@0.7148378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2059 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 1 256.0347 *256.0417* C12 H8 N4 O S 8711 8195 9125 9646 7014 7206 11129 9711 8283 8316 10292 9782 7368 6964 7371 7158 11348 12550 8572 9203 9089 9018 9373 10243 9474 8904 7509 8422 8258 8604 9786 9509 9477 9328 11690 12226 11951 12697 11936 10809 14682 15210 10799 9857 5348 5069 11382 11726 9249 9884 15844 15758 14770 14488 12313 12168 9970 10008 15746 16518 19357 20081 15660 14690 12807 12917 10314 11762 12244 13094 22038 21643 9794 10599 13878 14912 16017 16282 17993 18063 20007 19763 13836 13684 19421 19671 13576 13316 18234 18121 256.0417 *256.0418* 256.0418@2.472154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.0418 *256.042* C12 H8 N4 O S - 2.5101433 27306 26853 30459 31854 16671 16999 35517 35629 21289 21633 24383 24761 28405 33757 31300 31267 26078 30619 48323 57495 30243 31415 47499 46930 19158 16644 24153 24620 38554 39236 28327 27879 25620 28478 31620 30479 43009 43138 36654 33943 46059 46439 25849 25859 27190 29283 26846 31486 39606 40709 48460 46762 45984 47358 37190 40354 24567 24778 53998 53891 50607 49690 39461 48108 27082 26416 33446 33536 38709 36619 27173 12026 23894 23265 21139 20017 39214 33450 26564 27932 41285 38881 38846 34501 40166 39278 45864 44033 59411 60314 256.042 *256.0456* 256.0456@3.030624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16616 11743 1 1 1 1 1 1 1 1 1 1 256.0456 *256.0456* 256.0456@3.113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11313 1 1 1 1 1 1 1 1 1 1 256.0456 *256.0739* 256.0739@1.1400238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3954 3871 1 1 1 1 1 1 1 1 1 1 1 1 6579 6214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4276 4356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7360 7403 1 1 256.0739 *256.0739* 256.0739@1.3236396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4688 3670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.0739 *256.0866* 256.0866@1.1044272 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.0866 *256.0911* 256.0911@1.1237917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6553 6641 1 1 1 1 1 1 1 1 1556 1845 1 1 1 1 1 1 1 1 6114 5951 6658 6830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3796 3574 1 1 1 1 1 1 1 3457 1 3111 18486 18853 5145 5290 1 1 1688 1642 2359 1879 256.0911 *256.0936* 256.0936@1.5631645 1 1 1 1 1 1 1 1 1 1 3343 3393 1 1 1 1 1 1 26663 25222 1 1 1 1 1 1 3338 3205 1 1 1 1 2109 2046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1737 1 1268 1 28182 11140 1 1 1 1 8532 22600 5035 5521 1 1 1 1 1 1 1 1 1 1 1 1 5334 5373 2917 3209 1 1 1 1 1 1 1 1 1 1 1 1 256.0936 *256.1128* 256.1128@1.626061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4199 4362 1 1 1 1 1 1 1 1 1 1 256.1128 *256.1273* 256.1273@1.1899301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 256.1273 *256.1502* 256.1502@1.1812139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 256.1502 *256.1609* 256.1609@1.1420802 1 1 1 1 1 1 1086 1 1 1 1 1 1 1521 1 1 1 1 1 1 1 1376 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 1 256.1609 *256.2386* 2-propyl-tridecanoic acid 9685 10696 7600 7170 10504 10189 13179 13080 11286 10583 16986 17522 13465 11674 5172 14990 22825 22673 9712 11443 14805 15143 9870 10027 11938 11472 13880 14967 17010 16652 12647 12699 13615 13591 12071 13480 14632 12946 14933 13472 13974 13487 10006 11123 12254 15395 10270 9937 11971 14293 16654 17611 12797 13508 17400 18016 17042 16168 14030 13474 17129 18401 17604 16049 17028 20693 19162 18990 16034 17365 23241 22672 11310 12305 10091 11090 16278 17101 17851 17993 19081 17188 20716 22182 14980 17031 16162 16742 10693 9996 256.2386 *256.2391* 256.2391@1.6305574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 75995 72322 1 1 1 1 1 1 1 1 1 1 256.2391 *256.2393* 2-propyl-tridecanoic acid - 1.9754443 32260 31346 79589 82790 63173 68358 70540 68855 39474 33934 100621 93158 23485 25068 26315 25068 32826 30723 40858 37600 51806 50703 27351 29309 66100 64254 132121 138670 45019 54278 57150 56807 30406 29106 57576 57772 34959 37275 50421 50750 32779 32676 36073 33656 44581 39569 87885 88781 68496 72889 42826 38430 25701 24929 76132 77471 57477 64377 49223 44685 74116 69897 90092 86237 63857 60910 197878 189811 91186 88649 41742 41885 83534 84418 41620 64979 42483 44409 39781 37175 46367 54679 56268 58127 74397 61038 82173 81416 22215 19590 256.2393 *256.2394* 256.2394@1.1460687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.2394 *256.8277* 256.8277@0.6171189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7201 1 1 1 1 1 1 256.8277 *256.8279* 256.8279@3.390461 4140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3168 1 1 256.8279 *256.828* 256.828@0.7655288 1 1 1 1 1 1 1 1158 1 1 1 1 1 1 1 1 1 1676 1 1 1 1 1 1 4533 1 1 1 1 2489 3636 1 2210 1 1 1 2617 1 3471 1 1 1218 1228 1 1 1 1 1 1 1 9548 1 1 1 1 1 1 1 1 10012 1 1 1 1 1 2950 1 1 3010 2850 1 1 1 1 1 1 1 1 1 1 1 1 1 4475 1 1 4563 2903 4250 4891 256.828 *256.8281* 256.8281@1.5300103 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 1707 1 2100 2315 1931 1 1 1 1 1 1 1 1 1 4264 2624 1 1 1 1 1 3402 5186 1 1924 1 1 1 2747 1 1 1 5374 2828 5985 1 1 1 9747 1 1 1 1913 2876 7115 1 1 5650 6220 5603 1 3269 1 2883 6785 6787 5392 4147 10169 8641 1 11223 5673 5925 256.8281 *256.8282* 256.8282@0.8975146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3990 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4222 1 1 1 1 1 2570 256.8282 *256.8283* 256.8283@3.7281613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 256.8283 *256.8285* 256.8285@1.0970787 46196 22309 1 1 28534 1 18999 17373 1 1 23006 16504 1 1 11328 14226 9635 8957 1 4528 1 1 5031 1 2783 90404 2556 2320 2609 1999 1379 81627 1691 37612 85046 89032 88785 89481 90017 15368 69907 1 77426 78960 71103 1 76566 77760 79115 74472 1305 74173 70838 72410 69082 1 83710 1 68908 1456 65329 70886 1 46154 1 81484 103083 103944 84850 2034 2065 85446 71847 87074 68826 1 128546 103805 58261 71123 2584 2418 1 2272 89434 88570 82835 2466 2555 24853 256.8285 *256.8285* 256.8285@1.2051373 11207 12663 27183 22119 63571 78529 10845 27091 26674 28065 7544 10036 56549 57575 28641 27243 45838 45533 24951 21089 23806 24316 15358 21781 87911 15929 85659 89269 84088 69123 32303 38029 33356 54966 36703 36829 15057 37229 16126 71188 39765 41311 31898 37557 33222 13976 38573 28794 37023 32055 68554 36397 40787 41732 35618 35445 15214 15977 37392 85532 151610 9690 75204 51271 17883 44584 15758 15987 46253 34025 71513 43610 40237 44331 65580 50267 19790 20079 50422 56378 30975 32116 42539 69179 48947 50470 44218 80811 79458 9238 256.8285 *256.8285* 256.8285@3.6481736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 256.8285 *256.8286* 256.8286@1.3177599 1 1 1 1 1 1 1 1 1 1 19978 1 1 1 1 1 1 1 1 1 1 1 1 1 42544 1 39250 40025 38832 42004 35191 1 1 41279 1 1 1 1 1 33727 3173 2777 1 1 1 1 2369 1 1 1 37573 1818 7405 1 1 1 1 1 2661 35052 1 135397 1 1 4746 4003 1 1 3034 17878 44319 6297 1 4822 5247 4490 5748 6411 3104 6379 109868 103894 1 43195 3866 3502 4226 45874 102103 105869 256.8286 *256.8286* 256.8286@1.6449344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2644 1 1 1 1 1 1 1 1 1 1 1 1 3074 2546 1 1 1 1 1 2966 1 1 1 1 6767 1 1 1 1 4294 1 1 1 3415 4345 1 1 3472 1 1 1 1 6913 1 1 1 1 1 9279 9533 1 2551 1 7106 1 1 6480 1 1 6396 1 6315 6728 11195 9376 10973 7616 1 1 1 3299 13858 11427 256.8286 *256.8287* 256.8287@2.9497159 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 1645 1 3028 3276 1 1 1 1 3295 1 4120 4096 1 2281 5351 3354 3630 3968 6084 6043 3686 1 6662 4560 4254 1 6235 5889 1 1 3776 3638 7181 8253 1908 5255 2302 2690 1 7389 1 4366 3095 5364 4262 3459 5603 3757 256.8287 *256.8288* 256.8288@3.4957123 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 1 1918 1 1 1 1 1 1 1 1 1 1 1 2966 1 1 256.8288 *256.8289* 256.8289@1.406182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 256.8289 *256.8295* 256.8295@2.1744943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3150 1 1 1 1 2193 2296 1 1 1 1 1 1 2804 1 1 1 1 1 1 1 1 1 1 1 1 1 2844 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 1 256.8295 *257.0566* 257.0566@2.508212 1 1 1 1 1 1 1 1 1 1 1209 1 3761 1 1 1 1608 1 7177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3192 1 1 1 1 1 1 257.0566 *257.0657* C12 H16 Cl N O S 8228 12365 5802 7537 10500 5894 14275 10341 10681 8684 9804 10309 8734 7546 9895 10881 15353 13153 12732 12054 4915 7376 12007 9840 9525 9525 9035 9327 9766 9876 9893 10125 3467 9676 10394 13025 23112 13300 11637 18335 16780 20682 10482 11304 12510 12334 12955 17060 10347 13136 30900 23512 26040 26804 21791 1 12424 11243 27985 17564 30367 31929 23713 24779 25014 21259 11452 14945 15076 19182 51806 54185 15967 16224 1 9530 13125 32999 40311 15621 39568 32544 23879 29005 43283 26811 24866 23175 26187 23720 257.0657 *257.0658* 257.0658@3.3746483 1 1 1 1 1 2435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1737 1 1 1 1 1 5079 1 1 1 1 1 1 1 2731 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 1 257.0658 *257.0661* Nicorandil 1 1 1 2774 1 2295 2085 2063 1 5599 1 1 1 1 1 1 1 1396 2421 1 3780 1981 2403 3027 1763 1 1 1 1744 1 1988 5663 6442 1 1 1629 1 1 2160 2214 1 1 1834 1 1 1 1 2860 1731 2000 1 1 2378 1 1 1 2270 1 3342 1 3418 3799 1 1649 3579 3178 1 2022 5817 2600 1 5251 1207 2082 1 5007 11410 1 4788 5150 1 1 1 1 4974 6495 1 3278 1 1 257.0661 *257.0663* 257.0663@3.0827277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 257.0663 *257.0709* 257.0709@2.5383248 1 1 1 1 1 1 1 1 1 1 1 4609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3918 1 1 1 1 1 1 1 1 1 1 3964 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 1 1 1 1 1 1 1 1 1 1 257.0709 *257.0732* 257.0732@0.8355422 1 1 1 1 1 1 1 1 1 1 1 1 1610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.0732 *257.0752* C8 H11 N5 O5 1 1 1 1 5299 5617 1 1 5342 5673 1 1 1 1 1 1 4240 4149 1 2495 1652 1737 1 1 2695 3071 5685 6261 1 1 1 1 1 2892 1 1 1 1 6291 6614 1 1 1 1 5664 1 1 1 1 1 1 2864 4745 3581 1 1 1 5013 1 1 1 1 1 2177 6406 1 1 1 1 2225 3453 3801 1655 2713 4180 1 1595 1 1 1 1 6880 4971 4560 1 1 1 1 3889 3519 257.0752 *257.0808* 257.0808@2.5588877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1822 1 1 1 1 1 1 1 1 1049 1 1 1 1 1 1 1 1 1 1 1 1 257.0808 *257.1991* 257.1991@1.2024881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 257.1991 *257.8299* 257.8299@1.157088 1 1 1 1 1 1 1 1 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 1920 1 3151 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 1 1 1 1 1 1 1 257.8299 *258.0179* 258.0179@1.1640986 1 1 1 1 1 1 1 1044 1 1 1 1 1 1 1 1 1909 2005 1 1127 1029 1 1016 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 1 1 1 1 1 1 1 1 1 1 1 258.0179 *258.0345* 258.0345@1.893369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20137 22476 1 1 1 1 1 1 1 1 1 1 258.0345 *258.0426* 258.0426@2.510114 1 1 1 1 1 1 1 1 1236 1 1 1 1950 1 1 1 1 1 2991 1 1 1 1 1 1 1 1581 1 1 1 1 1 1 1 1 1 1 1 1 1882 1 1 1 1296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2504 1 1 1 1 1 1 1 1 1 1 1 1 1538 1 2166 1 1 1 1 1 2128 1 1 1 1 1 1 258.0426 *258.0451* 258.0451@3.044631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4638 8780 1 1 1 1 1 1 1 1 1 1 258.0451 *258.0537* 258.0537@2.5218618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 258.0537 *258.0554* C14 H11 Cl N2 O 5967 5691 5171 5734 7620 7129 5581 7237 6204 5954 5958 6343 10301 9418 6195 5683 4727 4350 8023 8722 4739 4882 5352 5655 2423 2516 1559 2288 1 2676 1911 2111 2014 2361 2683 2540 2711 2606 1 1 1 1 1 1589 1019 1 1 1092 1855 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 1 1 1 1 1 1 1 1 1 1 1 1 1 258.0554 *258.0602* 258.0602@1.0719031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 258.0602 *258.0609* C10 H20 Cl2 O S - 3.6465604 3258 3564 2230 2084 2004 1941 21600 19648 1 1 3827 4275 11901 12490 7015 7595 9867 9447 15227 15264 20819 20496 10668 11054 5217 3796 11986 11197 4957 6905 4411 4852 3480 3640 1509 1426 2583 2635 3617 3733 12605 13652 1 1 4450 6523 2322 2397 27371 27289 2578 2384 1 1 1 1 6123 6310 1 1 1 1 8086 5224 1 1 4312 4285 1 1 1889 2332 1446 1428 1 1 2259 2124 4423 5434 3534 3159 5862 5516 2197 3363 2114 2301 1 1 258.0609 *258.0611* C10 H20 Cl2 O S 1 1511 1 1 1 1 7472 10508 1 1 1642 2298 4282 6483 2869 2582 5056 2919 8319 5614 10498 11882 7021 5948 2278 1575 4099 6591 1839 1831 2702 2234 2055 1956 1 1 1493 1 1815 1 5180 5193 1 1 2186 1 1 1 15765 14896 1756 1 1 1 1 1 2552 2692 1 1 1 1 4705 3217 1 1 2349 2241 1 1 2355 2491 1 1 1 1 1 1 3371 4647 2509 4050 3708 3245 2100 1961 2096 1 1 1 258.0611 *258.0688* 258.0688@3.3146415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 258.0688 *258.0815* 258.0815@6.903178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 258.0815 *258.0819* C14 H14 N2 O S 1 1 1 1 1719 1 1 1939 1 1 2274 2625 1 1 1503 1 1 1514 2076 1 2031 2215 1 2100 2453 2059 1922 1 1 1 1 1759 2339 2603 1 1 1 1 2264 2001 2325 2317 1 1 1719 1326 1 1 1 1791 4212 4677 4716 4373 1910 2472 2167 2324 1611 1 5135 5613 2415 2311 3523 3210 2598 2604 2754 2621 5270 5130 1 1 2661 2857 6707 5942 6393 5885 5424 5709 4289 4913 4867 5270 7929 9666 4698 5055 258.0819 *258.0845* Ribothymidine 12632 12225 12948 12648 11338 11558 14670 3425 18480 17796 17690 18989 12166 12533 11729 11822 18656 18888 1 1 13770 15891 14477 13370 13725 13969 16454 15185 16169 18378 14120 15375 12169 11463 14174 13817 12799 11103 12574 14165 17927 18204 15624 14434 11390 12100 13286 12956 13382 14798 13763 15672 1 19353 12765 13321 13485 13502 14264 1 12692 12129 22344 20825 14799 17746 18995 18598 13223 12989 17473 15505 16126 20100 16508 17213 7841 5529 18598 18290 8575 14803 14995 17858 15367 14859 13577 14623 19932 16654 HMDB00884 258.0845 *258.0849* 258.0849@1.9661372 1 1 1 1 1 1 2856 2729 1 1 1555 1485 1736 1 1465 1 2582 2818 1 1933 7680 5131 4554 4841 1 1 1 1 1 1 6281 6570 2457 2605 1 1789 1 3813 1 1 1980 1958 1 1 1954 2402 2960 2696 8101 8596 4523 4488 3609 3712 1 2124 1 1 1 1 1 4069 1 1 2576 4300 19794 19124 1 1 1 1 4026 3237 3054 2813 1 1 6575 1 1 1 1 1 2786 3284 1541 1 2610 2932 258.0849 *258.0849* 258.0849@1.5560322 1 1 1 1 1 1 1 10143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3781 1 1 4012 1 1 1 1 1 1460 1 1 1 258.0849 *258.0896* 258.0896@0.81057304 1 1 1 1 1 1 1 1 1 1 1 1 2916 1 2977 3148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1371 1626 1150 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 1 1 1 1 258.0896 *258.0898* 258.0898@1.9723209 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.0898 *258.0962* 258.0962@1.9723804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 2360 1 1 1 1 1 1 1 1 1 258.0962 *258.1039* 258.1039@1.0800692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 258.1039 *258.1337* 258.1337@1.633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8052 1 1 1 1 1 1 1 1 1 1 258.1337 *258.1384* 258.1384@1.9731861 1 1 1 1 1 1 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 1316 1 1 1129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 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 1 258.1384 *258.1478* 258.1478@1.1850125 1 1 1 1 1686 1 1 1 1 1 1 1 1 1 1 1 1 1 2039 1658 1 1 1 1 1 1321 1 1 1 1 1 2298 2474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1663 1 1715 1985 2603 2049 1 1 1789 1925 1 1 1 2695 1 1 1 1 1 1 1 1271 1 1 1 1 1 1042 1 1282 1 1 1 1691 1 1 1 1 1 1 1 1550 258.1478 *258.1507* 258.1507@1.1789379 1 1 1 1 1 1 1259 1 1 1 1 1 1506 1 1 1271 1528 1493 1 1 1 1 1832 1 1 1 1 1 1 1 2214 1 1 2221 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 3050 2983 2040 1 1 1 1 1 1 1 1299 1 258.1507 *258.1821* 258.1821@1.1153438 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 1067 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 1145 1 1 1 258.1821 *258.1881* 258.1881@1.1095586 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 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 2022 1789 1 1 1 1 1 1 1 1 1 1 258.1881 *258.8246* 258.8246@0.85001004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 258.8246 *258.8251* 258.8251@1.5102688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.8251 *258.8252* 258.8252@3.6751695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.8252 *258.8253* 258.8253@1.6423222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3573 1 3915 1 1556 1 1778 1 1 1 1723 1 2645 1 1 1 1 3479 1 1 1 1 3551 1 4154 1 2754 5366 2534 1 1 1 1 1 8212 1 7817 8063 1 4361 9912 11550 1 8782 1 1 3821 1 6904 4067 7649 6806 1 1 6179 6722 9322 9397 10672 1 1 10637 7557 11399 15231 11208 258.8253 *258.8253* 258.8253@1.225405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.8253 *258.8254* 258.8254@3.326421 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4776 1 1 1198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.8254 *258.8254* 258.8254@1.1584989 1 46166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25818 1 1 1 1 48121 1 1 1 1 1 44970 1 1 1 1 39067 43976 44109 1 1 1 1 1 1 30789 258.8254 *258.8254* 258.8254@3.4741988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 258.8254 *258.8255* 258.8255@1.3605744 11477 1 1 1 1 1 16194 1 2206 1 1 14070 3710 1 1 1 1 1 1 1 1 1 14930 1 1 22125 1 1 1927 1975 1 1 1 1 1 1545 21249 1 22037 1 4809 3076 1 1 1 20589 1 1753 1 1 1 1 5779 4438 1 1 23319 17115 2228 1 1 1 1 1 3594 3738 16971 15337 1 2938 4443 3971 5490 5074 1 1 5567 6592 6315 7080 3701 6776 4057 1 4553 6207 1 4100 4684 5547 258.8255 *258.8255* 258.8255@3.514379 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 1399 1 1 1 1 1 3347 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 1885 1 1 5544 1 1 1 1 1 1 1 1 1 1 1 3560 1 1 258.8255 *258.8255* 258.8255@2.2462204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.8255 *258.8256* 258.8256@0.97609836 1 1 15181 21026 1 1 18465 12299 1 1 1 1 1 7828 1 10774 9834 9123 1 13628 5380 1 1 1 3860 1 2648 2078 2095 1855 1 3314 3990 1599 1626 1535 1691 1 1315 2922 1 1 1 1 1 39882 2711 1 1106 1 1314 1422 1 1 1 1 1 32761 1 1304 1 1 1722 1 46683 1 1 1 1676 1804 1993 1 3388 1 2104 1931 2127 2427 1 1 2162 2192 1957 5054 1 2117 3314 2635 2355 2599 258.8256 *258.8257* 258.8257@2.9165413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2953 3988 1 1 1 1 2915 1 3484 1 2777 1 4716 3147 2549 1 1 1 1 1 1 1 4333 3375 1 1 2456 6050 1 1 3395 3045 5748 6552 4131 6316 2327 1 2953 4493 6723 6929 5303 4757 1 1 4914 1 1 2728 1 2303 1 1 5617 6115 1 1 1 7296 1 3766 4438 3379 258.8257 *258.8257* 258.8257@0.7515222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4523 1 1 5262 1 1 1 1 1943 1 3599 2412 2341 3221 2672 1 1 1 1 2317 1 1 1 1 1356 1 1 1 1 1 1 1 1 1 1 9151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3808 1 1 1 1 1821 1785 9565 3257 3713 1 1 4510 4391 258.8257 *258.8262* 258.8262@2.1581306 1 1 1 1 1 1 1 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 2567 1 1 1 2485 1 1 1 1 1 1 1 1 1 1 1 2966 1 1 1 1 1 1 1 2091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.8262 *258.9308* 258.9308@3.1770027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 258.9308 *258.9316* 258.9316@3.0229607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2597 1 5087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4679 1 1460 1 4135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.9316 *258.9889* 258.9889@3.189872 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 9831 11122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2691 1275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1207 1 1 1 258.9889 *258.9896* C10 H10 Cl N O S2 9122 8734 9106 9527 10618 9040 8493 8213 8431 7526 9388 10173 7645 8344 8743 9377 7947 6626 8167 7845 8593 6842 8846 7125 12688 11693 9740 9089 1 1 9313 10489 8181 7191 8965 10837 8705 8210 8634 8796 9584 8331 11596 11197 7444 8736 10492 10164 8016 9291 9990 9606 8042 9438 12658 13119 8732 9693 8421 9590 11182 10353 11174 12277 8455 9193 9240 9769 7711 6566 7162 7116 13388 11927 12717 14223 7456 8087 1 1 7833 7083 6570 7159 9217 8453 7246 5317 7930 8320 258.9896 *259.0149* 259.0149@0.86225647 1 1 1 1 1 1 1 1 1 1 3632 3295 1 1 1 1 1 1 1 1 1 1 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 1101 1 1 1 1 1 1 1415 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 2371 2363 1 1 259.0149 *259.0495* 259.0495@2.8115556 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.0495 *259.051* 259.051@1.9551144 1 1 1 1 1 1 1 1 1 1 11686 9938 1 3842 1 1 5308 10114 3787 5756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4230 1451 3464 4496 1 1 1 1 1 1 1 1 7359 7100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14067 18011 1 1 1 1 1 1 1 1 1 1 1 1 1 3659 1 1 10252 11198 259.051 *259.051* 259.051@1.8832995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4136 1 2393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5329 3683 259.051 *259.0527* 259.0527@2.328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 259.0527 *259.0561* 259.0561@1.9659247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.0561 *259.0576* 259.0576@1.0741237 1 1 1 1 1 1 1523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.0576 *259.0579* 259.0579@3.2086442 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 2416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.0579 *259.0618* 259.0618@1.9570389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3328 1 2258 3748 1 1 259.0618 *259.0627* 259.0627@3.243186 2098 1559 1 2344 1 1 1 2059 4083 1 2235 2869 1 1055 2480 2783 1 2038 4291 1 1 3740 2920 1 1 1 1 1 1 2115 1994 3874 1 2454 1 5010 1 1 1 1 1 1 3552 2889 1 4946 5269 1 4358 1 1 1307 1 1 1 6270 3631 1 1 2631 1 1 1 1 1 1 1 1 3031 1790 1 1 1 1 3556 6115 6291 1 1 1 1 1 1 1 1 12207 1 1997 1 1835 259.0627 *259.066* 259.066@5.746045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2154 1 1 1 1 1890 1887 2344 2440 1723 1813 1316 1401 1770 1934 1375 1394 1580 1517 259.066 *259.0667* 259.0667@1.952517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 259.0667 *259.0719* 259.0719@1.9611897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 259.0719 *259.0786* 259.0786@3.6411872 1 1 1 1 1 1 1 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 1382 1 1 1 1 1 1 1 1 1 1 1 259.0786 *259.0806* 259.0806@1.9645199 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 1381 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 1 259.0806 *259.0883* 259.0883@1.9701693 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 1 1 1 1 1 259.0883 *259.8271* 259.8271@1.17857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 259.8271 *259.9262* 259.9262@0.6338279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 259.9262 *259.9265* 259.9265@1.7179893 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 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 1 259.9265 *259.9269* 259.9269@3.0830922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3157 1 1 1 1 1 2389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.9269 *259.9269* 259.9269@1.2991807 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.9269 *259.9271* 259.9271@3.8987236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 2197 1 1 259.9271 *259.9273* 259.9273@2.3899179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2850 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 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 1 259.9273 *259.9275* C9 H2 Cl2 O5 3320 1 1 1 1 13111 3877 5338 1 1 1341 1 1 3758 3541 1 10051 4954 12626 6026 7754 10769 6420 1 7424 5661 9749 1 1 10103 1 1 2902 1 1 1 3539 1 4352 1 1994 1 6602 1949 1 1 1 6674 8456 19790 13621 13750 10562 5058 20515 1 6086 5719 13833 4955 12973 15169 1 2821 6806 1 17857 22475 1 10718 3587 10323 13743 1 14116 12001 2683 6286 1 1 1 4379 1 5418 1 1 1649 1 1163 1100 259.9275 *259.9277* 259.9277@1.2382498 1 1 1 1 1 1822 1 1 1 1 1644 1 2106 2395 1 2489 2937 4245 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 2593 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 1082 259.9277 *259.9277* 259.9277@2.1131127 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 1 1 1 1 1 1160 1 1 1 1 2745 1 1 1 1 1 1 1 1 1 1 1 3210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3258 1 1443 1 1 1 1 1 1 6336 3091 3349 6080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.9277 *259.9278* 259.9278@2.9255054 1 1 1 1 1 1 1 5515 1 1 1 1 1 1 1 1 5913 4878 1 1 11127 6212 1 1 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 2047 1 3538 1 1 1 1 1 1 1 1 1 1 3369 1 1 1 1 4374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.9278 *259.928* 259.928@2.422234 2264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6998 2685 6760 1 1764 2044 1 1 1240 1 1 1 1 1 1 1 1 3353 1 1 1 1 1 2388 1 2403 1 1 1 1 3030 1 1 1 1 1 1 1 1 1 1 2185 1 4011 1 1 1 2216 1 1481 1 1 5260 1 2872 3989 3330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.928 *259.9282* 259.9282@2.2037294 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1312 1 1656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.9282 *259.9284* 259.9284@3.2031555 1 1 1 1 1 1 1 1 1 1 1 1 1 2596 1 1 1 1 1 1 4381 4263 1 1 1 1 1 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 2988 1 1 1 4211 1 1 1 1 1 2667 3748 1 1 3202 1 6388 3196 2492 1 1 1 1 1 1 2220 1 3220 1 1 259.9284 *259.9872* 259.9872@1.1044382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1278 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 1 1 1 1 1 1 1 259.9872 *259.9879* 259.9879@3.1493204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 259.9879 *260.0103* 260.0103@3.0206213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2415 1 1 1 1 1 3215 3378 1 1 1 1936 1 1 3218 2008 1 1 1 1 260.0103 *260.0151* 260.0151@1.8034613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 260.0151 *260.017* 260.017@3.0181878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 260.017 *260.0182* 260.0182@2.1267257 1 1 1 1 2913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3426 2125 1 1 1 1 1 1 1007 1 1 1 1 1 1 1 2185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10287 1 1 1 1 2055 1 1 1 1 1 4060 1 1 1 1 2928 1095 1 1 260.0182 *260.0202* 260.0202@1.1433862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2885 3234 1 1 1 1 1 1 1 1 1 1 260.0202 *260.0202* 260.0202@2.125506 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7555 1 1 1 1 1 1 1 1 3684 1 1 1 1 1 1 7223 9270 1 1 5925 2424 1681 5258 1 8293 1 3850 7426 1 260.0202 *260.0231* 260.0231@2.0016606 1 1 1 1 1 2802 1 1 1 1 3761 1 1 1 1 1 1 1 1 1 1 1 2097 1 1 1 1 1 1 1 1 1 1 1 1 1 4186 3499 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 2120 1 1 1 1 4029 4177 1 1 3863 2363 1 1 1 2570 1 1984 1113 1 1 1199 1 1 1 3012 260.0231 *260.0267* 260.0267@2.265313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6128 1 1 1 1 1 1 1 1 3486 1 1 1069 6590 3378 1 2215 1 1 260.0267 *260.031* 260.031@1.1825917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2228 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 1 1 1 1 1 1 1 1 1 1 1 1 260.031 *260.0338* 260.0338@2.2420857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9745 1 1 1 1 1 1 1 1 1 1 1 260.0338 *260.0426* 260.0426@2.345762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1415 1586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0426 *260.0453* 260.0453@2.391001 1 1 1 1 1 1713 1 1 1 1717 1 1 1 1 1 1 1 1 1 1 1 2169 2871 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 2101 1 1 1 1117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1529 2789 1 1 1 1 1 3698 6144 8419 1 1 1 5266 2500 1 1372 5763 1 1 260.0453 *260.0465* C11 H14 Cl2 N2 O 2536 2381 2405 2298 3411 3696 4446 6257 2743 2273 2560 2896 4197 4316 2891 2969 1854 2436 4406 4064 4636 4409 3470 3033 4739 4972 4691 3671 10781 9812 2790 2509 1817 1814 3118 2955 2945 2883 1617 1772 3014 3596 3067 3119 3505 3573 4620 3747 4439 3729 1 1 1 1 1 1 1640 1801 2263 2987 1 1 2342 2181 1 1 1 1 1869 2355 1 1 3480 3347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2141 260.0465 *260.0565* 260.0565@3.6680512 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0565 *260.058* 260.058@3.5661805 1 1 1 1 1 1 2511 1 1 1 1 1274 1234 1 1 1 1 1 1 1672 1 1 1 1 1 1 1 1 1440 1 1 1 1 1 1 1 1 1 1 1 1591 1501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1909 1 1 1090 1227 1 1 1 1 1 1 1 1 1 1 1641 1 1 1 1 1 1 1 1 1 1 1 260.058 *260.0591* 260.0591@3.0760078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 260.0591 *260.0629* 260.0629@1.9719929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6122 5632 1784 1 1 1 1 1 1 1 1 1 260.0629 *260.0661* 260.0661@2.4027586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3831 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0661 *260.0723* 260.0723@2.3781226 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0723 *260.0763* C7 H16 O10 1 1 1 1 1 1 1 1 1 1 1 1 1263 1 1 1 1 1 1025 1 1 1 1 1 1 1 2168 1460 1855 2260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4805 2209 1 1 1508 2738 1 1 1116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2769 1 1 1 1986 1844 2533 1577 1111 3843 4316 2439 1110 260.0763 *260.0803* 260.0803@1.9685808 1 1 1 1 1 1 1411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1253 1761 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 2422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0803 *260.0861* 260.0861@3.0347407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2641 2533 1 1 1741 2392 2881 1 1 1 1 2672 1 1 1 1 1 1 4985 5343 6491 1 1 1 3204 2060 1 5010 1 1834 260.0861 *260.0866* 260.0866@2.3737652 1 3776 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 1 1 1 1 1 1 1 1 1 1 1 6486 6191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0866 *260.0869* 260.0869@2.4092395 2670 1 1 1 6950 6426 1 1 1 1 1 1 1 1 1 1 5212 3548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3115 7954 8677 5807 5620 1 1 1 1 3936 1 1 1 1 1 1 1 1 1 1 1 4755 3560 1 1 11368 10408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0869 *260.09* 260.09@3.0554087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2086 2270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2352 2950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7495 7191 1 1 4874 4675 1 1 1 1 1445 1 1 1 1 1 1 1 1 1 1 1974 1 1 1 1 1 5937 1 1 1 1 4451 1 1 1 260.09 *260.1017* 260.1017@0.7965548 1 1 2258 2090 1823 1916 2841 3179 1 1 1952 1 2887 2994 1746 1721 1807 2451 3845 3497 3411 3159 1 1 1 2252 4314 3602 1 2629 1 1 1561 1 1 1 1 1 2234 2506 1 1 1 1 1 1 1 1567 1 1 1 1 1 1 1 1 1512 1607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1017 *260.1026* 260.1026@3.0572631 1 1 1 1 2443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1026 *260.1052* 260.1052@0.8059882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3889 3902 2191 1 1 1 2457 1 1 1736 1 1730 1 1 2177 1688 1 1 1 1 1 1 1 1 1 1 1802 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 1 260.1052 *260.8218* 260.8218@1.6365619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3139 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 1 260.8218 *260.8222* 260.8222@0.6462803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3075 1 1 1509 1 2270 1 260.8222 *260.8224* 260.8224@1.166451 2105 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.8224 *260.8229* 260.8229@1.1218997 4740 1 6365 1 1 1 6853 2242 1 5179 5327 5097 1 1 4117 4038 3614 3243 3183 1 1 4057 2379 3503 1 1 1 1 1 11560 10980 1 12229 1 6673 1 1 1 1 1 3523 1 5658 1 1 1 1 1 1 1 3779 1 1 1 4622 6287 1 18554 1 1 1 1 1 6341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2856 1 4581 1 1 1 1 1 1 11336 260.8229 *260.8233* 260.8233@2.884235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2476 2886 1 1 2076 1747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.8233 *260.8234* 260.8234@1.2782341 5158 1 1 3788 1 1 1 8003 1 1 3402 1 1 1 1 1 1 1 1 3556 1 1 1 1 1 1 1 1 1 1 1 1 5894 1 1 1 1 1 1 6343 2403 1 5085 1 1 1 1 7086 1 6705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1215 1716 1 1 1 1 1 1 6719 1 1 1 1 1 18113 1948 1 1 1 1 1 1 1 1 1 1 260.8234 *260.9672* 260.9672@1.9646082 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 1651 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.9672 *260.9699* 260.9699@1.9692583 1 1 2150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1872 1 1 1 1 1 1754 2118 1 2053 1 1870 1 1 1 1 1 1 1 1711 1 1972 1 1 1 1 1 1 1 1 1 1 1 2046 2282 1 1 2130 1 1 1 1 1 2399 1 2622 1 1930 1 1924 1 1 1 1 1 1 1 1 1 1 1445 1 1 1 1 1 1 1 1 1 1 1 2501 260.9699 *261.0302* 261.0302@0.8728135 1 1 1 1 1735 1858 7450 7565 1 1 1 1 4775 5044 1 1 8631 8421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13472 12796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 261.0302 *261.0347* 261.0347@0.8710018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6950 6563 1 1 1 1 1 1 1 1 1 1 14003 15593 261.0347 *261.0453* 261.0453@0.81357783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 261.0453 *261.0518* C9 H12 Cl N3 O4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3876 1 1 1 1 1 1 1 1 9972 9823 5557 5796 6595 6355 1 1 3754 3874 1 1 1 2690 3998 4072 6729 7501 1 1 5099 4888 2482 2407 4585 4320 1 3227 11230 11914 12420 12385 10940 11724 9300 8919 4337 4066 7184 5982 261.0518 *261.0644* 261.0644@5.8390455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1470 1 1 1 1 1 1 2374 2671 1 1 261.0644 *261.067* C10 H15 N O5 S 1 1 1 1 1 1 1 1 1 1 1 1 1283 1478 1 1 1 1 2366 2591 1450 1 2151 2126 1 1 3023 3550 3422 4901 1 1 1 1 1 1 1 1 1 1 1297 1 1 1 1 1 1 1 4199 3040 3586 3358 1 1036 2885 2251 1 1 1375 1 1 1 1 1 1 1 3696 3198 1 1 1 1 1 1 1 1 1197 1 1 1 1 2546 2311 1 1495 1031 2545 2832 2546 2620 261.067 *261.076* 261.076@1.9584398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3338 1 2719 1 1 1 1 1 1 1 1 1 261.076 *261.0866* 261.0866@2.0473852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4558 1 1 1 1 1 1 1 1 1 261.0866 *261.8896* 261.8896@1.0742105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 261.8896 *262.0123* 262.0123@1.1572363 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2023 1 1 1 1 1141 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 1 262.0123 *262.0157* 262.0157@1.1536266 1 1 1 1 1 1 1 1603 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 2586 2211 1 1 1 1 1 1 1 1 2830 1 1 1 1 1 1 1 1 1 1443 2475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9514 10131 1 1 1 1 3001 2603 1 1 1 1 262.0157 *262.05* METHYL 7-DESHYDROXYPYROGALLIN-4-CARBOXYLATE 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15950 15819 1 1 1 1 1 1 1 1 41619 43535 21879 24706 28719 28163 1 1 16648 17909 9889 7941 11017 10388 17569 16522 40719 44172 1 1 21416 20911 11521 10544 17079 18409 20987 20590 46294 44573 54074 56952 50508 50484 40926 39655 18250 18089 48324 48318 262.05 *262.0527* 262.0527@0.8612072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 262.0527 *262.0534* 262.0534@2.8383143 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0534 *262.0578* 262.0578@0.80857867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3855 4022 1 1 1 1822 4790 4871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0578 *262.0612* 262.0612@1.1518669 1 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 1 262.0612 *262.0657* 262.0657@0.71463233 1807 2594 1 1 1 1332 1 1 1 1 2445 1 2399 1 2372 1 1 1 3398 2659 2685 3358 1 1 1 2172 2313 1 1 2953 1662 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 1 262.0657 *262.0677* 262.0677@1.9651943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4011 1 1 1 3574 1726 1 1 9745 1 7673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4643 4714 6962 5937 1 1 1 4361 1 1 1 1 1 1 1 1 1 1 1 5299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3759 1 1 1 1 1 1 262.0677 *262.072* 262.072@1.1573795 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.072 *262.0722* C11 H11 Cl N6 1 1 1 4860 2723 2517 3604 2729 3066 3265 1432 3443 1 1 1 1 4025 2656 1 1 1 1 1 1 1 1 1 1 1 1 1 3404 2325 1 1 1 5996 1 2292 4446 1 1996 1 2584 1 4691 1 2170 1 1 1 1 6454 2075 1 1 1 1 3071 1 3063 1 1 1 3760 4138 1 1 3096 3370 1 1 1 1 1 1 3073 2878 1 4223 4503 4236 1 1 6984 5424 5536 1 3309 3627 262.0722 *262.0796* Asp Glu 1 1 1 1 1 1 3360 3044 2245 1 1 2300 1 2963 6659 4035 4696 5463 1 3672 1 4041 5242 4602 1 2911 5351 6486 3123 4326 1 1 1 1 2708 3057 1 1 1 1 4098 3966 1 1 1 1 3822 1 6844 5396 6002 5020 3702 1 6183 1 1 3040 4887 4053 5002 4607 3868 3749 3203 3945 1 6653 3446 1 3715 3903 1 1 1 4136 4271 3403 5788 6050 6556 7284 5213 4707 3933 1 4889 5203 5122 5133 262.0796 *262.0939* 262.0939@2.9941459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6167 6909 1 1 1 1 1 1 1 1 1 1 262.0939 *262.1382* 262.1382@2.105435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3740 1 1 1 1 1 1 1 1 1 1 1 262.1382 *262.1384* 262.1384@2.1763344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5478 1 1 1 1 1 1 1 1 1 1 1 262.1384 *262.1914* 262.1914@1.0235537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4028 3567 1 1 1 1 1 1 1 1 1251 1 1 1 1 1 1 1 1 1 1255 1 7964 8334 1 1 1 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 1 262.1914 *262.8202* 262.8202@1.2105681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2757 1 1 1 1 1804 1 1 1 1 1 1 1 1 1 1 1188 1 1 1 2437 1 1 1 1 1 1 1620 2701 262.8202 *262.8204* 262.8204@1.0898917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 262.8204 *262.8947* 262.8947@1.2105805 1 1 1 1 1 1 1 1 1 1 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 1782 1 1 1 1 1030 1073 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 4930 4669 1 1 262.8947 *263.0499* 263.0499@1.8835437 1 1 1 1 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 3282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1898 1 2090 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 1 1 1595 1 1 1594 1 1 1 1 1 1 263.0499 *263.0578* 263.0578@1.9653519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3253 4030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.0578 *263.0657* 263.0657@1.9649651 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 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1944 1995 263.0657 *263.0791* 263.0791@1.9598956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.0791 *263.1036* 263.1036@2.0697417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10985 10792 1 1 1 1 1 1 1 1 1 1 263.1036 *263.8877* 263.8877@1.075365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1009 1 1 1 1 1 1 1 1023 1 1 263.8877 *263.9828* C12 H5 Cl O5 1844 1753 1863 2144 1951 1812 2020 1440 2006 1979 1969 2047 1954 2064 1793 2141 1925 1961 1838 1845 2097 1859 1811 1 1976 1974 1928 1902 1832 1715 1675 1819 2106 1953 1873 2165 1807 1757 1957 1896 1860 2086 1994 1882 1834 1834 2042 1925 2125 2318 2717 2942 2444 2453 2141 2246 2113 2095 2076 1907 2711 2561 2167 1670 2878 2653 2278 2512 1990 2273 3121 3279 1723 1762 2222 2319 3237 3141 2926 2968 2903 2877 3054 3111 3066 3139 2855 2999 2751 2789 263.9828 *263.9935* 263.9935@2.0414693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1678 1878 1576 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 1252 1 1 1 1 1 1 1312 1 1 1 2080 2563 1 1 1 1 1042 1 1 1 1 1 1 1 1 1 1 1 1 1 263.9935 *264.0301* 264.0301@0.9210249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11382 9659 1 1 1 1 1 1 1 1 1 1 264.0301 *264.0443* 264.0443@1.8921552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2576 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.0443 *264.0499* 264.0499@1.8891205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2864 2418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.0499 *264.0509* 264.0509@1.5561116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5656 6115 1 1 1 1 1 1 1 1 1 1 264.0509 *264.0622* 264.0622@1.9758514 1 1 1 1 1 1 1 1 1 1 1 1 1431 1880 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 1 264.0622 *264.0656* 264.0656@1.9672242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1810 1905 1142 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 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 2622 2425 1 1 1 1 1 1 264.0656 *264.0765* 264.0765@1.9754524 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.0765 *264.0863* 264.0863@1.958456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1977 1 1 1 1 1 1 1 1 1 1 1 1 1 264.0863 *264.0883* 264.0883@1.9529581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 2641 1 1 1 1 1 1 1 1 1 1 1 1 264.0883 *264.0903* 264.0903@1.9479946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2551 2373 1 1 1 1 1 2486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2384 2221 1 1 1 1 264.0903 *264.0981* 264.0981@1.9103681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1086 1318 1342 1717 1 1 1 1 1 1 2258 3336 1 1 1 1 1 1 1 1 1 1 264.0981 *264.1007* 264.1007@2.0292432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 42255 43304 1 1 1 1 1 1 1 1 1 1 264.1007 *264.1097* N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine 1 1 1114 1308 2012 2037 3742 4025 1 1 3798 4628 1555 1510 1 1 5241 5486 2620 1924 1210 1322 1 1 1 1 1841 1791 1 1 2540 3014 2198 1981 1472 1628 1 1 1364 1097 1 1007 1230 1335 1 1 1153 1549 1 1 1 1 1 1 1 1699 1 1542 1 1 3018 2711 1 1 2998 2893 2823 2395 1712 2057 1 1 1206 1227 1659 1537 1 1 1 1 1649 1720 1 1 1564 1499 6303 6026 1 1 264.1097 *264.1105* 264.1105@2.163187 1 1 1 1 2893 3696 1 1073 1 1 1 1 1 1 1 1 2043 1 1 1 2334 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 2349 1 1 1 1 1 1 1 1 2178 2442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.1105 *264.1488* 264.1488@1.1210579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 264.1488 *264.8832* 264.8832@1.0746421 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 1 1 1 264.8832 *265.0178* 265.0178@5.8414316 1 1387 1179 1428 1 1 1111 1 1142 1028 1356 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 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 2540 2534 1 1 1 1 1 1 1629 1725 1 1 265.0178 *265.1671* 265.1671@1.0282606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1212 5821 11713 4193 1 1 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 1 4897 5450 1 1 1 1 1 1 265.1671 *265.8358* 265.8358@0.7575817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2271 1 1 3335 3415 1 1 1 1 1 1 1 1 1 1 1314 1149 1 1172 1 1 265.8358 *265.9407* C7 H7 Cl N2 O S3 3153 3465 3764 3732 3193 3081 3284 3325 3801 3641 3078 3546 2875 2915 3266 3126 3908 3641 3153 3317 3179 3265 3160 3223 3008 3208 3630 3208 2903 2661 3468 2987 3139 3356 3064 3094 3200 3163 2977 3386 3361 3645 3151 3214 2794 3308 3117 3120 3600 3247 3931 3890 3816 3409 3533 3695 3187 3408 3105 3335 3678 3418 3077 3328 3889 3857 3689 3624 3099 3337 3898 3870 3169 2980 3285 3033 3766 4187 4887 4534 4018 3737 3844 4014 4666 4595 3803 4113 3535 3468 265.9407 *265.9965* 265.9965@1.9739672 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 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 1424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265.9965 *265.9982* C10 H6 N2 O5 S 1 1 1044 1287 1229 1 1139 1035 1029 1 1497 1148 1 1 1 1 1 1018 1097 1 1120 1410 1225 1 1 1231 1412 1596 1 1209 1252 1475 1245 1258 1302 1067 1049 1099 1 1132 1 1267 1063 1054 1417 1236 1608 1175 1 1 1 1069 1 1 1448 1245 1264 1249 1082 1208 1119 1065 1492 1534 1220 1 1547 1382 1 1324 1011 1 1300 1123 1 1208 1099 1 1 1 1 1 1098 1245 1 1 1161 1 1 1 265.9982 *266.0073* 266.0073@1.9704654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 266.0073 *266.1234* 266.1234@2.2632127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1677 1 1 1 1 1 1 1 1 1 1 1 266.1234 *266.146* 266.146@1.1409698 1 1 1 1 1 1 1 1 1 1 1 1 2425 1610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.146 *266.1526* 266.1526@1.2423195 1 1 1 1 4837 1689 1 1 1 1 1 1 3000 2989 1 1 1 1378 2627 1 1 1 1695 1 1 1 1 1 2350 1 1 1 1 1167 1 1 1 1 2080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3037 1 1 1 1468 1474 1 1 1 1 1 1 1 1 1 1 1 1 3396 1 1 1 1 1 1 1463 1 1 2703 1 1 1 1 1 266.1526 *266.1528* 266.1528@1.6360524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9615 10139 1 1 1 1 1 1 1 1 1 1 266.1528 *266.1529* 266.1529@1.0674081 1 1 1 1 1 5431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.1529 *266.1535* 5-[2-(hydroxymethyl)-5-methylphenoxy]-2,2-dimethyl-Pentanoic acid (Gemfibrozil M4) 6824 6273 8053 8405 7077 7638 8572 7697 6373 6590 8240 8543 5836 5930 7363 5942 7299 6920 7131 6171 8035 7486 7546 7443 7978 8352 8770 9060 1 7221 7097 7973 5795 6377 7841 7078 6627 6395 6532 6887 7438 11475 5943 6060 6022 6461 8322 7921 9329 4669 5161 4399 4843 3504 5055 5631 4431 5725 5119 4805 4474 5993 5654 5659 6662 5088 6001 5480 4505 7458 7981 5474 4406 5187 5765 4807 5270 3476 4147 3628 6175 4563 4965 4333 4503 4937 5021 5133 5128 3740 266.1535 *266.1535* 266.1535@2.8762543 1 3352 2455 1 1 1 1 1 1 1 1 1 3409 4408 3290 1 1 1 1 1 1 3129 3259 1 1 1 2781 1 2268 1 1 3240 2885 1 2769 1 1 1 1 3164 1 1 2867 2039 1 1 1 1439 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 1 266.1535 *266.1541* 266.1541@2.0843418 1918 2587 1 2732 1 2325 4151 1 3220 1 1 2700 1 2360 1 1 3858 2254 3296 1 2880 3817 3735 3530 1 1 1 2526 1 4528 1 1 4004 1 1 1 3160 1 1120 3377 3495 1 3832 2186 3558 3754 1 3930 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 2476 1 266.1541 *266.1542* 266.1542@2.1087055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.1542 *266.1543* 5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid (Gemfibrozil M1) 5519 4963 7895 8309 10243 10489 8090 8305 4955 4870 9125 7416 5190 4576 8583 8603 5687 6689 7631 7889 9476 10141 4027 5144 4977 4356 39785 40256 9130 10127 15063 14838 46300 46365 8079 7388 3956 4025 8175 7838 12895 12161 5137 6211 7963 7535 4601 3768 12820 12835 7814 8065 10759 10304 8877 10428 7978 7678 144897 143256 11513 11501 42836 42882 71030 70314 3862 3865 6394 5971 9923 9656 6424 7002 7979 8199 6393 6612 28965 29965 11118 10761 25682 26092 26924 26191 12052 11388 24176 24120 266.1543 *266.9184* 266.9184@0.90503365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2001 1 1 1 1 1 1 1 1 1 1 266.9184 *267.0682* 267.0682@5.79736 1 1 1347 1 1 1 1 1 1 1 1531 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 1 1 1 1 1 1 1 1 1 1 1 1 267.0682 *267.0694* 267.0694@5.7544456 1 1 1238 1375 1824 1693 2085 2138 1293 1556 2032 2040 1 1 1122 1047 1351 1 1342 1181 1 1169 1 1 1 1 1199 1196 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 1345 1062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1245 1 1 1 1 1 1 1 1235 1591 1 1 267.0694 *267.0728* 267.0728@2.045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 267.0728 *267.087* 267.087@0.7130943 1029 1 1 1 1 1199 1 1 1 1 1 1 1424 1400 1 1 1 1 1619 1578 2099 2260 1 1 1 1 1343 1 1047 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 1 267.087 *267.1464* 267.1464@1.0340053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5838 5404 3742 4442 3593 3928 3126 3065 1 1 3019 3473 1 1 1 1 1 1 1 1 3757 3509 3012 1482 1 1 1 1 1 1 1 1 1 1 1 1 1528 1 4221 2640 1 1 1366 1396 1474 1649 1 1 1183 1281 1630 1771 1681 2651 1 1 1 1 1633 1716 267.1464 *267.1473* 267.1473@1.0516382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.1473 *267.8338* 267.8338@0.7593515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.8338 *268.0164* 268.0164@1.5405127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.0164 *268.0434* 268.0434@2.048909 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 1121 1 1 1 1 1 1 1 1 1 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 1 268.0434 *268.08* 268.08@2.9913392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21602 1 1 1 1 1 268.08 *268.0801* Inosine 141240 158277 116882 126278 73187 78550 91484 83598 132661 132320 110354 114662 85915 83758 90449 90643 166718 177798 92195 96705 81081 86953 96276 111000 74616 72323 94958 94452 69710 68475 85138 89069 132899 133137 121937 126097 107563 115752 132677 134919 169653 168053 100680 97545 76881 74917 86856 86070 140501 150309 152671 154777 200239 200190 238691 235180 169784 169728 213791 205275 179541 175344 150906 151291 160135 158215 200515 196640 200832 197268 104118 98669 133021 128713 211785 214373 134871 133261 121409 166002 158794 153337 130845 128411 109214 162352 155973 154460 133651 130740 HMDB00195 C00294 268.0801 *268.0802* 268.0802@2.9467773 16672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3591 1 6841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3373 1 1 1 1 1 1 40349 38413 1 1 1 1 1 1 42083 1 1 1 1 1 34988 1 1 1 1 1 268.0802 *268.0838* 3-Hydroxyphenytoin 4680 4374 2963 3174 4655 4780 4355 4265 3165 3087 3174 2834 6066 6168 4487 4398 2021 2521 7359 6892 9040 8582 4227 4428 4405 4309 5104 4767 5431 5247 1 1 2699 2653 2721 2332 1 1179 2296 2236 1631 1554 2134 1830 1584 2032 1 1 3325 3339 1 1 1 1 1 1 2994 2881 1166 1 1 1 1111 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 1 268.0838 *268.0894* 268.0894@3.645897 1 1 1 1 1 1 2011 1806 1 1 1 1 1 1 1 1 1 1 1663 1393 1575 1829 1 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 2767 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 1 1 1 1 1 1 268.0894 *268.0988* 268.0988@0.977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 268.0988 *268.1104* 268.1104@3.9394825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 268.1104 *268.1403* 268.1403@1.1361159 1 1 1 1 1 1 2177 2150 1 1 2004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1963 1444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1828 1982 2360 1 1 1 1 1 1 1 1 1 1 1 1 3904 4184 1 1 1 1 1359 1 1 1 1 1 1849 1 1297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1403 *268.1439* 268.1439@1.1335303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1349 1452 1395 1 1 1 1 1 1 1 1 1 1 1 1 268.1439 *268.15* 268.15@1.1409278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4016 2253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6311 8697 1 1 268.15 *268.1553* 268.1553@1.1416367 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 4070 4777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5425 3275 1 1 1 1 1 1 1 1 1 1 1 1 3064 1 1 1 1 1 1 1 268.1553 *268.1637* 268.1637@1.0658269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1637 *268.1649* 268.1649@1.2431327 1 1 1 1 1 1 1 1 1 3867 1 1 1 1 1 1 1 1 1 1 1 1 2260 2199 1 1 1 1 1 1 2586 2794 1 1 1 1 1 1 1 1 1774 1699 1 1 1 1 1 1 1 1 1 1450 5896 6062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1649 *268.1651* C11 H20 N6 O2 1943 3852 2622 1 2956 1 1215 1 1 1 1 1 2006 2848 3489 4308 1 1 1 1 5605 4645 9974 9401 2914 3198 1 1 4008 2385 9392 9729 1 1 4238 3414 1 2581 1 1 7729 7842 1 1 1 1 1 1 1 1 6777 7406 16095 16608 3032 3472 1920 2311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7239 6550 6739 6631 1 3223 1 1 1 1 5804 5550 268.1651 *268.1683* 268.1683@1.0897576 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 2515 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 1 268.1683 *268.1752* 268.1752@1.1695482 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 1 1 1 1 1 1 1 1 1 1 1 1 268.1752 *268.1877* 268.1877@1.0301985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 268.1877 *269.0427* C8 H8 Cl N7 O2 1 1467 1 1 1071 1 2866 3037 1 1 1 1 1678 2167 1190 1057 2977 2095 2806 2001 2678 3137 1977 2419 1 1737 2662 2591 1 2428 1 1016 1 1 1735 1489 1 1 1 1 2693 2943 1 1 1 1 1601 1 2281 3769 4570 3960 2318 2598 3327 3056 1592 1792 3488 3194 3529 3261 2070 2061 2802 2582 4243 4268 1700 1491 2062 2426 2332 2803 1712 1725 2921 2194 2545 1 3939 3723 4437 3703 2493 2471 3005 3439 6297 5445 269.0427 *269.0686* C15 H11 N O4 2045 1681 2632 2551 1 1433 2657 2810 1740 1 2729 3292 2610 2586 2191 1951 2680 2415 5014 4078 4016 3964 2710 3069 1699 1 4630 4532 2258 1 3588 3548 3121 3359 2044 2399 2524 1 2218 2452 2864 2732 1 1787 1 2018 2012 1 4951 5559 4044 4162 2500 2800 2313 2978 2514 2616 1 2189 3893 3779 2890 3199 3575 3135 8492 8957 3080 2973 3732 3880 1879 1613 1 2216 3174 2948 4984 6518 5120 4246 4274 4289 5644 5751 5339 5793 4539 3853 269.0686 *269.0813* 269.0813@2.980364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 269.0813 *269.161* 269.161@1.0418319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1713 1844 1 1 1 1 1 1 269.161 *269.8065* 269.8065@3.8318489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.8065 *269.8071* 269.8071@2.0381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1759 1 1 1 1 2178 2084 1955 1 1 1658 1 1 1 1 1868 1984 1874 1892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.8071 *269.8074* 269.8074@3.008 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2977 1 1 1 1 1 1 1 1 1 1 269.8074 *270.0377* 270.0377@1.9618285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9067 1 270.0377 *270.0379* C12 H14 O3 S2 2879 4126 1 3423 1 2809 6639 5487 3137 3062 2894 2820 3980 3104 2526 3004 6398 5723 4645 3753 5497 5603 5747 5496 3288 3577 5892 5411 5697 4434 3346 2532 1830 2002 3414 3798 2825 2688 2716 3264 6464 5482 2615 2478 2608 2420 3634 3324 5625 7821 9573 9126 4568 4865 7805 8576 2798 3471 6668 1220 7562 7037 4285 4134 6183 6745 9755 8980 3459 3224 6552 6553 4468 4755 3619 3418 6086 5730 10538 9143 8894 8280 8409 8986 7871 7330 6096 7571 2314 11868 270.0379 *270.045* 270.045@2.0390735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3253 2841 1 1 1 1 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 1555 1 2003 1 1 1 1417 1 1 270.045 *270.061* 270.061@2.2712977 1 1 1 1745 1 1 1292 1 1 1 1 1 1 1 1 1 1 1 2263 1249 1 1 1 1100 1 1 1388 1 1 1 1 1 1 1299 1 1447 2706 1 1 1 2787 1862 1 1 1 1576 2226 2164 2266 1 1 1 1 2465 1 1 1 1 1 1 1 1 1 3213 3114 1 1 1 1 1 1 1 1 1 1709 1 2114 1 1 6077 1 3072 1 1 3796 1 1 1 1 3935 270.061 *270.0616* 270.0616@2.9746652 1 1 1 1 1 1 1 1 7187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5201 1 1 1 1 1 1 1 10893 1 1 1 24614 1 1 1 1 1 36632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.0616 *270.0619* C8 H15 Cl N2 O6 22516 25687 21980 22674 20071 18959 26139 25317 25107 32799 27127 25516 14452 10612 18098 19329 53206 54457 20755 20218 28536 28487 29406 29523 23047 21093 19169 19441 16064 12998 28694 14088 29198 30465 33731 36947 28719 23855 37440 35764 46564 18924 26583 26814 30384 30600 50315 15699 28246 34098 69738 68234 79339 75998 49771 53311 21273 24533 43247 35701 74400 78322 52121 44186 52264 55126 36993 33021 35481 36640 104980 105962 35528 39467 51477 47398 61708 62015 67849 69899 71342 73423 55773 53102 89532 92791 47365 43976 51295 55114 270.0619 *270.0652* C7 H10 N8 O2 S 7086 7032 9847 10172 5706 6423 8933 10098 6051 7545 13008 13184 10607 8850 9102 8733 11100 10357 14105 15427 16358 16304 9486 10056 6362 6346 18013 18644 10365 8384 15075 13027 13014 14070 9046 9141 7433 11021 9505 8958 9547 10052 6701 7204 7442 7231 6534 6672 20582 20734 18642 18298 12429 10401 11123 8824 9093 11200 8234 10178 14544 15864 13280 10078 12874 14480 35902 36836 14319 14414 18762 19342 8479 8775 8363 10321 12467 14736 25646 18753 18441 16676 15228 17034 19589 22356 23809 26739 17425 13036 270.0652 *270.0656* 270.0656@2.9394407 1 1 1 1 1 4490 1 5381 1 1 6166 5864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4058 1 1 20347 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 8730 1 1 1 1 8470 9394 1 1 1 1 1 10744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.0656 *270.0934* 270.0934@3.2755206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2092 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 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 1 270.0934 *270.0939* 270.0939@5.0497413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1232 1 2142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4869 5459 3351 3000 1 1 1 1 1 1 3979 3566 1 1 1 1 3268 3246 1 1 10764 10263 1 1 2042 1 7600 7213 8863 9730 7806 8209 6406 6994 5399 5287 5647 5205 5335 4703 270.0939 *270.1307* 270.1307@1.1936232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 270.1307 *270.1331* 270.1331@1.9624587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.1331 *270.1369* 270.1369@3.1262608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2843 1 1 1 1 1 1 1 1 270.1369 *270.1394* 270.1394@1.9647627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 2399 1 2387 1 1 1 1 1 1 1 1 1 270.1394 *270.1396* 270.1396@1.629556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3763 1 1 1 1 1 1 1 1 1 1 270.1396 *270.1413* 270.1413@1.1848032 1 1 1 1 1 3644 1 1 1 1 1 1 2990 2700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1538 1 1 1 1 1 1 1 1 1 1 1 1695 2964 270.1413 *270.1457* 270.1457@1.1750766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1482 1 1 1 1 1 1 1 1 270.1457 *270.1522* 270.1522@1.1435596 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 1335 1 1 1 1 1 1 1 1 1 1 1 2204 2194 1 1 1 1 1 2130 1 1 1 1 1 1 1 1 1 1505 1 1 1 1 1 1 1 1 1 1701 1 3020 1 1 1 1 1 1 1 1 270.1522 *270.2146* 270.2146@1.0701699 1 1 1 1 1 1 1 1 1 1 1027 1 1 1 1009 1 1330 1076 1 1 1092 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 2376 1 1 1119 1 1 1 1 1 1 1 1 1 1030 1 1 1 1097 1 1 1 1 1 1 1 1 1 1 1 1 1 1835 2064 1 1 1 1387 1 1 1 1 1 1 270.2146 *270.2182* 270.2182@1.0698647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3812 3933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11699 1 2752 1139 1 1 1 1 1886 1 1 1 1 1146 1671 1 1 1 1 1 1 1 270.2182 *270.2513* 270.2513@1.6310568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2587 2542 1 1 1 1 1 1 1 1 1 1 270.2513 *270.2531* C13 H30 N6 1 1 3595 3210 1647 2814 3171 2757 1 1 4195 3842 1 1 1 1 1104 1 1423 1 2163 1904 1 1 2731 2404 5669 5996 1 1970 2379 2347 1 1 2532 2287 1 1 1430 1 1 1078 1 1 1 1 3445 2479 3316 3331 1406 1300 1 1 3425 3048 1 2699 2169 1668 3353 3215 4168 4247 2615 2272 8530 8076 3748 3541 1774 1230 2891 3775 1 3099 1 1374 1 1 1406 2389 2121 2324 2584 2419 3185 3566 1 1 270.2531 *270.8854* 270.8854@1.0928563 1 1 1 1 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 1346 1121 1 1 1 1 1 1 1318 1176 270.8854 *270.9864* 270.9864@3.0656495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2129 1 1 1 1 2117 1 1 1 1 1 1 270.9864 *271.0141* 271.0141@1.1528856 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 1411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2049 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 2010 1858 1 1 1 1 271.0141 *271.1414* 271.1414@1.1380858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1412 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 1 271.1414 *271.2138* 271.2138@1.2025845 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 1142 1184 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.2138 *271.216* 271.216@1.9722179 1 1 1 1 1 1 1 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 1 271.216 *271.8047* 271.8047@2.972489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1833 1 1 1 1 1 1 1 1 1 1 1 1 1 271.8047 *271.9825* 271.9825@3.123735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3295 2320 1 1 1275 3593 1 1 1 1 1 4594 1 1 1 1 1 1 1629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5177 2396 1 1 1 1 6073 1 1 1 3279 1 1 1 4775 10409 6188 6733 1 1 2784 3640 1 1 1 5921 2277 4960 11865 12800 3006 4665 6215 3520 5369 4619 12576 11774 12911 9438 271.9825 *271.9829* 271.9829@3.162364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5495 1 1 1285 3766 1 1 1 3086 271.9829 *272.0554* 272.0554@3.0232499 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4211 3759 1 272.0554 *272.0766* 272.0766@5.52114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1416 1392 1 1 272.0766 *272.1051* 272.1051@0.797861 1 1 1 1 1 1 1 1 1 1 1 1 1748 1 1966 1827 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 1 272.1051 *272.1063* 272.1063@1.3233328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 272.1063 *272.1093* C14 H16 N4 S 1 1 2644 2311 7963 7271 5094 5988 2812 3084 3384 3176 1 1 1 1831 3694 4007 3539 3213 11292 11927 3203 3402 2829 2847 5042 5496 1 1 2752 5061 1 1639 3971 3721 4523 4086 4035 4380 3064 3110 3346 3796 1 1 4867 4982 2287 1 7062 6437 4849 4316 2542 2632 3758 3563 3903 3312 6828 6487 3040 3090 5469 5236 3709 3733 3670 3174 9400 9250 4131 4148 4569 4665 7274 7135 19162 19689 6941 6420 5585 5174 7437 7157 6278 6001 13913 14041 272.1093 *272.1097* 272.1097@3.3507724 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.1097 *272.2228* 272.2228@1.1049801 1 1 1 1 1085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2094 1841 1 1 1266 1 1 1 1 1 1421 1322 1 1 1 1 1 1 1 1 1 1 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 2628 1 1 1 1 1 1 1 1 1 1 272.2228 *272.2282* 272.2282@1.1073822 1 1 1 1 1 1 1464 1 1220 1 1306 1 1 1195 1753 1 1 1438 1 1 1 1 1 1 1 1 1 1435 1722 1 1 1 1 1 1 1 1 1 1 1 1 1104 1 1 1 1 1 1 1 1 1 1425 1 1323 1 1 1 1 1 1 2229 1996 1 1 1436 1 1 1 1 1 1 1 1 1 1 1 1 1 3241 1 1 1514 1572 1 1 1 1 1 1 1 272.2282 *272.8501* 272.8501@0.7441451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.8501 *272.9297* C4 H5 Cl2 N5 O S2 1 1 2038 2079 1 1 1 1 1 1 2494 1883 1176 1356 1 1 1 1 1309 1 1652 1648 1 1 1705 1687 1 1 2403 2590 1 1 1 1 1 1 2082 2177 1 1 1 1 3982 3947 1569 1853 2288 2338 1 1 1 1 1326 1685 2590 2053 2491 2128 1 1 1 1 2768 2684 1 1 1 1 2029 2090 4152 4437 1 1 1 1 1074 1 2238 1 2196 1859 1604 1 2331 2305 1 1 1 1 272.9297 *272.9851* 272.9851@0.7696127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.9851 *272.989* 272.989@0.7654352 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 1227 1 1 1 1 1 1 1 1 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 1 272.989 *273.0053* 273.0053@3.2613897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12116 12678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.0053 *273.0058* Clonidine Metabolite 3 1 1 1 1 1684 2034 1299 1568 1248 1136 1469 1 1290 1125 1168 1067 1218 1 1 1006 1 1 3040 3341 1672 1705 1541 2527 1791 1821 1 1173 1174 1382 1 1329 1725 2263 1780 1719 1337 1574 1697 1 1602 1412 1540 1699 2118 1804 2868 2315 3088 2547 2627 3081 1404 1679 4353 3731 2966 3206 1545 2067 2503 2882 2764 2733 1156 1 2450 3212 3594 3584 3104 2486 3487 3060 4990 4684 2389 2182 4515 4124 2404 2974 2561 2066 3470 2829 273.0058 *273.0058* C9 H11 N3 O S3 6311 5777 11488 12107 9568 9653 10081 9818 8029 7387 13800 13983 7554 8047 16398 16155 5052 5142 6890 7237 6549 5885 12426 12318 14238 14618 8978 8850 1 1 14881 14703 5078 4975 8759 8899 5738 5076 8103 7793 8752 9285 12955 11161 5356 5126 11789 11419 11914 12510 8573 8255 7229 8323 17784 17471 9070 8944 5552 6500 10184 11459 11743 12137 8948 8861 9318 9409 3382 3267 3969 4248 14620 14613 17529 17269 6554 7330 1 1 5226 4340 3521 2978 8099 7802 3707 2401 4812 4815 273.0058 *273.0062* 273.0062@1.537901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2282 2287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1342 1464 1902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2905 3303 1589 1 1341 1 1 1 1 1 1 1 2348 2161 1 1 273.0062 *273.0625* 273.0625@2.0434296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1984 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 1587 1 1 2239 2043 273.0625 *273.0646* 273.0646@2.0481703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1553 1383 1 1 1 1 1 1 1403 1 1 1 1 1 1 1 1 1 1 1762 1 1 1 1 1 1 1 1737 1714 1963 2400 1 1 1 1 1 1 1991 1734 1 1 1 1 1 1 2018 1907 1 1 1 1 1 1 1 1 1758 1 2427 2417 2309 2433 1696 1 1 1 1745 2020 1 1 273.0646 *273.8883* 273.8883@6.822682 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 1461 1 1 1 1 1 1 1 1 1 1 2128 1909 1716 1914 1 1 1 1 1 1 1936 1 1 1 1 2226 1 1 1 1 1 2508 1 1 1 1 2656 1369 2255 2396 1716 2381 1 1045 1515 1412 1975 1 2124 2318 273.8883 *273.8896* 273.8896@6.832852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1536 1 1 1 1 1 1335 273.8896 *273.9797* 273.9797@2.4061623 1 1 1 1 1 1 1 1 1197 1123 1 1 1384 1482 1 1 1158 1518 1282 1358 1 1 1786 1872 1 1 1 1 1 1 1 1315 1 1 1 1 2031 1972 1967 1830 1 1 1 1058 1 1 1 1 1 1 1178 1 1296 1445 1004 1308 1 1 2082 1 1890 2149 1439 1251 1 1 1 1 1236 1390 2146 1854 1 1 1 1 1651 1162 2174 2197 1581 1781 1 1 3062 3007 1 1 3177 3260 273.9797 *274.0498* 274.0498@0.7182469 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 2478 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.0498 *274.0738* 274.0738@1.6140659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6056 8077 1 1 1 1 1 1 1 1 1 1 274.0738 *274.0787* 274.0787@2.9545028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4142 2266 1871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.0787 *274.1149* 274.1149@0.77772224 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 1 1 1 274.1149 *274.1422* 274.1422@1.1880469 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 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.1422 *274.8897* 274.8897@0.9085319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1835 1 1 1 1 1 1 1 1 1 1 274.8897 *274.9255* 274.9255@0.8047588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.9255 *275.0461* 275.0461@0.81748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3781 3264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.0461 *276.0585* 276.0585@2.6112952 1 1 1 1 1 1 2642 1181 1 1 1 1 1 1 1 1 1 1 2695 2535 2911 3252 3572 3779 1903 1 1 1 1 1 1 1 1 1 1 1 4227 4421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.0585 *276.06* C12 H17 Cl O3 S 1 1 4844 2238 1 1 5796 1 2570 1 1 1 3850 1 1 1913 1950 3952 4725 4969 1 2016 4784 6409 2313 1 1 1 1 1 5472 4357 1495 4591 6221 5881 9128 10054 6278 4760 1 1 2798 2084 1 2985 4833 3991 1 1 15511 18047 7326 10610 3897 3101 3149 2848 3028 6044 18667 12849 6970 1 8067 9710 2135 1 5014 5595 35160 34781 1 1 6200 3819 21981 25069 19616 25551 15921 17394 12303 10163 20469 16513 14004 15243 18004 18527 276.06 *276.06* 276.06@3.0712469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 276.06 *276.0601* 276.0601@3.2260911 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19380 3093 11440 1 2033 1 4999 1 1 1 1 1 1 12220 1 1 1 1 1 1 1 1 1 1 1 1 3210 1 1 1 1 1 1 1 5157 3861 2395 1 1 276.0601 *276.0602* 276.0602@3.0783904 1563 1 1 1 2000 1 8090 3088 1 1 1446 1 1 1 4661 3025 1 5825 11437 4234 9790 5150 1 1 1 1 10788 18708 1 1 1968 1129 8469 5822 1 4263 1 10753 10086 11058 36474 18732 1 1 1 1 1 1 1 1 34309 36843 11383 22594 1 1415 30999 34152 15057 1 50664 23598 13001 1 19715 32111 10301 4192 1 1 329298 342089 1 23084 15248 14947 60213 59157 69210 54534 41116 63610 41131 13754 33998 41669 70311 60338 27667 26735 276.0602 *276.0604* 276.0604@2.9749472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2947 1 1 6951 1 6604 1 7040 1 1 1 1 1 1 1 1 1 1 1 1 1 4327 1 10329 2987 4470 1 17853 1 1 1 1 1 4137 4230 1 23345 4921 10218 4159 1 3086 2827 2527 1 1 20135 33987 1 1 5421 1 1 4985 1 1 1 1 1 1 1 1 1 10085 22777 35151 30717 1 1 11001 10439 1 1 1 1 1 276.0604 *276.064* 276.064@0.7893721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2019 1 1 1871 2031 1 1 1 1 1 1 1 1 1 1 2499 2293 1 1 1 1 1 1 1 1 1 1 1 2057 2239 1 1706 1 2414 2038 1 1 2008 2160 276.064 *276.0888* 276.0888@1.9523873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 276.0888 *276.0935* 276.0935@1.9865972 1 1 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 2573 1 1 1 1 1 1 1 1 1 1 1760 2449 1 1 1 1 1 1 1 1 1588 1 2036 1 1 1 1 1 1 1 1 1 13099 2696 1 1 2015 1 2363 2723 2567 4552 1 1 1 1 1 1 1 1 3028 1618 1 1 1 1102 1 1 1 1 1 1108 276.0935 *276.0994* 276.0994@1.9886425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3142 1 1 1 1 1 1 1 1 1 1997 1 1761 1 1 1769 1 1 1 1 1 1 10019 1 1 1 1 1 1 2169 1 1 1 1 1 1 1 1 1 1 1957 1 1 1630 13551 1 1 2041 1 1 1 276.0994 *276.1744* 276.1744@1.119942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2166 1 1 1 1 276.1744 *276.8531* 276.8531@1.0158632 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.8531 *276.941* 276.941@2.9972768 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 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 1397 1 1 1 1 1 1 1 1 1 1 3111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.941 *276.9997* 276.9997@3.242138 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1712 1 1 1 1 1 1 1 1 1 1 1 276.9997 *277.0069* 277.0069@0.80725926 1 1 1 1 1 1 14558 14911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2201 1 1 1 1 1 1 1 1 1982 2248 1 1 1 1 1 1 1 1 1 1 3287 3448 277.0069 *277.0639* 277.0639@3.0551786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4452 1 1 1 1 1975 1 1 1 1 1 1 1 1 1 1 1 1 1 277.0639 *277.0765* 277.0765@3.0567124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 2820 1 8145 1 1 8851 8430 1 1 1 1 277.0765 *277.0806* 277.0806@2.9802415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23384 22591 1 1 12497 12646 1 1 13065 18793 10799 10982 277.0806 *277.0834* 277.0834@2.8577213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6901 6168 1 1 1 1 1 1 1 1 1 1 277.0834 *277.0858* 277.0858@2.028 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 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 1 277.0858 *277.0951* 277.0951@1.9551188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1511 1 1 1 1 1 1064 1 1 2218 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.0951 *277.099* C12 H23 N S3 1084 1 1 1 1 1 2342 2916 1 1 1 1 1 1 1 1 1573 1739 1 1690 1836 2070 2102 1841 1 1 2988 1 1 1201 1 1 1 1 1202 1487 1 1 1 1 2530 2294 1 1 1 1 1223 1 2463 2122 3711 3834 2313 2192 2821 2977 1 1335 2820 3162 4335 4289 2046 1602 3402 3699 4106 4455 1602 1617 2645 2364 1714 1847 1377 1423 2160 2107 7311 5184 4418 4713 4194 4218 3093 2972 2435 2935 5262 5314 277.099 *277.1002* C12 H15 N5 O S 2387 2372 2729 2750 2190 2111 2586 2757 2123 2560 3706 3712 2902 2745 3005 3092 3875 3834 3019 2942 3041 3107 2536 2983 3007 3019 3664 3785 3053 3261 3172 3713 3382 3280 3570 3531 2926 2885 3309 3375 3562 3644 3383 3094 2535 2695 3099 3162 2929 3621 3500 3420 4290 4211 3302 3219 3865 4365 2967 3506 4427 4444 4644 4532 6032 6258 3534 3159 3823 4166 3183 3319 5030 5241 4589 5045 3422 3398 3413 3442 3538 3981 5125 4996 3383 3804 6826 7962 3641 3585 277.1002 *277.8054* 277.8054@0.739959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1068 1222 1454 1337 1 1 1 1 12215 11500 1 1 1 1 1 1 1 1 1 1 1 1 6942 6771 1 1 1 1 1 1 1 1 1 1 38183 42697 1 1 1 1 1 1 1 1 6354 5676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1191 1046 1 1 1 1 1 1 1 1 1 1 1166 1531 277.8054 *277.9368* 277.9368@1.2235131 1 1 1 1 1 1 1304 1 1 1 1368 1220 1 2733 1336 1 1 2112 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 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 1 277.9368 *277.938* 277.938@3.1311195 1 1 1 1 1 1763 3446 1 1 1 1 1 1 1 1 1 8670 1 1 1 1 5329 1 1 1367 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 2848 2302 1 1 1 1 1 1 7312 4333 1 1 4646 2304 1 8481 1 1 1 4716 1 1 1 1489 1 1 1951 1 1 3475 1 2299 2408 2144 1772 1 2608 1 3041 277.938 *277.9381* 277.9381@2.9724936 1 1 4868 1095 2758 7351 3341 1 1 1 1 3272 8806 1913 3675 1 7577 5434 1 3626 15937 4950 1 1 4023 1 1 1 1 9362 1 1 1640 1525 2083 1 4981 1 4700 1 1 2907 1 1 1 1 1 1 3651 5944 13698 15472 15082 9621 13535 3221 4831 1 10589 5732 8799 1 4787 5249 4262 1 5083 14002 3324 1 3040 1051 11943 13340 8653 9158 1 2479 1 1 1 1 1 1 1527 1 1 1286 1 1 277.9381 *277.9384* 277.9384@3.0280952 1 1 1 1 1 2599 6807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1723 1 1 1 1 1 277.9384 *277.9385* 277.9385@3.6922843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.9385 *277.9387* 277.9387@2.2268746 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 1285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2274 3738 1 1 1 1 1 1 1 1 1 1 1 1 2012 1420 1720 2921 1 1 1 1 1 1 1876 1 1201 1 1679 1803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.9387 *278.0191* 278.0191@2.045648 1 1 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 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 1 278.0191 *278.0232* C8 H11 Cl N4 O3 S 1 1465 1568 1741 1 1 1 1 1600 1 2128 2025 1 1 1370 1459 1524 1453 1 1 1 1 1 1 1613 1604 1 1 1 1 1445 1 1 1 1443 1259 1870 1 1205 1101 1 1022 1 1 1461 1229 3119 3480 1 1 1 1 1216 1218 1947 1623 1 1043 1506 1611 2873 3180 2564 2769 2466 2030 3322 3208 1923 1 3981 4317 1325 1348 2958 2798 1838 1821 1 1 1 1559 1 1 1446 1529 1446 1898 1 1 278.0232 *278.0576* 278.0576@0.71731204 1138 1116 1290 1 1 1110 1094 1208 1 1 1926 1857 2877 3134 1752 1 1 1 2709 3125 1627 1874 1 1 1 1 1 1 1 1 1400 1 1536 1386 1 1 1 1 1 2598 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 1 278.0576 *278.058* 278.058@3.1692607 1 1 1 1 1 1 2256 1 1 1 1 1 1 1 1 1 1 1 1 1593 1 1 1 1 1 1 1 1 1 1 1 1653 1 3018 1 1 1 1 4306 2832 1 1 1 1 1 1 1 1 1 1 9985 3511 7838 1 1 1 1 1 2978 1 4095 5064 1 1 2435 1 1 1 1 1 1 1 1 1 1 1 3517 1 5682 1 1453 1 1 4488 6109 5748 1 1622 1 1 278.058 *278.0587* 278.0587@3.3761864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 6577 1 1 1 1 1 1 1 1 1 278.0587 *278.0601* 278.0601@1.5510929 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.0601 *278.0613* 278.0613@2.958931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1878 1 1 1 1 1 1 1 1 4205 1 1 1 1 1 1 1 1 1 278.0613 *278.066* 278.066@1.4581785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8768 10882 1 1 1 1 1 1 1 1 1 1 278.066 *278.068* 278.068@2.9171555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1931 1 2331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.068 *278.0721* 278.0721@3.0409114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12877 22762 1 1 1 1 1 1 1 1 1 1 36485 39868 19501 19621 33914 44621 1 1 36064 37460 1 1 1 1 278.0721 *278.0772* 278.0772@2.9801207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87615 91071 1 1 58656 61361 1 1 74563 88461 50695 46743 278.0772 *278.0791* 278.0791@2.330812 1 1 1 1 1 1 2837 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 1691 1 3088 12039 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 2890 1 1 1 1 1 1 1 1 1 278.0791 *278.0792* Propanoic acid, 2-hydroxy-3-[(4-hydroxy-1-naphthalenyl)oxy]- 1 1 1 1 1 1 8532 10867 1 1 1 1 1 1 1 1 1 1 1 1 11537 11453 2276 6908 1 9705 12847 6566 2346 4319 1 1 1 1 1 1 1 1 1 1 2114 1 1 1 1 1 1 1 5327 4592 2199 2664 1 1 6733 3298 1 1 2583 1 8673 1 1 1 10788 5636 11602 10936 1 1 1044 8581 10326 2064 1 1 4656 4966 43741 43950 10273 13057 7347 7546 4637 3083 3074 6362 6560 11972 278.0792 *278.0796* 278.0796@2.034998 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4598 4294 1 1 1 1 1 1 1 1 1 1 8030 6390 1 1 1 3388 1 1 1 1 4028 1 278.0796 *278.0796* 278.0796@2.8602219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31894 31979 1 1 1 1 1 1 1 1 1 1 278.0796 *278.0869* 278.0869@1.9676577 1 1 1 1 1 1 1 1 1 1 1 1 2111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.0869 *278.0899* 278.0899@1.9624901 1 1 1 1 1 1 1 1 1 1 1 1 1 1811 1229 1 1 1 4710 1 1 1 1 1 1 1 1 1 1 2719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.0899 *278.0969* Gualenate (Sodium Gualenate) 2288 5759 1463 2034 1846 5015 15264 14713 2448 5548 1501 1645 1 1 1 1 3355 3383 1 3560 10642 3970 11147 11548 5474 2378 9927 8983 2639 1 6417 3263 1790 1 3034 2677 2202 2321 2624 3051 4938 4940 1360 1742 1 1186 2721 2759 4155 4624 6895 10874 5005 5025 15809 16272 7433 2616 16882 17936 7527 8146 4011 3861 18407 7027 15083 14888 3156 1 5797 5796 3986 3941 2930 3046 3988 3852 27787 27575 7581 7126 7770 8422 5855 5564 15227 5409 30059 10673 278.0969 *278.1148* 278.1148@2.505486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.1148 *278.1181* 278.1181@1.0081999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.1181 *278.1514* 278.1514@1.1261398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4356 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2211 1 1764 1 1 1 1 1 6025 4860 278.1514 *278.1631* 278.1631@1.0826612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2103 2227 1 1 1 1 1438 1522 1 10046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5550 2360 1 1 17310 7313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5964 3537 1 1 1 1 1 1 1 1 278.1631 *278.1692* 278.1692@1.0881054 1 1 1 1 1 1 1 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 1492 1 1 1 1 1 1 3896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1793 1452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.1692 *278.1767* Triprolidine 1 1 1636 2091 1621 1751 1 1 1 1439 1 1 1 1 1 1775 3065 1751 1 1 2175 2279 1 1 1 1 1654 1251 1 1 1 1 2513 4241 1 2026 1 1 1 1 8479 9170 1365 1350 1 1464 1 1700 1 1 4670 1 1 1 2140 1 1820 2100 1 1 2618 5876 1 1 2334 1 1911 2006 3160 3371 1 1 1 1 1 1 1 1 4225 10221 1 1 6884 5471 1 1 2270 2520 1 1 278.1767 *278.177* 278.177@1.9691665 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 1 1 1 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 1 278.177 *278.1801* 278.1801@1.974222 1 1 1 1 1623 1 1 1 1 1 1 1 1 1 1 1 1 1 2181 1 1725 1646 1 1 1609 1 1 3670 1 2276 1841 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 1687 1 1 1 1868 1 3056 1644 1105 1710 1 1 1 1050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.1801 *278.1817* 278.1817@1.0833858 1 1 1 1 1 1 1118 1 3357 1 1 1 1 1 1 1 1 1 2042 2028 1 1 1 1 1905 1 1 1 1 1 1 1 1 1 3792 1 2599 3050 2613 1903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2391 1 1 2065 2210 1 1 2863 2257 1 2263 1 1 1 1 4815 4707 1495 1 1 1 2351 2071 1 1 1 1 1 1 1294 1681 1 1 1752 2031 278.1817 *278.1893* 278.1893@1.0399184 1 1 1 1 1 1 1 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 1052 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2430 1 1 1 1 1 1 1 1 278.1893 *278.2093* 278.2093@1.0290827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.2093 *278.2145* 278.2145@1.0251988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.2145 *278.8673* 278.8673@1.8973653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3692 4448 1 1 1 1 1 1 1 1 1 1 278.8673 *278.8679* 278.8679@1.1714282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1771 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 1 278.8679 *279.0611* 279.0611@3.941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 279.0611 *279.0639* 279.0639@2.960611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 279.0639 *279.0722* 279.0722@3.0724459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 279.0722 *279.0735* 279.0735@2.4231281 1 1 1 1 1 1 1 1 1 1 1414 1671 1 1 1 1 1 1270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1521 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 2817 3193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1603 1 1638 2794 2921 1 2125 1 1 279.0735 *279.0845* 279.0845@2.8814173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 279.0845 *279.0899* 279.0899@1.9653015 1 1 1 1 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 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 1 279.0899 *279.0955* 279.0955@3.31397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 279.0955 *279.0982* C10 H18 Cl N3 O4 1 1 1 1 4510 4690 4499 4934 1 1 1 2394 1 1 1 1 3142 3090 2308 2168 7827 8561 2338 2933 1198 2446 3797 4165 1 1 1 1 1 1 2207 2193 1 1 2238 2235 3356 2493 2457 1 1 1 2460 2618 1737 1 8683 8540 3082 3299 1 3021 1948 2118 2372 1924 6978 6495 1 2199 4687 5148 3046 3728 1878 1913 9353 9873 2722 2747 2396 2282 6162 7226 28746 28340 8638 9413 7494 7391 8235 9414 6976 7113 13290 12446 279.0982 *279.0985* 279.0985@2.355547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16714 16086 1 1 1 1 1 1 1 1 1 1 279.0985 *279.0994* 279.0994@1.953534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1838 1 1939 1979 1 1865 1 1 1 1 1 1 1 1 1 1044 1 1 1637 1 1737 1551 1 1 1 2750 1 1 1 1 1 1531 1801 1891 3794 1 1 2927 1 1 1 1 1 1 1 1 1 2440 1 1 1 1 1151 1 1 1 1 1 1446 1 1 1 1 1 4067 4422 4138 3984 1 1 1 2480 1 5089 279.0994 *279.1015* 279.1015@1.9455088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.1015 *279.1582* 279.1582@1.2008957 1 1 1 1 1151 1 1 1 1 1 1752 2800 1274 1932 1 1 5400 5179 1 1130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1246 1287 1 1 1 1 1 1 2256 3854 1 1 1 1 1 1 1 1 1 1252 1 1 1 1 3287 3352 1 1 1 1 1101 1 1 1 1 1 1 1 1 1 1 1 1 1 5145 5942 1 1 1 1 1 1 2606 1 279.1582 *279.9439* 279.9439@2.1247714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2887 1 1323 1 1 1 1 1984 3577 1 1 1 1 1 1 1 1 1 1 1 1 1610 1 1 2512 1 1 1 1 1 1 279.9439 *279.9878* 279.9878@2.7221665 1091 1 1 1 1013 1 1 1 1 1 1 1 1 1175 1410 1 1 1 1 1282 1284 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 1298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2017 1 1 1 1 1 1412 1 1 1 1528 1 2639 1 1 3797 279.9878 *279.9879* C13 H4 N4 S2 6444 7769 6801 7456 5287 8126 8025 8915 7206 8563 8189 7817 8505 7657 7863 5599 5945 6788 7543 8051 8179 7740 6121 6568 8092 7078 7520 1 7640 8217 7161 7265 3931 1 7875 7031 7621 6972 5212 3711 6377 6284 7522 1 6635 7083 7585 7817 5876 6386 1 1 2172 1 1 1 3857 1 4434 4603 1 1378 4665 5365 1 1 1985 1 4175 5791 1 1 6191 7864 2266 1721 1 1 1 1 2322 1 1 1 1 1 1 1 2945 4148 279.9879 *279.9887* C14 H10 Cl2 S 3206 5085 4289 3408 5026 6626 6821 5818 4312 3913 4962 5849 2149 2509 2912 3924 5217 5300 4922 3291 3028 4139 5170 6046 4870 5227 4156 6054 2287 3938 4771 4252 1410 4798 1756 5034 4804 2403 4804 3692 4611 4680 3987 7104 4779 4661 4239 4977 3027 4140 3034 7200 6633 5711 1 1265 4004 4442 4987 3321 7859 6858 3821 1573 4631 5339 3799 4456 4624 3359 7977 4256 4721 4055 1616 3755 5366 7120 9000 9564 4271 7723 7313 6103 6495 8229 2947 6410 6114 2500 279.9887 *279.9891* 279.9891@2.80186 1 1 1 1 2793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.9891 *280.0351* 280.0351@2.04525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3302 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 1 280.0351 *280.0443* 280.0443@1.7397683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2371 1 1 1 280.0443 *280.0454* C9 H13 Cl N2 O6 83765 87198 65612 66555 61292 61616 96626 96837 88003 87961 64852 63486 73740 72371 109507 109655 137782 140018 62880 62777 82945 84929 100795 101977 90377 90644 69375 70388 91946 95028 91549 89878 54624 55778 107395 106808 94295 95113 59616 60985 185027 183915 101312 99292 96509 97404 123023 121336 109255 118704 219954 220006 158700 160064 192024 192254 134297 139963 127606 125800 162583 160351 198886 200273 132748 131499 193339 196826 90161 86813 143525 142993 202554 194036 209980 212479 104679 106449 353682 362063 141289 143637 155598 157128 105766 103830 121517 123231 172464 168533 280.0454 *280.0456* 280.0456@2.1727717 1 1 1482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2694 2617 1 1 2165 1 1 1 1 1092 1 1 1 3755 3701 3143 4133 3212 2831 2952 2416 1 1 1 3132 2332 1 1 1 2492 2177 2501 2672 1 2148 2764 1 1 1 3250 2543 1 1 3331 4468 3216 3136 3840 2307 5466 7255 2985 4534 4936 5846 3902 3041 1 2827 2728 1540 1 1 3449 3150 2151 2976 4099 4860 3685 3413 4759 3312 280.0456 *280.0488* C11 H20 S4 1 1 1 1959 1 1 1324 1 2446 2101 2085 2117 1 1 1 2423 2342 1 1 1 1 1306 1 1 1969 1 1 1 1 1 1 1 1 1 2076 2403 2574 2666 1541 1 2671 1 1 1956 2289 2171 1 1 1 2643 1 3990 1 1 3143 3757 2831 3441 1 1 1 3050 4096 4293 1 2257 2984 3522 1 1865 3112 3363 3923 3981 1 5952 2760 3285 1 1 1 2267 1 1440 3188 3335 3700 3167 1 1869 280.0488 *280.0495* 280.0495@2.0410175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.0495 *280.0565* 280.0565@2.0363276 2982 2815 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 5940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2760 1 1 1 1 1 2733 1 1 1 4605 4479 1 1 1 1 1 2497 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 1 280.0565 *280.0659* 280.0659@5.8455753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4440 1 1 1 1 1 1 1 1 2044 1 1 280.0659 *280.0662* 280.0662@2.0170789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2253 1 280.0662 *280.0733* 280.0733@2.0587535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22054 27464 1 1 1 1 1 1 1 1 1 1 280.0733 *280.0748* 280.0748@2.9408038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2611 280.0748 *280.0781* 280.0781@3.0201788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2154 2614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6202 1 1 1 1 1 1 1 1 3463 280.0781 *280.0863* 280.0863@2.0113385 1 1 1 1 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 3174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7445 1 1 1 1 1 1 1 1 1 1 1 280.0863 *280.0936* 280.0936@3.3436148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3302 1 1 1 1 280.0936 *280.0953* 280.0953@1.9516599 3047 1 1 2524 2930 1 1 1 1 1 1 1 1 1 1 2373 1 1 1 1 1 1 1 1 1 2591 1 1 1 1 1 1 2070 2383 3994 1 6273 6718 1 1 1 7840 3187 3460 3108 1 5086 5215 1 1 1 1 10743 9669 1 1 1 2979 1 1 1 1 9177 8543 1 1 1 1 4367 1 1 12364 1 5307 1 4569 1 1 1 1 1 1 1 1 11644 1 1 1 1 1 280.0953 *280.0958* C15 H20 O S2 4902 4850 6067 7180 20699 20345 21350 21329 7021 7060 8173 8903 6443 6298 4584 5212 12923 14515 10472 10451 36413 35377 11554 13217 6690 6898 16913 15647 4779 4765 7070 7477 4539 5202 10354 9833 8771 10670 10695 11144 9720 9860 8408 8701 3374 3398 11661 11630 7748 7199 35860 35535 13030 13177 9518 8946 9681 10450 9239 9587 29332 26486 7188 7298 20934 20630 15976 16955 8481 8698 44250 43813 10563 10282 10791 11803 32041 31390 137686 132636 39000 42597 31098 32484 38372 35263 29950 31551 56278 58294 280.0958 *280.0959* 280.0959@2.3415532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84180 78125 1 1 1 1 1 1 1 1 1 1 280.0959 *280.131* 280.131@1.1384721 1 1 1 1 25356 26289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.131 *280.1358* 280.1358@0.8470669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1635 1 1 1 1 1 1 1 1 1 1 280.1358 *280.1661* C12 H20 N6 O2 1858 1226 1465 1493 3339 2937 1851 1544 2268 2785 1535 1345 3858 3103 2378 2185 4141 1 2837 7079 1657 1320 1246 1844 1396 6499 2941 2040 1485 1538 2218 2078 1 1 4892 1 1304 1201 1505 2853 1 1 1467 1825 1959 1847 2509 1425 1247 1097 1146 1391 1473 8867 1154 1 1870 1336 1279 1 2408 2363 1626 1 1315 1 1203 1 1952 1526 1 1 1 1110 1208 1758 1 1334 1799 1387 1484 1 1278 1367 1 1 1630 1179 1257 1236 280.1661 *280.1681* 280.1681@1.0568513 5994 6544 1 3289 1 1 2362 2712 1 3887 1 1 2449 2332 1 1 1 1 1 1 4093 6422 6483 6587 6086 1645 1 5953 4998 1 7974 1 1 1 1 1 2431 3453 2664 1590 1 1 1 2040 1 1809 1672 1669 1 2558 4911 5172 1 1 1 1 4032 3905 1549 1 1 1 1 1 7516 1 2284 1 1 1 1 1 1 1459 1980 1 1 1562 5706 1 1 1 1 1 1 1 1 1 1 3072 280.1681 *280.1699* 280.1699@0.81394976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1950 1979 1 1 1 1 2505 2343 1423 1365 1830 1738 1 1 1 1 1 1 1222 1 1041 1396 1 1 1 1 1 1 1361 1391 1 1 1 1 1 1 1 1 1 1 1725 1656 1720 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 1969 2215 280.1699 *280.8639* 280.8639@1.8963667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3613 3744 1 1 1 1 1 1 1 1 1 1 280.8639 *280.8663* 280.8663@1.1691589 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 1520 1 1 1 1 1 1201 1 1 1 1 1880 1891 1045 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 1283 1231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.8663 *280.9239* 280.9239@0.6965404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2009 2043 1 1 1 1 1 1 280.9239 *281.1238* 281.1238@1.9616394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.1238 *281.1261* 281.1261@0.75021005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.1261 *281.1685* 281.1685@1.049077 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.1685 *281.9151* 281.9151@5.557512 1 1 1 1082 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 1067 1 1 1 1 1 1 1 1 1 1 1 1 1197 1 1 1 1 1012 1231 1 1 1 1 1 1 1136 1310 1373 1 1 1281 1043 1504 1438 1075 1 1 1045 281.9151 *282.043* 282.043@6.815933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1490 1 1 1 1 1 1 1 1 1 1185 1 1 1 1 1 1 1 1 1643 1470 1 1 1 1 1811 1417 1 1 1302 1355 1 1 1155 1085 1897 1 1 1 282.043 *282.0503* 282.0503@1.1956993 1 1 1 1 1 1 1 1 1 1 1 1 3369 4038 2602 4132 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 1 282.0503 *282.0509* 282.0509@2.172173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3041 1985 1 1 1 1 1 1 1 1 1 1 282.0509 *282.0548* 282.0548@2.0211077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.0548 *282.0584* 282.0584@2.0239232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3481 1 1 2804 1938 1 1 1 1 1 1 1 1 1 1 1 1 1 1184 1 1 1 1 1 1 1 1 282.0584 *282.0599* C13 H15 Cl N2 O S 4861 5333 4874 5125 4147 4126 9601 10298 4856 4985 6595 5984 4174 4219 6573 6522 10617 15297 5713 5369 14410 14837 5451 4644 4608 4822 7619 5671 4181 4658 12614 13163 7357 10171 11379 11151 12674 11886 4764 4454 15992 15653 5258 7820 5798 5291 14444 14913 17549 18359 10769 14846 15700 15650 14317 12913 7035 8019 14242 13448 18404 17821 26829 28727 17475 17583 36273 36484 11229 7859 25758 26610 14690 13845 20456 20187 7174 7276 24834 24265 15542 15246 14632 14020 13707 12935 14300 14816 16353 16051 282.0599 *282.0657* 282.0657@1.971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 282.0657 *282.0823* 282.0823@2.2978168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 282.0823 *282.0916* 282.0916@2.301269 1 1247 1 1 1 1 1 1 1 1705 1 1 1 1648 1 1 1862 1 1 1 1 2343 1 1 1 1 1 1 1 1 1 1 2095 2629 1578 1 1 1354 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 1763 1427 1 1 1 1 2689 2697 1 1 1 5219 1 1 1 1 1 1 1 2149 1 1 282.0916 *282.1265* 282.1265@0.76382136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 282.1265 *282.1572* 282.1572@1.0661831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4270 4225 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 1 1920 2074 1635 1994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.1572 *282.1657* 282.1657@1.0599833 1 1 1 1 1 1 1 1 1 1 3098 2841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.1657 *282.1697* 282.1697@1.0565357 1 1 2520 2275 2772 3290 1 1 1 1 1 1 2791 2519 1 1 1 7104 3783 2627 1 1 1 1 1 1 1905 1 11704 11129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2271 2416 3766 5746 1 1 1 1 1 1 1 1 1 1 2948 3324 1 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 1 282.1697 *282.1764* C15 H26 N2 O S 1655 1654 1205 1460 1492 2290 3548 3730 1 1992 1998 1779 1759 2174 2185 1974 2265 1860 1 1940 2523 4178 1297 2182 1 2219 1 1717 1 1 1 1 1 1506 1164 1 1 1 2078 1944 1 1 1 1648 1 1 1377 1 1677 1 1878 1669 2698 2237 1783 5188 1489 1891 2904 3384 1 1 1967 1 1477 1746 1562 1 1 1 1 1197 1348 1171 5288 1322 2218 2108 1 2033 1 1 1 1 1503 1228 1 1 1325 1932 282.1764 *282.1819* C12 H22 N6 O2 1 1 1 1 1 1 1884 3141 7831 6981 1 1 1 1 1 1 6081 1 2502 1 14663 13173 19054 20502 1956 1 3910 1 1 1 51283 53412 16244 17212 33130 33972 17085 15937 3415 3289 35546 36950 1 1 1670 1827 1 2004 1 1 1 24697 1 45044 4571 1977 6103 6391 2587 1930 3189 4745 1604 1377 1 4417 1 1545 20634 19585 1951 2002 5008 4909 1520 6476 1613 1197 22314 24293 22327 21802 28102 29347 1460 1210 19262 17998 24233 23639 282.1819 *282.2485* 282.2485@1.9755008 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.2485 *282.2493* 282.2493@1.0399125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1715 1 1 1081 1391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.2493 *282.2527* 282.2527@1.9727839 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 1305 1528 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 7770 6782 3311 2817 1 1 1084 3513 1 2439 1 1 1 1 2124 1 1 1 1 2517 1 1020 1 1 282.2527 *282.2543* 282.2543@1.6295595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1454 1 1 1 1 1 1 1 1 1 1 282.2543 *282.9634* 282.9634@1.5156908 1 1 1782 1502 1524 1488 3193 1 1 1 2031 2004 1 1 1 2193 1 1758 1949 2195 1634 2000 1 1 1 1 1916 1879 1 1 1 1 2366 1705 1305 1 2237 1 1221 1 1 1253 1270 1559 1 1 1 1 2386 1520 1 1 1 1 1 1 1 1 1 1 2187 2445 1 1 1 1773 1 1 1756 1 1 1 1 1 1 1 1 1 1 1 1 1 1514 1 2263 1795 1628 1731 1 1 282.9634 *283.0398* C16 H10 Cl N O2 - 2.4169345 23141 11564 1 24815 16790 1 1 1 11811 13923 13184 14612 15067 16388 19215 1 1 12607 12742 9710 22781 1 14156 13846 31718 32128 17053 16706 24896 24901 11666 1 8653 8668 12234 13325 10504 10073 7435 7926 14617 13951 21547 22429 10671 15202 13881 13820 14777 1 1 4745 1 1 10171 9183 7656 1 10166 1 1 1 8018 7631 7732 7766 30015 6893 8514 9097 16523 1 14342 15756 1 5991 7612 1 1 9766 1 29394 36795 7972 1 1 24924 17780 6324 7247 283.0398 *283.04* 283.04@2.5169003 1 1 1 1 1 1 1 1711 1 1 1 1 1 1 1 1 1 1 1 1450 1240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2910 1 1 1 1622 1 1 1 1 1 1 1 1 1 1 1 2393 1 1 1 1 15327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18139 1 283.04 *283.0401* C16 H10 Cl N O2 1 1 10747 1 11309 28091 10142 13371 10293 1 10252 7209 6669 6406 1 6724 12583 1 1 3591 10431 12007 7579 8241 1 1 8837 11572 1 1 1 11278 6707 7769 11541 11706 1182 7282 7696 8521 12414 1 1 1 1 1 1 1 9431 7756 31061 28174 20936 20016 17451 19931 15005 21238 1 1 26619 29190 7636 1 24716 25605 1 22390 10965 10209 1 30148 1989 15936 22296 16374 18222 28850 37495 26991 29076 1 1 24229 25616 26748 4249 1 3675 20144 283.0401 *283.0401* C9 H10 Cl N7 S 1904 1 1913 1 3088 3707 1 2745 2153 1 3465 2955 1320 2428 1 2315 3099 5154 2253 3784 2679 3783 3894 3765 1 1 2257 2140 1 1 1 3372 2663 2675 1 1 3208 1 2853 1 2480 1 3043 3063 3344 3213 1 1364 3345 2899 5799 6042 3583 3213 4200 2148 3412 3595 3672 4537 4133 4636 4229 2568 3707 3512 3164 4116 3301 3390 2249 3321 2337 4362 2640 3443 2581 2972 1 1 4737 3209 1 3326 2476 2132 2734 4259 4685 4389 283.0401 *283.043* 283.043@2.0642467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4076 6169 1 1 1 1 1 1 1 1 1 1 283.043 *283.0584* 283.0584@2.9421759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4051 1304 1 1 1 1 1 1 1 1 1 1 283.0584 *283.1119* C7 H17 N5 O7 8603 8932 8094 8610 8518 8951 9708 9845 10503 10117 9386 9829 9283 9201 10508 10680 11112 12152 11037 11777 11169 10414 10929 10657 9740 10538 12102 12197 9956 9053 10536 10513 11843 11981 11558 12154 11343 11344 12847 12339 10980 11631 12083 10803 10481 10456 10224 9890 8991 9613 11190 10262 11261 10834 12502 12326 14201 14309 12137 12049 13693 13677 13362 13531 14486 15552 13548 12225 11484 11017 11849 12362 11816 11347 13462 13475 12210 12620 15505 16084 12869 13425 12446 12819 12537 12849 14392 14959 14722 12647 283.1119 *283.9478* 283.9478@1.4074417 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 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 1656 1 1 1 1 1 283.9478 *284.0327* 284.0327@1.7070054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 284.0327 *284.0362* 284.0362@2.764751 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 1 284.0362 *284.0366* C13 H8 N4 O2 S 36717 51756 27595 28554 82713 73035 98646 51700 40684 38922 34726 32049 18914 20085 59226 20320 59057 63888 58732 51153 45058 38483 27490 40402 148097 138240 33070 44487 93894 11451 41205 64347 32143 26646 55237 58735 47480 42739 37659 40473 61197 42315 60024 62060 21716 44992 65213 66968 41811 26863 149889 147653 82217 77574 90648 91046 43882 62470 51311 51801 128036 139433 42709 38353 138325 122266 137141 112767 45747 45515 143390 142685 77255 82954 75351 84705 136958 132705 163301 162805 136551 141180 151316 144176 124870 122467 144762 66824 94883 87955 284.0366 *284.0366* C13 H8 N4 O2 S - 2.4311845 64891 1 1 66772 1 1 1 110267 58809 62957 52531 69869 68637 67496 4485 45642 64793 59111 1 1 96907 112347 65819 56325 1 1 1 99072 1 92026 58932 1 1 30667 1 1 1 1 39432 34886 1 1 1 1 45606 1 1 1 70906 78910 1 1 18269 16749 32980 29117 62256 33631 47258 44228 1 1 34914 1 1 29303 1 38252 40970 40795 1 1 67256 78102 30633 37053 1 1 1 1 1 1 1 1 1 1 1 77605 27425 29236 284.0366 *284.0366* 284.0366@2.5738626 3852 1 1 2621 1 1 1 1 1 1 1 1 1 6376 5077 1 1 1 1 1 3680 1 1 1 1 1 1 1 1 1 1 1 2396 1 1 1 1 1 2708 1 1 1 4486 1 1 1 1 1 1 1 1 1 1 3955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5333 1 1 1 1 1 10470 1 1 8298 10758 1 1 1 7292 11210 12468 1 1 284.0366 *284.0367* 284.0367@2.7815192 1 1 1 1 1 1 1 1 1 1 1 1 1 5085 1 1 1 1 1 1 1 1 1 1 1 2426 1 1 1 1 1 1 1 1 1 1 1 1 2930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6616 1 1 1 1 1 1 1 12516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.0367 *284.0372* C13 H16 O S3 12292 11634 11115 10956 7904 9780 12466 12074 12640 12249 12548 12005 10574 13108 14164 12835 14940 15027 13485 13505 14504 15664 15957 13734 11717 7509 13734 14750 1 1 12871 12139 9732 9040 12032 11702 10934 9673 10424 9807 13711 12096 10828 9639 10808 8007 9562 10838 14504 14909 12201 13468 10541 11021 13468 14240 10886 13698 13699 15334 10100 7163 12812 11513 6163 7889 10329 11772 11514 11968 3040 1921 3465 15804 10779 12542 2299 2311 1 1 1 1 1865 3330 3352 1 1 6849 16645 15787 284.0372 *284.0444* 284.0444@2.0757701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2867 3749 1 1 1 1 1 1 1 1 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 1 1 1 3847 1 1 2300 3106 1 1 1 1 1 1 22682 11129 1 1 4709 3461 1 1 1 1 1 5994 284.0444 *284.047* 284.047@2.0696678 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 1 1 1 1 1 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 2327 5090 1 284.047 *284.049* 284.049@2.9331973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5116 5592 1 1 4120 3879 1 9135 1 1 17378 1 1 1 284.049 *284.0493* 284.0493@1.1913496 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.0493 *284.0535* 284.0535@2.9612594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11026 10321 1 1 4836 5538 1 1 1 1 1 1 4272 1 1 6812 1 1 1 1 1 1 1 1 3544 1 1 1 1 1 1 1 14644 1 1 1 1 10403 1 1 284.0535 *284.0591* 284.0591@1.7630011 1 1479 1 1380 1 1 1 1 1 1 1807 2251 1 1 1951 1529 3511 1 1783 1 1 1 1 1 1357 1 1 1794 1 1 1 1 2257 1 1 1 1 1 1 1 1 1 1 1 1734 1594 1 1 1 1 3031 1 1 1 1 1 2119 2001 1 1 1 1 1 1 1 1 1 1 1 1779 1 1 1 1 1 1 2089 2007 1 1 1 1 1 1 1 1 1 1 1 1 284.0591 *284.0624* 284.0624@2.9636114 1 1 1 1501 1114 1 1 1 1 1 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 1 1 1 1 1 1 1 1 3265 1 1 1 1 1 1 1 1 1 1 1 3256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6112 1 284.0624 *284.0638* 284.0638@2.039119 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.0638 *284.0669* GENKWANIN 3821 4191 1 1661 2540 1 6417 1 3177 3213 4698 5990 3137 1 4392 4491 1 2231 5407 6101 3073 3640 1 1 1 1 1 1 1 1 1852 1 1 1 5409 4776 5012 5255 6493 6948 12254 12699 4643 1 3629 1 1 3711 1 1 1 1 9305 9233 1 1 3850 2531 5992 9324 18517 19890 1 3825 6227 1 10379 10420 1 1730 20317 18783 1 1 1 1 12964 12266 20339 20231 14068 14462 1 10153 18657 20420 1 1 1 3632 C10046 284.0669 *284.0691* 284.0691@2.0140564 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 1371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10607 1 1 1 1 1 1 1 1 1 1 1 284.0691 *284.0753* Xanthosine 1 1393 1075 3912 2077 1 2556 3923 2622 1 3023 3703 1 1666 1144 3520 2993 2257 2292 2101 3539 1 1 3047 1 2235 3283 1 2979 1642 3103 1 1539 1 4632 3533 4273 4304 2816 3644 2563 1 2236 2496 2746 2566 4473 4079 2497 1 1 1437 6460 3868 4524 4184 2434 2644 6825 5246 2999 4253 5385 4901 4649 3751 1 4218 2788 1 3142 1 2878 1 1 1 1 2952 1 7681 3285 3133 1 2631 5582 4099 2897 2474 1 2182 HMDB00299 C01762 284.0753 *284.077* 284.077@2.001935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 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 1 284.077 *284.1113* 284.1113@1.2032737 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.1113 *284.1172* C16 H16 N2 O3 1 1 1045 1038 1018 1102 1 1 1 1054 1 1 1 1 1 1 1 1 1422 1 1239 1 1 1591 1 1 1 1 1 1 1322 1331 1 1 1 1 1057 1 1 1 1 1537 1 1 1 1 1067 1344 1 1 1033 1 1734 1 1 1 1 1 1 1 29046 28223 5157 5215 5961 5351 12443 11833 10282 10482 7797 8172 1026 1348 1 1342 11624 11840 6854 6771 16479 16783 2866 3491 8941 8962 8276 6816 22430 22497 284.1172 *284.1225* 284.1225@1.187778 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 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 1 1 1 284.1225 *284.1319* 284.1319@1.635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2580 1 1 1 1 1 1 1 1 1 1 284.1319 *284.1429* 284.1429@0.996853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1772 2100 2989 2525 1 1 1286 1361 1 1 1 1 1 1 1 1225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1403 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 1 284.1429 *284.1945* 284.1945@1.1079552 1 1 1 1 1064 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.1945 *284.2667* 284.2667@1.1895117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1882 1581 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 1 284.2667 *284.27* Stearic acid 8699 9179 7567 6338 9447 9159 10745 10544 9559 10119 14716 14002 8524 7863 11198 11028 16984 16430 10278 10503 12408 11252 9304 9777 10228 9673 10654 10862 12020 13037 12323 12736 11450 13461 12346 11925 13534 13366 12612 13487 11974 11165 9892 9527 9770 9877 10451 9362 11422 12311 15490 15059 11471 12881 13660 13926 15192 14095 17291 16065 14521 13921 13764 13001 15146 14823 16958 16062 14309 14835 20107 21168 11870 11952 9896 10407 13718 14189 15698 17251 15268 15492 18399 19351 13934 14716 14686 15129 10125 8963 HMDB00827 C01530 284.27 *284.27* 284.27@1.6305574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40963 39324 1 1 1 1 1 1 1 1 1 1 284.27 *284.2702* Stearic acid - 1.975433 18130 18296 46337 48214 37335 40098 42165 40731 22613 19519 57564 54580 13962 14273 15344 15058 18229 17537 23482 22662 30708 29566 16340 16505 38936 37923 77070 82150 26814 31808 34049 33792 17912 18221 35628 34557 20877 21045 29324 31530 21188 17909 20920 21050 26573 23528 51804 52934 39330 37021 22197 19980 13321 12267 37926 38339 27790 32129 24552 22491 36708 34747 46360 43572 32442 30091 98553 94687 44591 45727 20292 20036 43336 43384 20945 33051 20262 22336 19467 18459 24222 28928 28705 28457 38403 32756 40989 41078 11514 10178 HMDB00827 C01530 284.2702 *284.9635* 284.9635@1.0948524 1 1 1 1 1 1 13059 13045 1 1 22088 21580 1 1 4208 4593 1 1 1 1 16611 16495 1 1 1 1 1 1 1 1 36982 36763 15111 13624 14317 15376 13051 12968 1 1 1 1 1 1 1 1 3528 3974 1 1 24664 25280 11717 11239 3679 3845 1 1 1 1 25729 26134 1 1 3701 3561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4797 4917 34019 35128 1 1 1 1 284.9635 *285.0396* 285.0396@2.3745296 1 1 11506 1 1 1 1 1 1 1 1 1 1 1 1 10421 1 1 2218 1 1 1 1 1 1 1 14547 1 1 1 1 1 8351 1 1 1 1 1 1 1 1 14004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.0396 *285.0521* 285.0521@0.7183911 1 1 1 1 1 1 2391 2204 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.0521 *285.0549* C16 H12 Cl N O2 1 1 1 1 2478 2357 1 2631 1 1 1 1 1 1 1 1 1 1 1 1 3147 3287 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 4715 4187 1708 1 1 1 1 1 1 1 3324 3519 1 1 1705 1 1 1 1 1 4358 4513 1 1 1651 1 3688 3630 7964 8086 4046 4216 3548 3901 1 4039 3241 2645 4728 4970 285.0549 *285.0846* 285.0846@2.2132537 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 1557 1 2096 1 1 1 1 1 1 1 1 1 1 1 2388 1 1 1 1 1 2529 1 1 1 1 1 1 6729 7272 1 1 1 1 1 1 1 1 1 1 285.0846 *285.0942* C17 H16 Cl N O 6319 6692 7776 8396 6582 6146 6024 6384 6732 8100 6970 11198 2264 4474 5095 5577 8361 5824 2424 9285 11337 13233 10551 9915 1 1 6226 4931 3493 3321 6546 7073 9003 14215 6922 4825 6889 6146 4451 3496 6004 5340 3095 3452 1 2291 5324 4982 9534 13844 6402 5129 6675 4735 4479 4501 3543 4179 4134 1 1 1 7133 7621 2832 1 18898 13816 5687 4866 12069 1 3872 2135 7146 7695 2620 2872 1 1 9868 7604 3503 3478 9212 10254 1996 5535 1 1 285.0942 *285.0947* 285.0947@2.2141993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3343 7109 1 1 1 1 1769 1 1 1 1 1 1 1 1 3867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2574 1 1 1 1 1 1 1 1 1 1 2554 1 1 1 1 1 285.0947 *285.1583* 285.1583@1.0376256 1 1 1 1 1 1 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 1359 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 1 285.1583 *286.035* 286.035@1.449505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 286.035 *286.0381* 286.0381@2.3890471 1 6509 1 1 1 1 1 1 1 1 6495 1 6073 1 1753 3181 1 1 1 1 1 3043 1885 1 3938 1 6288 1 1110 1 1 1 1 1 5321 1 1 1 1319 1 1 4397 1 1 1 1 1 1598 1 1 3089 2424 1 1 1 2007 1 1 1 1 1 1 1 1 3548 2574 1 1 1 1 1 1 9928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4796 1 1 286.0381 *286.0389* 286.0389@2.354392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1975 2099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.0389 *286.0453* 286.0453@2.471219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 2556 1 1 1 286.0453 *286.0466* 286.0466@3.0281563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 286.0466 *286.0486* 286.0486@0.7177219 1 1 1 1 1 1 10922 10557 1 1 1 1 1 1 1 1 4910 4241 4215 3644 5462 5929 1897 1957 1 1 1 1 1 1 1 1 1 1 1 1 3892 3976 1 1 1 1 1 1 1 1 1 1 3767 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 1 286.0486 *286.0499* 286.0499@1.1658436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 286.0499 *286.0503* 286.0503@2.4843683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2130 1 1 1 1 1 1 1 1 6153 5567 1 1 1 1 3254 2957 7760 9248 5634 6682 3583 3929 7909 7309 1 1 1 1 286.0503 *286.0519* Oxazepam 3959 4124 5034 4897 11121 11483 10823 11407 5024 5036 5373 5947 4483 4070 4030 4345 7540 8762 6235 6378 17792 18017 7069 8023 4598 4724 8894 7662 4146 4857 5113 4559 3081 3657 6647 6515 5294 5948 5840 5850 5678 6593 4159 5450 2236 2779 7844 8578 5730 4878 17985 16514 8276 8603 7071 1 5968 6681 6911 6935 14763 16402 5893 5238 10750 12867 10465 10179 6138 5766 23600 23976 6953 6633 8721 8349 16589 14320 38124 33179 21938 20109 16107 12235 18686 21708 15450 17213 22536 24193 C07359 286.0519 *286.0519* 286.0519@3.324673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 4464 1 1 1 1 1 1 286.0519 *286.0871* 286.0871@1.0523182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 286.0871 *286.119* 286.119@0.78353554 1 1 1 1 1 1 1 1367 1 1168 1 1 1800 1566 1 1 1 1 1353 1397 2167 2788 1939 1 1 1 1757 1 2053 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 2011 2280 1 1 2039 1835 1 1 1 1 1 1 286.119 *286.1359* 286.1359@1.1890526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1702 286.1359 *286.2059* 286.2059@1.1029105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1393 1 1 1 1 1 1 1 1 1 1 286.2059 *286.9608* 286.9608@1.0949962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1962 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 1465 1494 1 1 1 1 1 1 1439 1289 1 1 1 1 1 1 1 1 1576 1589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2244 1819 1 1 1 1 1 1 286.9608 *286.9723* 286.9723@1.9805392 1 1 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 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 1 286.9723 *286.9785* 286.9785@1.9708912 1 1 1 1 1 1 1 1 1 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 1 1 1614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1366 1285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.9785 *287.018* 287.018@1.5220842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1314 1917 1641 1 1 1 1 1 1 1 1 1 1 287.018 *287.0211* Clonidine Metabolite 3 - 3.0479238 1 1 1822 1 1501 1345 1289 1419 1 1 1 1 1 1 1 1 1614 1 1 2290 1484 1 3310 2763 2255 2011 2366 2342 1 1 1 1 1 1 1 1 1954 1986 2442 2096 1 1 1 1 1 1 1810 1 2645 2867 1549 1488 1 1 1 1 1705 1977 1633 1892 5643 5588 1 2414 1458 1283 1900 1861 1 1 1 1 2951 1 1 1935 1 1268 1 1 1 1 1 1 1 1 1 1 1012 1129 287.0211 *287.0604* 287.0604@3.173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 287.0604 *287.0671* 287.0671@3.1176493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3841 3391 1 1 1 1 2606 2301 1 1 3069 3463 1 1 3767 3743 3438 1 3090 2966 287.0671 *287.0795* Carboxyltolmetin 1 1 1 1 1 1 1 1211 1 1 1 1 1 1 1 1 1 1623 1 1 2330 2203 1 1 1 1 1852 1888 1 1 1827 2314 1913 1 1194 1 1 1 1 1 1783 1 1 1 1 1 1 1 2690 1 2283 2652 1626 1 1 1 1 1 1 1 2229 2095 1 1783 1983 2111 1 5769 1 1 1 2435 1 1 1 1 1 1 3619 3189 1 2341 2301 2319 3040 2483 2934 2929 1929 2182 287.0795 *287.0819* 287.0819@0.84747875 1 1 1 1 1 1 1 1 1 1 1 1 1968 1586 1 1 1 1 3721 3179 1 1 2678 1 1 1 2197 2139 1 1135 1 1 1 1 1 1 1 1 1874 1924 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 2067 1987 1 1 1 1 1 1 1 1 1 1386 287.0819 *287.9194* C6 H6 Cl2 N2 O3 S2 1 1 1 1598 1 1 1686 2610 1268 1333 3676 1573 1 1 1 1 1 2739 1 1 1 1 1463 1428 1 2232 4643 3595 1 3017 1 2281 3403 1 4195 1 2784 1 1757 2340 4882 2217 3264 2672 2177 2382 2947 4079 1 5185 2013 1 4017 1 1 1861 1 2749 4730 2293 3561 3610 4414 3025 4707 1 1 2367 5190 2856 7159 2232 4778 1305 3968 5497 5582 4269 6826 6366 5920 6876 6525 6555 5159 1 5293 4146 3318 3305 287.9194 *287.9207* 287.9207@4.134711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.9207 *287.922* 287.922@4.0121794 1 1 1 1 1 1 1 1336 2602 2883 1 1 1 1 1 1 1 3286 1 1 1 1 1 2211 1 1 1 1 1 1 1 3285 1 1 1 1 1 1 1 1 2835 1 2359 1 1 1 1 4090 1 2883 1 1 1 1 1 1 1 1 3428 2678 1780 1 1 1 2141 1 1 2377 1 1 1 1 2085 1858 2249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2237 287.922 *287.977* 287.977@1.9798506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.977 *287.9782* 287.9782@1.9710187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1206 1042 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 1703 1535 1431 1387 1 1 1 1522 1 1 1 1 1 1 1 1 1 1 1587 2249 1 1 1 1 1 1 1 1 1 1 1 1 1103 1 1 1 1 1 1294 1 1 1 287.9782 *287.9918* 287.9918@1.9775336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1609 1701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.9918 *288.0305* 288.0305@0.732311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2767 2993 1 1 1 1 2050 1977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.0305 *288.0456* 288.0456@1.2855532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 288.0456 *288.0508* 288.0508@1.0976105 1 1 1 1 1 1 1 1 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 1813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.0508 *288.0626* 288.0626@3.215316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 288.0626 *288.065* Dihydrokaempferol 1 1 1 1 2238 2850 1 1 1 1 1 1 1 1 1 1 1 1 3785 3538 3965 4354 1 2182 1 1 8064 8432 1 1 1 1 2502 3005 2830 3251 4072 4717 8521 9078 1 1 1984 1896 1 1 1 1 1 1 7785 7806 3782 3345 1 1 5202 6030 6042 6020 6193 7545 1 1 9574 9108 4429 5153 2095 2082 16030 16126 1 1 4157 4277 13739 12207 21224 23590 8247 15332 12970 12594 13474 19219 16063 10911 16524 7175 C00974 288.065 *288.0652* 288.0652@0.71964806 1 1 1 1 1 1 2098 1744 1 1 1 1 1 1 1 1 1 1 1174 1 2449 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 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 1 288.0652 *288.0653* 288.0653@3.1176794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6641 1 1 1 6542 1 1 3762 1 6796 288.0653 *288.0766* C11 H16 N2 O5 S 4005 4019 6050 5774 3193 3443 7345 6718 4329 4334 7674 7293 4666 4830 5053 5242 8543 8609 8944 8789 10627 10983 5750 6084 3618 3643 9320 9707 5339 5127 8624 9217 8050 8438 5599 5431 1 5969 5654 4978 8351 8447 4350 4108 3675 3804 5531 5158 12475 12955 11082 11002 6905 7400 5618 5966 5472 5764 5256 4796 9822 9990 9304 8453 8950 8393 27732 25436 8216 7849 11520 11035 5829 5395 5454 5970 7737 8160 14423 13194 11228 11500 8924 10497 13093 12119 13935 14514 10187 10069 288.0766 *288.0812* 288.0812@2.0708566 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 6125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.0812 *288.0915* 288.0915@4.204606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28088 28292 1 1 1 1 1 1 1 1 1 1 1 1 288.0915 *288.1543* 288.1543@1.8194219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1732 1 1 1 1 1 1 1 1 1 1 288.1543 *288.842* 288.842@0.7581826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4087 4168 1 1 9771 9760 1 1 1 1 1 1 1 1 1 1 1 1102 1 1020 1 1 288.842 *288.978* 288.978@0.8397667 1 1 1 1 1 1193 2764 2760 1 1 1 1 2943 2720 1 1 3351 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 3789 1 1 1 1 1 1 1 1 1 3799 4057 1 1 1 1 1 1 1 1 1 1 4212 4062 288.978 *288.9964* 288.9964@3.1400747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2695 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 2101 1 1 1 1 1 1 1 1 3062 1 3114 1 1 1 1 3974 1 1 1 1 1 1 1 1 1 1 1 1 4487 4645 1 1 1 3297 3604 1 1 6729 2369 288.9964 *288.9985* 288.9985@3.1379938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 288.9985 *289.048* 289.048@0.7579692 1 1 1 1 1 1 1 1 1 1 1 1 1770 2084 1 1 1 1 1973 1936 2433 2234 1 1 1 1 3231 3435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2807 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 2468 2749 1705 1 1751 1 1 1 2044 2433 2167 1493 289.048 *289.062* 289.062@1.9537824 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 289.062 *289.0821* 289.0821@2.146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3099 1 1 1 1 1 1 1 1 1 1 289.0821 *289.9153* 289.9153@4.141629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 289.9153 *289.9922* 289.9922@3.2852004 1 1 1 1 1 1 1113 1 1 1 1 1 3058 1 1 1 1 1 1 1 1 3917 1 1 1275 1 1 1 1 1 1855 1 1294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2650 3401 10725 1 1 1 1 1 1 1 1 1 1 1 2906 2372 1 1 1 1 1 1 4588 1 1 1 1 1 1 1 1 3506 8799 1 12746 1 1 1 1 1515 1 1 289.9922 *289.9923* C11 H14 O S4 1 1 1 4817 3251 1 5057 3596 1 1 1 1 1 1 1 1 8739 6956 5835 2718 8646 3739 1 1 2933 1 1 6150 1 1 1 2773 2222 1 1 1 1 1 10408 9856 1 1 4648 6671 1 1 1 1 3807 5167 3794 12293 2652 6298 1 1 13188 13052 10435 10480 11373 11258 1 1 15189 6249 14279 15503 3685 1 3760 9049 3371 3854 7671 7369 16150 12427 18389 17645 8431 14874 6885 9303 13100 13567 1 11850 24882 19835 289.9923 *289.9925* 289.9925@3.1610503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10200 1 1 289.9925 *290.043* 290.043@1.0290111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1873 2123 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 1 290.043 *290.0441* C15 H6 N4 O3 2135 2119 4264 4299 4183 4429 4401 3543 2152 2140 3936 4229 8745 8352 1734 1723 1 1 8721 8017 10723 11366 4877 4894 5503 5194 16651 17939 5489 5352 2860 3077 3995 3568 2830 3158 1 1 5644 5654 4250 5051 3497 4187 4408 4290 1602 1833 1 1 12021 10991 4153 4525 3571 4000 6551 6279 2063 1913 2575 2576 2243 2445 4115 3937 6269 7563 3538 3782 2647 2657 1940 1 2069 2166 4014 6944 11892 11693 7626 8928 7475 8519 6626 7065 10766 12091 11550 10286 290.0441 *290.0441* 290.0441@0.81265396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 290.0441 *290.0513* 290.0513@1.9716659 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.0513 *290.0706* 290.0706@1.9564465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.0706 *290.0744* 290.0744@1.694781 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2507 1 1 1 290.0744 *290.0768* 290.0768@2.8615804 1 1 1 1 1734 1816 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 3726 3494 1 1 1 1 1 1 1 1 1 1 3167 2860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2154 1706 1 1 3400 3242 1 1 1 1 290.0768 *290.0787* 290.0787@1.9482911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2359 1 1 1 1 1 1 1 1 290.0787 *290.0852* 290.0852@1.9551369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3489 1 1 1 1 1 1 1 1 1 1 290.0852 *290.0852* 290.0852@2.1132138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5459 5426 1 1 1 1 1 1 1 1 1 1 290.0852 *290.0905* 290.0905@1.9586445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 290.0905 *290.1284* 290.1284@1.1230891 1 1 1 1 1 1 1 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 1015 1029 1 1115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1055 1168 1339 1436 1 1 1 1 1 1 1 1 1 1 1 1063 1057 1 1123 1355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1038 1248 1327 290.1284 *290.13* 290.13@1.1238018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 290.13 *290.1384* 290.1384@1.1242535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 290.1384 *290.1587* 290.1587@1.1167217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.1587 *290.166* 290.166@1.1223546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 290.166 *290.1718* 290.1718@1.1203799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12073 13670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.1718 *290.9749* 290.9749@0.8394769 1 1 1 1 1 1 1 1231 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 1420 1522 1 1 1 1 1 1 1 1 1413 1 1 1 1 1 1 1 1 1 1 1 1 1687 290.9749 *290.993* 290.993@3.112474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4184 1 1 1 290.993 *291.0756* 291.0756@1.6509006 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 1 1 1 1 1 1 1 1 1 1 1 291.0756 *291.0984* 291.0984@2.9752557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1597 1 1 1 1 1 1932 1 1 1 1 2276 2013 1 1 1443 1679 2735 2493 2214 2449 3402 2703 3140 3080 291.0984 *291.1459* 291.1459@0.7775574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2553 2993 1 1 1 1 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 4769 1 1 1 1 1 1 291.1459 *292.0269* 292.0269@0.79 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 292.0269 *292.0446* 292.0446@1.8848789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2304 1 1 1 1 1 1 1 1 1 1 292.0446 *292.0763* 292.0763@1.0501662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 292.0763 *292.089* 292.089@1.7830218 1 1 1 1 1 1 1 1 1 1 1 1 1 7722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.089 *292.0922* 292.0922@3.042496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9220 1 1 1 1 1 1 1 1 4592 8557 1 1 1 2281 3224 3373 1 1 1 1 1 1 2292 1 1 1 1721 2332 1 1 1 2073 1 1 1430 1472 1 1 292.0922 *292.0956* 292.0956@2.9765813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 10334 1 1 1 1 1 3190 4736 1 1 1 1 1 1 8412 7329 1 1 1 1 6211 10082 1 1 1 3042 12034 12721 1 1918 10646 16032 12019 10637 14983 13352 14940 12521 17448 17802 292.0956 *292.1139* 292.1139@1.6920267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 292.1139 *292.1628* 292.1628@1.1224153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1974 1 292.1628 *292.1661* C17 H24 O4 1 1 1 1144 1906 1635 1 1 2024 2056 1497 1 1 1768 1924 1897 1 1 1984 1940 1 1385 2340 2311 1978 1 1418 1162 1858 1312 3763 3743 3234 3139 2849 3036 2130 1940 2840 3332 2787 1667 1804 2389 3178 3140 2114 2661 2323 2679 3086 3583 3065 3157 4649 2941 2174 1 1970 2863 3206 3004 1779 1 2755 2903 1621 1965 2885 2994 2868 2525 1619 1700 2271 2239 2670 2500 4842 4530 3785 3815 1623 1394 2018 1970 2563 2576 1884 3667 292.1661 *293.084* 293.084@2.0794718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 293.084 *293.0868* 293.0868@5.83093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1080 1 1 1 1 1 1 1 1 1 1 1113 1003 1557 1464 1 1194 1 1 1 1 1732 1851 1 1 293.0868 *293.1025* 293.1025@2.025549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 293.1025 *293.1094* 293.1094@1.4527389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 293.1094 *293.1149* 7-Acetamidonitrazepam 1285 1 1 1 1 1 1304 1 1 1 1 1 1 1 1 1 2070 1817 1 1 1 1215 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 1666 2018 1942 2017 1479 1 1 1 2206 1924 2532 3040 1662 1669 1752 1961 1 1 1 1 2778 3251 1 1 1239 1 1845 1869 1 1 2294 2624 1564 1367 1837 1416 1 1 2895 2378 293.1149 *293.1736* Lys Phe 1 1 1 1 1 1 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 1970 1701 1872 1308 1579 1305 1128 1877 1621 1523 1344 1731 1587 2390 2322 1828 2143 2052 2355 1980 1535 2084 1921 1383 1561 1556 1735 1378 1414 1896 2113 2657 2850 2240 2069 3826 2077 1902 1993 2342 5626 2543 2625 2893 2669 2979 3078 3461 3091 2468 2894 5200 5742 3759 3183 4463 2445 2851 2737 293.1736 *293.9927* 293.9927@5.695742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 293.9927 *294.0168* C7 H15 Cl O8 S 25730 22343 21006 1 23103 23950 21532 13916 18835 12033 26524 27591 1 11063 19546 1 24341 21962 15527 23701 21025 10469 22477 24415 20955 1 1 20190 20177 17484 9236 20276 23207 18971 23965 19833 26180 24118 24237 25841 26377 27032 20474 21138 16381 22751 25127 20825 17524 22953 10890 14175 19615 6734 25382 25459 19425 18228 23524 22718 21623 25792 19365 23054 24006 1 26199 22153 14278 19770 27697 14791 14148 24467 21658 1 16431 17346 2557 6221 24232 18248 13520 10515 27174 23144 23475 19010 21554 24168 294.0168 *294.0168* C7 H15 Cl O8 S - 2.809446 9741 4582 11992 11003 6288 8289 3794 9252 7250 11243 8703 8049 8100 10865 5052 8469 11901 15507 7084 7626 4864 6749 13554 6436 4773 19501 5166 4652 6453 3866 2929 12642 10432 11651 12699 13000 6072 5537 12626 10608 9528 8747 4953 8921 9968 4765 2994 7671 5073 4785 4840 5340 3559 1 1 3895 8741 11256 14668 10710 2074 8718 9928 9737 10177 1 1 1648 5541 9675 1 5530 13392 9888 10639 1 6775 5672 29317 24401 10200 1 5411 2857 1 15080 5908 7782 2963 9433 294.0168 *294.0174* 294.0174@2.8433828 1 5964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4693 1 1 1 1 1 1 1 1 10607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5787 1523 1 1 1 1 1 1 1 1 1 1 1 1 2056 1 1 1 1 1 1 8306 1 1 1 1 1 6625 1 1 1 1 6866 3663 1 1 1 1 9681 1 294.0174 *294.0177* 294.0177@2.8393016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 294.0177 *294.0204* 294.0204@4.05698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2444 1091 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 1 294.0204 *294.0321* 294.0321@3.181214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6641 8705 1 1 1 1 1 1 1 3321 1 1 1 1 1 1 1 1124 1 1 294.0321 *294.0335* 294.0335@2.8587236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11061 10023 1 1 1 1 1 1 1 1 1 1 294.0335 *294.0359* 294.0359@1.9589953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 294.0359 *294.0405* 294.0405@1.0386367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 294.0405 *294.0427* 294.0427@2.9531684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15681 16062 1 1 1 1 1 1 1 1 1 1 294.0427 *294.0493* 294.0493@2.9680176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6707 1 1 294.0493 *294.0501* 294.0501@3.0253377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 294.0501 *294.0559* 294.0559@2.9774814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1052 1 1 1 294.0559 *294.0604* C13 H20 Cl2 O S 3167 3568 2661 1 2446 2378 4234 4509 4099 2301 3336 3367 2988 2827 3733 3631 6814 6755 2811 2882 4547 3901 4612 4085 4372 4263 2653 1 5271 4991 3702 3509 2232 1 1 4405 2725 3095 2326 1 11619 11966 3329 1 3047 2596 4814 1 4952 5589 5892 7025 6794 6632 7185 9785 3802 3872 8984 13012 4045 4503 12630 8904 5352 5380 12854 13372 3159 3162 5910 6576 9208 9427 10546 11246 1 2545 14550 10085 7877 5885 5534 6346 3534 3274 6502 4263 8385 8417 294.0604 *294.0605* 294.0605@1.4443839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2754 1 1 1 1 1088 1 1 1 1 1 1 1 1 1 1 294.0605 *294.0613* 294.0613@1.5805366 1 1 1 1 1 1 1 1 1 1756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4500 1 1 1 1 1 1 1 1 1 1 294.0613 *294.0614* 294.0614@1.4308646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2229 1 1 1 1 1 1 1 2015 1316 1 2454 2392 1 1 1 1 2373 1 1 1 1985 1 1 1 6225 5853 1 1 1 1 1 1 1 2555 1 1 3650 2344 1 1905 1 1 1 1 1 1 1 1 294.0614 *294.0636* 294.0636@2.9493532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 294.0636 *294.07* Asp Asp 2507 2643 2852 2472 1 1 3205 3187 1 1990 1 1 1 1 1861 1 3176 3509 1 1 3472 2450 1996 2488 1906 1845 1 1250 1 1611 2506 2763 2161 1581 3230 3428 2558 2967 1 1 4100 3710 1 1 1658 1 2630 2747 2812 2505 3706 4000 2591 3445 5005 4298 3877 4423 3745 3677 1 2242 4054 4100 1 1 3466 4329 3731 3554 1 5956 2749 2980 4062 3053 1 1 1 1 1 1 7086 6052 1 1 1 1 1 1 294.07 *294.0763* 294.0763@1.9796145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 294.0763 *294.0764* 294.0764@2.0190594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5179 3460 1 1 1142 1345 1 1 1 1 1 1045 294.0764 *294.0778* 294.0778@2.9795623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4999 4151 1 1 1 1 1 1 1 1 1 2244 4452 4780 1 1 5692 1 1 1 6696 5626 1 1 1 1 294.0778 *294.0793* 294.0793@3.0223732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4036 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 2627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.0793 *294.1007* 294.1007@1.9413204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1920 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 1560 294.1007 *294.1107* C12 H10 N10 4295 4277 1 2438 1 1 3421 3787 3903 4073 2398 2245 3310 3008 3380 3867 6060 7477 2845 3351 3986 4718 4020 4422 2735 2997 2631 2012 2578 1891 2887 2987 1 1 2927 2926 4349 4249 2584 2367 5023 4859 1 1141 2384 2295 4094 3871 4757 4310 6969 6967 8086 1278 6529 5868 2685 2138 7077 1247 2382 10168 1323 6202 1772 1994 5767 5587 3202 3419 11489 2122 1 2811 4716 3825 7551 6467 10161 9288 9374 8509 6342 6714 6403 6910 4756 4236 10319 10143 294.1107 *294.1107* 294.1107@2.0166752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8007 1 1 1 1 1 8491 9574 1 6284 1 7040 8139 1 1 1 1 1 12186 1 1 1 1 1 1 1 1 1 1 1 1 1518 1 1 1 1 1 294.1107 *294.181* 294.181@2.0282462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.181 *294.1815* 294.1815@1.1841822 1 1 1 1 1 1 1 1 1 1 1 1 1 3359 1 1 1 4233 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 2403 2495 1 1 1 1 1 1 2503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3637 294.1815 *294.1816* 294.1816@4.0364094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2209 1 1 1 1 1 1 1 1 2447 1 1 1 3857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1816 *294.1818* Embelin 11709 1 1 10767 1 1 10589 8640 1 1 1 1 1 1 10083 4159 11726 10508 1 7097 1 1 1 1 1 1 1 1 11263 1 12188 9341 1 10291 1 1 9051 6005 1 1 12566 1 1 8088 1 11845 10664 12012 6002 1 8998 9009 10745 6618 6586 10955 13003 13880 5302 8347 13203 14522 1 13058 11846 11567 12086 8393 11212 4615 8082 13366 1 12777 10710 5079 6361 1 9163 13544 9634 11891 13973 1 1 11711 1 12991 1 13199 294.1818 *294.1818* 294.1818@3.0182357 1 1 6397 1 1 1 1 1 1 1 1 1 1 1 1 2662 1 13108 1 1 9381 2626 1 1 1 1 1 1 9211 1 6182 1 1 1 1 5005 1 1 2711 1 1 10657 1 1 1 1 10882 1 15374 1 1 5561 1 1 11231 7414 1 1 1 1 1 1 10848 1 3195 1 1 10611 1 1 6007 1 4141 7708 1 3519 1 1 5521 5499 1 3884 4114 1 2163 1 1 1 4816 1 294.1818 *294.1819* Embelin - 0.9982194 8999 9433 8857 9356 7512 8304 9662 8015 10146 8894 10716 1 77225 8746 8638 8452 8846 8530 9952 6703 14732 14285 21089 27245 10313 7901 8021 7651 11542 11427 56183 53653 24647 24223 37241 32873 26146 28853 6645 5790 27974 27676 1 1 4639 1 7719 1 8630 6553 26857 25513 57209 56584 9328 12266 9286 12867 5542 6331 7610 1 1 6164 8666 7372 12124 11060 17831 23059 1 5534 9310 11031 11250 11454 1 6233 27432 26706 28606 30312 18337 23283 7230 1 24036 23591 26254 28699 294.1819 *294.1819* 294.1819@1.5748173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 52600 52431 1 1 1 1 1 1 1 1 1 1 294.1819 *294.182* Embelin - 1.1001831 40870 41541 46110 44919 57069 59284 73882 75205 54137 57802 54564 56771 3959 78802 68791 66878 62904 62545 83061 81630 72030 71775 92842 84671 62034 64301 49611 46990 67827 66218 101082 106631 99775 102732 90156 90342 66711 69034 94112 92118 92154 93992 66799 66270 60363 63796 63818 58828 115069 115402 98984 97952 147646 145726 72748 72884 68463 66558 57558 56724 113500 112249 53450 55662 73105 68764 57985 58886 66989 61584 54754 50813 51808 49531 53727 51576 69658 69149 103270 104270 59960 61159 84931 88620 44373 45168 69360 71614 54358 54363 294.182 *294.1821* Embelin - 1.2925849 8115 1 3958 6172 3527 1 7906 7954 1 8043 6596 1 6751 10232 8656 4788 4435 5777 1 5743 1 1 1 1 5212 1 1 1 1 10236 6537 1 8536 9480 6731 8166 8424 9488 6542 6351 11116 7545 5837 1 10073 7849 1 7167 6988 1 9077 6372 14448 11041 1 1 1 8124 1 3594 1 1 1 6866 8212 1 7480 6905 1 6817 6794 8586 9714 1 8813 11429 6091 1 1 1 3384 3488 6447 7005 1 7443 7475 1 3416 2436 294.1821 *294.1822* Embelin - 1.9750104 22457 19770 29219 29705 26771 29821 27018 31848 23891 22725 33758 29973 19252 21783 19848 19840 24682 24164 22519 24209 27283 27906 22913 20392 26673 28657 36665 36345 23173 27353 26208 25902 19971 20162 27915 27547 24262 23242 24113 25070 23902 25348 22249 23079 20009 23361 31030 31285 28437 28844 26391 26044 18376 21906 26716 27697 24274 24614 30549 24389 29586 30382 31678 32479 29054 26106 41017 44543 29607 26991 26707 25959 30543 32201 23823 30703 23930 22483 33293 25999 26042 30619 28961 27217 29173 27964 27945 30802 22695 20017 294.1822 *294.1823* 294.1823@2.9343972 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1823 *294.1828* Embelin - 0.8153355 7670 6199 8499 5232 7112 8865 10277 8483 8973 10563 8289 8181 1 8073 8148 7227 6447 7057 9628 7712 10430 9966 7391 7602 6639 10047 16718 15297 10491 10281 11666 9278 9149 9497 9165 8260 6937 6840 8685 11351 13016 14453 1 6659 7100 7871 8899 8159 7086 4422 8260 7241 6792 9130 8288 8658 11295 11032 54535 56422 9113 9810 17750 18556 20486 17444 7576 6841 10292 9244 7424 8548 7038 9067 8716 6982 7831 7646 14967 13060 10848 9929 16981 17755 16821 16452 13102 10881 8546 8922 294.1828 *294.1829* 294.1829@2.9867446 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 1 294.1829 *295.0371* C6 H16 Cl3 N5 O2 1 1 1 1 1 1 1809 1249 1 1 1 1 1 1159 1 1 1 1 1870 1914 1580 1511 1656 1922 1 1 2315 2430 2512 2478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2387 2940 2549 1 1 2158 2143 1 1 1 1 1 1 1 1 1 1 2795 2774 1 1 1 1 1 1 1 1 1 1 1 1 2279 1930 2573 2091 1 1 1734 2243 1928 2133 295.0371 *295.0461* 295.0461@1.9593236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1497 1 1 1 1 1 1 1 1 1 1 295.0461 *295.1111* 295.1111@1.0359553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1487 1 1 1 1 1 1 1 1 1 1 295.1111 *295.1501* 295.1501@0.74908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 295.1501 *295.1851* 295.1851@0.9862402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 295.1851 *296.014* 296.014@2.6870036 1 1 1 3915 1 1 3293 5409 1 1 1 1 1 6592 1 1 1 1 1 1 1034 7691 1 2843 1881 5448 1 1398 1 1 1 1 1 1 1 1 1 2784 1 1 1 1 1 1 1 1 1 1 1 1270 6085 6984 1 1 1 1 1 1 1 2507 1 1 1 1 1 3116 1 1 5270 1 1 1 4161 1 1 1 4079 1 1 1 1 1 1 6221 1 1 1 1 1 1 296.014 *296.0144* C16 H8 O4 S 1 1 1 1010 1775 1 2210 1064 2410 1 1 1 1 2084 2697 4642 1 1 2807 1 2345 2346 1 2302 2463 2956 4000 2748 1 1936 4957 1 1 1087 1 1 2601 2108 1 1 1 1 4013 1 5599 3524 1867 2101 2087 3529 3248 2227 1 10454 2179 1989 1 1870 1 1105 1 1744 6027 2028 1 3107 1 3834 4561 1 1 4575 3341 1 4738 10032 2829 1777 1 1 1469 10221 1 4302 2350 1 1 1 1475 3886 296.0144 *296.0149* 296.0149@2.6998394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.0149 *296.0269* 296.0269@1.9765133 1 1 1 1445 1 1 1 1 1467 1 1 1 1 2778 1 1 1 1 1 1 1 1 1 1 1 1 4232 1 1 1 1 1 1644 1236 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.0269 *296.033* C16 H8 O6 1610 1388 1526 1 1503 1374 1 5098 1 1402 3189 1463 3086 1 1447 1 1 1 3349 3635 3242 3512 3542 3832 2139 3383 1 9123 5632 5131 1615 1333 1 1 1548 2052 1 1 1 1490 1 1 1 1 1590 1 1 1 4315 4643 5238 6347 1 1 3505 3631 2753 2641 1 1 1 1 1 1 1 1 1 1 3510 2158 1 1 1 1 1 1 1 1 1 1 1 1 4668 4137 4870 5334 3840 4628 1 1 296.033 *296.0346* 296.0346@0.8152956 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 81899 82848 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 1446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.0346 *296.0353* 296.0353@1.9662462 1 1 1 1 1 1 2332 1 1 1 1 1 1 1 1 1184 3799 2175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1507 1 1 1846 2355 1 1 1 1 1 1 1 1 1 1 1927 3866 1 1 1 1 2323 2598 2474 3104 1123 1 2755 3432 5124 4406 1 1 1888 1 1760 3520 1 1 3181 2651 5910 6106 3887 4160 1 1 1 1 1 1 7113 3547 296.0353 *296.0574* 296.0574@1.5289085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 2783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2268 1 1 1 1 1 1 1 1 1 1 1 1 1 2104 1 1 1 1 1 1 1 1 296.0574 *296.0576* 296.0576@1.5499384 1 1 1 1 1 1 1 1 1644 1827 1 1 1 1 1621 1985 1 2430 1 1 1 1 1 1 1 1 1 2150 1415 1750 1 1974 1 1 1 1 1 1 2088 1 1 1 1 1 2247 1 1 1644 1 1 1 1 1 2604 1 1 1 1956 2909 1 1 1 1 2773 1677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2142 2706 3094 296.0576 *296.0584* 296.0584@2.954166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1873 1834 1 1 1 1 1 1 1 1 1 1 296.0584 *296.0665* 296.0665@3.0244923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2514 1 1 2710 3910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3289 3325 1 1 1 1 1 1 2709 3500 3669 3889 1 1 1 1 2023 2599 1 1 296.0665 *296.0681* 296.0681@1.5169535 1 1 1 1 1 1 1 1 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 2748 1 1 1 1 1728 2169 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 1 296.0681 *296.1527* 296.1527@1.0317035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1488 2740 2172 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.1527 *296.1596* 296.1596@1.0534253 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.1596 *296.1621* 296.1621@1.1661838 1 1861 1753 1518 1778 1851 1887 1753 1750 1834 1806 1732 9069 8308 1833 2006 3100 2511 2377 2110 1643 4607 1769 2054 1978 1 2453 2040 5921 2467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.1621 *296.219* 296.219@1.0687777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1653 1689 1 1 1 1 1 1 296.219 *296.2321* 296.2321@1.0654359 1 1 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 14488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.2321 *296.9633* 296.9633@1.1077894 1 1 1 1 1 1 5473 4025 1 1 16321 16969 1 1 1109 1425 1 1 1 1 4005 5871 1 1 1 1 1 1 1 1 16122 17653 3293 2971 4481 4430 2545 2526 1 1 1 1 1 1 1 1 2460 2762 1 1 7524 5042 5886 5305 3418 3474 1 1 1 1 2467 2164 1 1 1 1321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2134 2559 6108 9545 1 1 1 1 296.9633 *297.0195* 297.0195@1.9786042 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 3367 3215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.0195 *297.022* 297.022@1.9696538 1 1 1 1 1 1 1 1 1 1 1 1 1189 1 1 1 1 1 1445 1312 1415 1419 1398 1551 1 1 1798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2492 2513 2553 2693 1 1 1531 1714 1 1 1 1 1 1 1 1 1 1 1731 2269 1 1 1 1 1 1 1 1 1 1 1 1 1 2079 2190 2281 1 1 1989 1857 1 1 297.022 *297.0315* 297.0315@1.9671615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 297.0315 *297.0528* 297.0528@0.81558585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1833 1 1 1 1 1 1 1 1 1 1 297.0528 *297.0982* 297.0982@3.0941389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3010 1 1 1 1 1 2352 1 1 1 1 1 297.0982 *297.1036* 297.1036@3.096733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.1036 *298.0209* 298.0209@1.9677953 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.0209 *298.0244* 298.0244@1.9713138 1 1 1 1 1 1 1568 1 1 1 1 1 1 1196 1 1 1 1 1596 1735 1 1 1588 1954 1 1 2242 1 1 1 1 1 1 1 1 1 1 1 1 1 1198 1 1 1 1 1 1 1 2502 3213 3624 4414 1 1 1 2123 1 1 1 1 1 1 1 1 1 1 2263 1 1 1 1 1 1 1 1 1 1 1 1 1 2519 2551 2408 1 1 1 2142 2210 1 2139 298.0244 *298.0575* 298.0575@1.1486306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1112 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.0575 *298.0807* 298.0807@1.0991225 1 1 1 1 1 1 1 1 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 4322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.0807 *298.0842* 298.0842@3.0362103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4276 4947 1 1 2215 3059 1 1 2194 2416 2081 1 298.0842 *298.0867* 298.0867@2.9761877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2769 1 298.0867 *298.0876* 298.0876@0.71003103 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.0876 *298.1587* 298.1587@0.7080336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.1587 *298.1588* C16 H26 O3 S - 1.9728531 24299 22951 32301 32415 29842 30095 35125 35798 26140 23693 37310 34583 24953 23153 23387 23485 27365 25574 30723 28713 36817 31999 27646 29179 34090 32671 43289 50591 33356 35916 29582 29050 22682 23364 29549 28274 24028 25515 27031 29112 28708 28343 23346 22996 24729 25768 33671 33623 40804 24941 20129 19279 14943 14128 20691 21909 15499 16573 16995 14753 21613 20418 21868 24111 19591 18168 31926 31597 20285 20036 16201 14733 20192 19921 15060 17043 16329 14446 18445 16609 20274 19941 18061 19777 20287 18330 20718 22093 15639 13505 298.1588 *298.1588* C16 H26 O3 S - 2.8955688 18443 17671 18680 12776 12391 14194 11815 13561 8320 14724 16119 13605 13542 15697 17965 13948 18548 16919 12088 3312 15336 13873 18665 12324 11333 13995 11875 15068 9154 9983 11754 14201 17934 15290 16446 17544 13036 13535 14118 19295 12822 14511 13417 17960 4606 15059 16050 14726 14750 9440 14471 14077 12330 10303 12683 12227 10767 10172 11945 11186 8509 11104 9934 3589 6312 11440 12535 12753 9266 8373 11396 11181 11002 9000 10732 12745 12550 12064 9898 10217 11787 12967 11579 10575 10379 9845 10143 11492 8776 8846 298.1588 *298.1588* C12 H22 N6 O S 6479 9379 1 1 9180 9515 1 1 7303 8052 4014 9045 12345 13398 1 1 5484 4992 1 8577 6696 1 9719 6980 6975 8734 1 1 10165 4650 9547 1 10889 8204 7959 12029 11624 1 7681 1 12244 1 9207 1 7766 1 1 7956 9273 7344 5553 4996 7494 8423 1 1 1 6044 7694 1 1 1 1 4568 1 1 1 6018 1 1 4720 6546 6281 1 9377 8603 1 5489 5339 1 5875 4538 1 3646 5534 7307 1 4640 7388 5007 298.1588 *298.1588* 298.1588@0.66382533 1 1 1 1 1 6674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3921 1 1 1 1 1 1 1 1 1 1 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 2288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4681 298.1588 *298.159* C16 H26 O3 S 29232 29725 23678 25582 17644 18428 50692 50465 24987 26594 47710 47688 61447 2417 95586 95048 147093 152010 17079 16928 2503 68125 17285 18103 28156 29438 53225 54527 63789 64865 21827 24499 18304 18061 13093 14459 20170 21537 18532 18542 33298 31740 14388 15366 66733 69676 12355 12250 17715 16770 47844 48437 23883 23044 26152 27325 23237 21873 21891 22751 21565 21375 48159 46960 21279 21547 13654 14539 18774 19410 15443 13589 11977 11759 12436 16913 15259 14226 21808 19369 11510 20374 25636 24404 18388 16595 11980 12900 26365 26917 298.159 *298.159* C16 H26 O3 S - 2.0880072 23946 17729 9435 26526 23519 25789 29720 13106 17264 22723 18648 23146 14755 26551 17620 16444 21482 15644 20830 16032 21368 9504 20193 21100 28369 26046 19644 7527 22099 24703 21292 19155 22015 22630 23390 27997 20605 20020 18431 16995 22654 26030 22268 14803 19063 24234 21269 32360 21818 10781 9608 10150 10697 10489 12322 10938 11849 12752 12378 14172 5339 7425 15310 1 14499 14641 9683 12046 1 10420 9109 8855 14875 17730 16990 14772 11579 12798 11269 10561 10385 9332 9238 7589 6214 6155 11047 11024 13943 12799 298.159 *298.159* 298.159@2.8757045 1 1 1 1 1 1 1 1 8183 1 1 1 1 1 1 1 1 1 1 12336 1 1 1 6311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10907 1 1 1 3453 1 1 1 1 1 1 1 1 1 1 1 3286 1 1 7659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.159 *298.1592* 298.1592@2.169498 3315 1 15046 1 1 1 1 1 1 1 1 1 1 1 3177 1 5988 1 1 4692 1 16733 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 4833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6743 1 1 1 1 1 1 298.1592 *298.1593* 298.1593@1.1926584 1 1 1 1 5484 4220 1 1 1 5248 1 1 1 1 1 1 1 5661 1 2230 1 1 1 1 2976 1 1 1 1 4616 1 1 2796 4342 1 1 1 1 1 1 1 1 6013 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 1 1 1 1 1908 1 1 1 1 1 1 298.1593 *298.1593* 298.1593@1.0737735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 298.1593 *298.1597* 298.1597@2.6624784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.1597 *298.1601* C11 H27 Cl N4 O S 1 4475 1 1 6204 6200 6207 5321 1 5782 1 7271 6956 62348 1 8673 6905 4072 1 7034 9626 6472 1 6979 7278 5577 1 1 9261 7249 1 2199 7678 9021 5580 7225 6681 1709 1598 10954 7796 9111 6350 1 1 1 5159 1 7394 2525 1 5682 3270 1 2068 1874 1 3277 5714 2412 5003 3257 1 1 3845 4318 1 1 2269 1 3593 1 1 1 1 1 1860 1 1 2636 10351 1 1 5668 1 1 1 1 5195 4000 298.1601 *298.1636* 298.1636@1.5216941 5814 1 1 1 1 1 1 1 1 1 7500 1 1 1 1810 1 1 1 1 7977 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42176 42490 1 1 1 1 1 1 1 1 1 1 298.1636 *298.1661* 298.1661@1.5065392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4295 1 1 1 1 1 4297 1 1 1 1 1 1 1 1 9223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.1661 *298.2066* 298.2066@1.0072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 298.2066 *298.2436* 298.2436@1.9708465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4760 4801 1363 1 1 1 1 1 1 1462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.2436 *298.2453* 298.2453@1.0645995 1 1 1 1222 1 1411 1 1 1291 1367 1674 1 2818 1380 2378 2077 2598 6129 1775 1512 2252 2365 1039 1082 1388 1513 2492 2708 1700 1929 1618 1 1468 1739 1772 1 1 1 1914 1272 2021 1 2671 1553 2076 1573 1 1548 1570 1459 1989 1928 1 1 2779 2464 1924 1577 7753 2553 2558 2281 1858 1471 2428 2657 1419 1 2313 2289 1676 3355 1540 1360 1259 1 3345 3423 2510 3166 1 1949 4812 4514 1565 1343 2002 3288 2034 2026 298.2453 *298.9603* 298.9603@1.108852 1 1 1 1 1 1 1 1596 1 1 1 1 1 1 1 1 1 1 1 1 1748 1 1 1 1 1 1 1 1 1 1 1 1374 1230 1733 2081 1 1 1 1 1 1 1 1 1 1 1 1366 1 1 1 2256 2449 2430 1381 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 2490 1 1 1 1 1 298.9603 *298.9629* C5 H9 N5 O2 S4 9707 9069 8446 8148 8590 8851 7072 6909 9008 8868 7878 8470 6781 6920 7632 8339 6020 5764 8537 8212 8097 8019 8268 8262 9718 8717 7603 7094 6682 6877 8430 8487 7857 8313 8262 7728 8463 8726 8524 8217 8180 8559 8917 8481 7771 7545 9166 8655 8418 8782 7955 8466 9062 9194 9120 8902 9729 9783 9402 9226 10024 9623 9264 9237 9041 9300 6126 5974 8848 8311 9270 8502 10834 9959 9726 10005 7845 7653 4745 4669 8731 9588 9455 9171 9465 9274 9487 9994 6679 6707 298.9629 *299.1454* 299.1454@0.7702961 1 1 1 1 1 1 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 1 299.1454 *299.1456* 299.1456@0.76211655 1 1 1 1 1 1 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 1 1 1 4703 4756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3476 3606 3006 2805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2557 2930 1 1 1 1 1 1 1 1 1 1 1 2262 1 1 1 1 1 1 1 1 299.1456 *299.1619* 299.1619@2.88612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.1619 *299.9481* 299.9481@0.8362922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.9481 *299.9957* 299.9957@2.965167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9552 9960 1 1 1193 1885 1 1 2772 4734 1 1 299.9957 *299.9962* 299.9962@2.8802104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9137 8120 1 1 1 1 1 1 1 1 1 1 299.9962 *300.087* 300.087@1.0665236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8748 9088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.087 *300.1031* 300.1031@3.2338321 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 3917 1 1 1 1 1 1 1 1 1 2522 1 300.1031 *300.1049* C15 H24 S3 2873 1 1579 1883 2108 1 2613 2281 1 3163 3229 2719 1 2739 3406 3136 3330 2572 3419 3453 3103 2714 1 1 1 1 1 1 1 1 1 2218 1 1684 1 1862 2475 2430 1 2613 1 1 2722 2617 1 1 2405 1 1 3142 1 1 1998 1 1866 1 1 2498 2544 1938 1 1 1 1 2546 2876 1 1 1853 1 2191 1674 1 1 1 1 1 1 1 1839 1 1 1 1 1695 1 1 1 3358 3076 300.1049 *300.1112* 300.1112@1.2157191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3539 2596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4590 4028 1 1 1 1 1 1 1 1 300.1112 *300.1308* 300.1308@0.7582327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 300.1308 *300.1428* 300.1428@0.7541426 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 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 1 300.1428 *300.1882* 300.1882@1.141918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 300.1882 *300.2185* 300.2185@1.0978347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 300.2185 *300.2383* 300.2383@1.9833964 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.2383 *300.2617* 9(S)-HODE-d4 1 1 1 1 1579 1556 1 1 1 1 1 1 1 1655 1795 1 1 1945 1 2134 2834 2596 1429 1 1 1 1 1 2555 2987 1413 2422 1 1 1295 1 1485 1279 1 1076 1641 1471 1 1 1 1 1 1 1 1111 1783 1 2393 2192 1809 1987 1 1 2893 2448 1980 1 1 1 2154 1 1 1 2287 2230 1 1 1 1 1 1113 2462 1 2044 2637 2241 1772 2653 1 1110 1 1 1 1 1 300.2617 *300.2624* 300.2624@1.0717014 1 1 3289 3301 1 1 1383 1376 1 1 3236 3122 1110 1 1 1827 2116 1 1872 1 1 1 1 1 3204 3262 3631 3228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1869 1739 6678 6541 1549 1411 1 1 1 1723 1 1 1 1 2176 2373 1 1 1 1 1 1874 1 2008 1 1 1 1 3231 3257 1 1 1 1 1 2572 1 1 1 1 1 2918 1 1 1 1 1 1 300.2624 *300.783* 300.783@1.0789746 1 1 1 1 1 1 1 1 1 1 1 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 1551 1 1 1 1 1 1 1 1 1 1 1 1 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 1 300.783 *300.8808* 300.8808@0.74635667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3042 3144 1 1 1 1 1 1 1 1 1 1 1 1 1662 1796 1 1 1 1 1 1 1 1 1 1 19152 18493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.8808 *301.0383* 301.0383@1.4958787 1 1 1 1 1 1075 2137 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 1770 1 1 1 1 1 1 1 1 1537 1696 1 1562 1 1615 1 1 1 1 1 2282 1 1 1 1 1 1 1 1 1478 1 1 1 1 1 1 1 1 1 2032 1938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.0383 *301.0418* C8 H11 N7 O2 S2 1 1 1 1070 1224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1883 1 1 1206 1 1 1611 1673 1 1 1 1 1678 1855 2277 1178 1 1 1943 1257 1 1 1 1 2181 1 1 1541 1 2152 2066 1 1734 1 1 1981 1 3427 3975 1272 1 1595 1816 2330 2191 2293 1324 4004 4251 1855 1 2104 1 4118 4357 4283 4374 3126 3913 2112 2234 4519 4769 2850 2909 3579 3966 301.0418 *301.0432* 301.0432@2.9965928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.0432 *301.0452* N-Acetylgalactosamine 4-sulphate 3220 3614 4656 4475 4230 4857 6381 6735 5368 4479 6007 6710 5324 5453 4274 4406 5661 5582 8444 8333 6114 5964 6832 7148 3979 3845 6003 6882 5678 5317 6104 6963 5132 5188 5934 5932 6862 7060 5887 6016 6815 7245 4645 4536 5578 5020 6627 6665 6976 6770 8701 9584 9399 9104 4648 4864 4147 4378 8686 8045 13717 12733 6354 5951 8743 9003 7950 8432 8065 8302 14297 15265 5651 5192 4830 7142 12191 11490 13655 13357 11261 12386 6276 5622 15553 15088 9707 9407 13185 6715 HMDB00781 C16265 301.0452 *301.0456* 301.0456@1.3260871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6829 301.0456 *301.0459* 301.0459@2.6804922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2711 1 1 1 1 1 1 2363 2352 1868 1 1 1 2413 2577 1 1 1560 1 301.0459 *301.0529* C22 H7 N O 2997 2933 3125 3365 1774 2127 2398 2700 2178 1867 3111 3437 1903 1986 2248 2557 3102 3290 1972 1734 1702 1670 1 1268 1949 1637 1826 1708 1492 1867 1804 1869 1763 1706 1456 1545 1 1 1 1 1478 1 1600 1 1 1 1 1 1442 1487 1490 1331 1 1682 1016 1 1 1 1 1 1292 1272 1530 1 2333 1802 1 1 1182 1 1 1 1302 1 1 1 1 1 1 1 1 1 1171 1367 1 1 1742 2151 1 1 301.0529 *301.0768* 301.0768@2.9371665 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 2010 1 1 1 1 1 1 1 1 2364 1 1 1 1 1 1 1 1 1 1 1 4799 4247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3057 3242 1 1 1 1 1 1 1 1 1 301.0768 *301.0864* 301.0864@2.9376605 1 1 1712 1 1 1 1 1 1474 1 1 1824 1 1 1 1 3018 2556 2289 2317 2005 1822 1 1 1 1 1 1 1 1 2221 2293 1907 1851 1809 1763 1735 1 1 1 1956 1 1 1 1 1 1 1878 1 2674 3401 3637 3380 3343 2815 2681 1 1818 2127 2032 1 1 2531 2255 3493 3759 6286 5540 1 2353 4015 3757 1 1 2135 2916 3100 3358 3081 1 1 3562 3607 3109 4057 4020 3588 3587 1 3089 301.0864 *302.0072* Ellagic acid 6404 9140 11393 12226 12606 14374 13805 11445 9389 8350 15028 16369 10387 8463 10343 8007 5684 8362 12453 10221 13844 12264 8181 4169 13333 8495 17661 19701 9940 10590 13293 14374 9632 5178 12666 7167 11094 10683 11594 12231 10205 9602 9910 11246 12698 13589 19016 19472 13838 8511 9058 5369 9196 7664 12860 14181 6596 7031 12707 12924 13048 6918 10303 17619 12056 12038 27317 26603 15454 13417 10313 10058 8677 18581 10343 11665 9075 10493 8097 10093 11536 9909 10855 10217 12399 8803 11093 13227 8383 7068 HMDB02899 C10788 302.0072 *302.0075* 302.0075@11.575831 1 1 1 1 1 1 1 1 1 1 1 1 1 11560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5566 1 1 1 1 1 1 1 1 1 1 1 5200 1 1 302.0075 *302.0075* 302.0075@11.794845 1 1 1 1 1 1 1 1 1 1 1 1 1 9593 1 1 1 1 1 1 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 8910 1 1 1 1 1 1 1 1 1 1 1 5444 1 1 302.0075 *302.0075* 302.0075@12.480661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10736 1 1 8200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.0075 *302.0076* 302.0076@11.990679 1 1 1 1 1 1 1 1 1 1 1 1 1 12172 6019 1 1 1 1 1 9090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4233 1 1 6444 1 1 1 1 1 1 1 1 1 1 1 4552 1 1 302.0076 *302.0076* 302.0076@13.011884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8413 1 1 10621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.0076 *302.0076* 302.0076@11.999001 1 1 1 1 1 1 1 1 1 1 1 1 1 13255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.0076 *302.0077* 302.0077@11.622959 1 1 1 1 1 1 1 1 1 1 1 1 1 13431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3866 1 1 1 1 1 1 1 1 1 1 1 7781 1 1 302.0077 *302.0077* 302.0077@10.706672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.0077 *302.0077* 302.0077@12.093906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.0077 *302.0077* 302.0077@3.0608943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2889 302.0077 *302.0779* 302.0779@3.1133425 1 1 2121 1828 1 1 1 1 1 1 1 1609 1 1 1 1 1 1 2152 1 1 1 2653 3215 1 1720 1 1 1 1 1 1 1 1 1 1 1 1371 1 1 1 1 1929 1 1 1 1 1 1 1 2127 1848 2165 2269 1 1 1 1 1053 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 1 302.0779 *302.0886* 302.0886@3.754352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2812 1 1 1 1 1 1 1 1 1 1 302.0886 *302.0886* 302.0886@2.7025337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7719 8200 1 1 1 1 302.0886 *302.0891* 302.0891@2.8423805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 302.0891 *302.1126* 302.1126@1.1394726 1 1 1 1 2645 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.1126 *302.1202* 302.1202@0.7251819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2878 1 1 1729 1 1 1 1 1 1929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2172 2030 2839 2897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.1202 *302.1251* 302.1251@3.7329383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2641 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 1 302.1251 *302.1342* 302.1342@0.7266268 5089 4865 4283 4620 4319 4581 4153 4998 4385 4342 3981 3303 2965 2933 3821 3431 4737 4975 3929 4227 6710 6952 4106 3822 4933 5261 3858 3877 7085 6774 1 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 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 1 302.1342 *302.1466* 302.1466@1.1978155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 302.1466 *302.1683* 302.1683@1.6420978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4000 1 1 1 1 1 1 1 1 1 1 1 302.1683 *302.1734* 302.1734@1.137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 302.1734 *302.179* 302.179@1.0626267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 4130 1 1 1 1 1 1 1271 1 1 1 302.179 *302.1898* 302.1898@1.0684623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1158 2280 2231 1 1 1 1 1 1 2710 2753 1223 1421 1 1 1 1333 1 1 2434 1 1 1 1 1 1 1 1 1 2392 2333 3919 3505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2463 2699 1 1 1 1 1 1 1 1 1 1 1569 2079 1 1934 1 1 1 1 1983 1885 302.1898 *302.205* 302.205@1.0600468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 302.205 *302.2254* 302.2254@1.0419699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 302.2254 *302.2313* 302.2313@1.0646352 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.2313 *302.2365* 302.2365@1.0442982 1 1 1 1 1 1 1 1 1 1 1 1 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 1512 1241 1152 1 1 1 1522 1 1614 1 1238 1 1 1 1 1 1 1 1295 1 1 1413 1104 1265 1 1 1 1 1213 1214 1 1 302.2365 *302.2384* 302.2384@1.6321119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1845 1 1 1 1 1 1 1 1 1 1 1 302.2384 *302.2432* 302.2432@1.0368068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.2432 *302.9678* 302.9678@0.91752785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2691 1 1 1 1 1 1 1 1 1 1 302.9678 *303.0207* C7 H17 N3 O2 S4 14515 14107 9833 9815 5747 4791 8636 8416 11509 11850 7706 8932 9116 8768 15145 16106 17354 15780 8405 8826 11598 11092 10312 10305 12408 13136 8805 8055 8660 8285 9494 10233 2824 2797 8734 10374 13434 13588 10181 8584 10621 10728 5739 5667 10404 11002 12695 12756 12274 12203 12880 14158 15910 13465 16370 16556 11129 9997 13443 13648 16963 20047 13421 12800 14335 14847 11388 12922 11661 12029 22607 21259 11380 9204 14026 12230 15185 14231 11589 12048 16237 15945 9023 8915 10819 10157 11893 10911 11433 10534 303.0207 *303.0672* 303.0672@1.9696614 1 1 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 1 1 1 1 303.0672 *303.072* 303.072@2.8945765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.072 *303.0741* 303.0741@1.9688175 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.0741 *303.084* 303.084@1.9662684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 303.084 *303.0853* 303.0853@1.9522142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2075 1 1 1 1 1 1 1 1 303.0853 *303.8622* C4 H7 Cl3 O3 S3 1 1302 1174 1502 1252 1 1 1 1 1 1 1 1 1077 1 1 1089 1 1 1 1 1 1 1154 1 2104 2570 2586 1 2350 1972 1821 2009 1974 1947 1796 2141 1766 1848 1654 1647 1883 2039 1825 1966 1793 2358 1897 2100 1562 1609 1641 1492 2036 1627 1596 1706 1859 1875 1939 1 1 1 2005 2129 1741 2193 2408 2531 2458 1909 2194 2852 2371 2107 2078 3102 2823 2728 2953 1558 1729 2560 2005 2561 1 2395 2228 1532 2312 303.8622 *303.9327* 303.9327@2.109587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 303.9327 *303.936* 303.936@2.0055337 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1183 1232 1 1 1 1 1 1 1 1 1 1 1 1 1 1768 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 1 303.936 *304.0052* 304.0052@10.89391 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0052 *304.0058* 304.0058@12.316012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3021 1 1 1 1 1 3678 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 3453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0058 *304.0059* 304.0059@11.937321 1 1 1 1 1 1 1 1 1 1 1 1 1 3476 1883 1 1 1 1 1 5015 1 1 5475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6209 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 2660 1 1 1294 1 1 1 1 1 1 1 1 1 1 1 2264 1 1 304.0059 *304.006* 304.006@12.718035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.006 *304.0065* 304.0065@1.9724627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2399 1 4286 1 1 1 1 1 1 1 1 1 3930 1 1 1 1 1 1 1 1 1 1 1 1 1 4149 1 2567 1 1 1 1 3504 4292 1 1 1 4214 6526 1 1 1 1 1 1 1 1 1 5269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0065 *304.0084* 304.0084@3.117314 1 2761 1 1 1 3802 5077 4857 1 1 1 1 1 1 1 4005 1 1 2851 1 1 3926 1 1 4258 1 1 1 1 1 1 1 1 1 3032 1 1 1 1 1 1 1 2803 1 1 1 1 1040 1 3900 4225 5320 1 4474 5504 1 1 1 3804 1 3395 6131 2892 1 1 1 6930 5590 1236 1 1 1 1 1 5634 5240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0084 *304.0103* 304.0103@1.9693756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0103 *304.015* 304.015@3.010736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 304.015 *304.0176* C12 H13 Cl O5 S 83505 82499 60048 55688 28582 27968 51092 50531 76499 73870 53115 56096 53193 53233 94317 95008 96448 99485 48259 49916 64181 64898 58984 60130 71709 74541 55924 49789 54919 49774 57569 58533 15026 13781 56517 56579 77782 75143 53939 54559 67636 66540 29592 29870 60207 63480 77097 77265 69177 71705 78530 79265 92174 91053 99368 100287 60259 58196 83982 83525 107358 109732 76915 75216 89200 90112 72114 71802 66344 71641 134773 133552 51410 54304 86844 78679 86940 88939 66382 67472 97825 95280 56462 55638 63840 65158 70854 72842 64476 68028 304.0176 *304.0181* 304.0181@2.1137824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0181 *304.0259* 304.0259@2.9868596 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 1 1 1 1 1 1 1 1 1 1 1 304.0259 *304.0416* 304.0416@3.0311394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2276 1 1 1 1 1 1 1 1 1 1 1 1 1253 1 1 1 1 1 1 1 1 304.0416 *304.0463* 304.0463@2.9738076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0463 *304.0548* 304.0548@2.9599164 1 3811 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 117334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5388 1 1 1 1 8453 119408 1 1 1 1 1 1 1 1 1 1 1 1 1 3706 4073 3521 1 5070 1 1 1 1 1 1 1 1 1 4435 1 1 1 1 4568 1 304.0548 *304.0564* L-Fucose 1-phosphate 83586 81557 97411 100285 16649 62450 20630 84027 83543 84905 93638 90532 18419 59697 21647 21631 149825 47771 21849 20201 21535 22385 78898 81725 17266 53059 22497 22174 45994 15765 19908 22977 122110 4890 100612 99744 28657 28875 92031 92753 125924 124402 26515 77619 19587 66024 21332 22867 130821 132254 127412 128255 139083 138969 120831 12624 141281 142490 126589 125064 133192 129961 47740 179058 124600 118808 55963 54678 151436 148289 63685 57410 97420 90986 173481 175476 78546 79650 75061 93942 109679 98778 88003 82221 138334 137419 114383 109257 115321 118726 HMDB01265 C02985 304.0564 *304.0567* 304.0567@2.8782625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25259 29877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0567 *304.0758* 304.0758@1.9523807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0758 *304.0776* 304.0776@1.9548737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1191 1 1 1 1 1744 1648 304.0776 *304.0818* 304.0818@1.550776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2298 1 1 1 1 1 1 1 1 1 1 1 3771 1 1 1 2766 3124 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0818 *304.0842* 304.0842@3.9487274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 304.0842 *304.0864* 304.0864@4.7265983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 304.0864 *304.0865* His Cys 1 1 2235 1 1 1 1742 2389 3108 2273 3274 2847 2446 1 1078 1 1 1 3130 2589 2548 1 1879 2606 2425 2389 1 1 2752 1 2636 1 1 1 3028 2779 1 1497 2950 1 3187 3073 3020 2910 2471 1 2496 2087 3122 3064 2286 3063 3083 1 1 2713 1 2959 2459 2332 2584 1 1 1 3220 1 2722 3403 2658 2413 1 2763 2732 1 1 1 1 1 2086 1930 1 1 2740 1 3379 1 3270 3395 1 3326 304.0865 *304.0885* 304.0885@1.9565947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2458 1 1 1683 1 1 1 1 1 1 1 304.0885 *304.237* 304.237@1.0388467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.237 *305.01* 305.01@3.5011315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 305.01 *305.0434* 305.0434@1.9743866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 305.0434 *305.0506* 305.0506@1.9625947 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 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 1 305.0506 *305.0607* 305.0607@1.9698063 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 1862 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 1 305.0607 *305.079* 305.079@1.9563761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1666 1469 1111 1 1 1 1 1 1 305.079 *305.0883* 305.0883@1.9616402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 305.0883 *305.8595* C5 H4 Cl2 N2 O S4 1 1 1050 1 1160 1390 1279 1 1 1 1 1 1068 1 1 1 1 1 1 1 1 1 1 1 1949 1855 1 1957 1749 1643 1435 1412 1837 1903 1802 1586 1761 1965 2015 1643 1790 1673 1367 1304 1556 1666 1688 1800 1574 1504 1357 1496 1326 1291 1 1 1 1958 1656 1779 1 1 1641 1585 2189 1775 1852 2012 1931 1960 1693 1843 1914 1710 2390 2379 1 2377 2498 2686 1504 1384 1681 1885 2248 2555 1979 1934 1694 1532 305.8595 *306.0174* 306.0174@4.0105586 2393 1881 1 2408 3077 3610 1 1 2455 3530 2336 1 2914 3326 1 1 1 1 2205 1 1 1 1320 1042 2628 2727 2935 1 1 1 1 1270 1926 2169 1 1365 1 1 1596 1988 1 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 1 1412 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 1 306.0174 *306.0177* 306.0177@4.157025 1 1 1 1 5081 2993 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 2270 1 1 1 1 1 1 2617 1 1 1 1 1 4944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.0177 *306.0183* C14 H10 O6 S 6695 5030 9963 10565 2657 5408 1 1 8206 7675 5103 2104 5835 7409 1800 1326 1 1 6651 1898 1 1 4698 2576 2712 3185 7596 1 2868 1 1702 4667 4614 5486 2595 2262 3908 1258 2738 3907 1 1 2921 2856 2343 2500 1 1 1 1 1 1 1 1 1 1 1168 3887 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 1 1 1 1 1 1 1 306.0183 *306.0186* 306.0186@1.5164987 19113 12100 2463 2669 1 1 1 1 1 1 1 1622 7106 11598 1849 1 1 1 1 7534 1251 1 11414 1 1 1 1 9475 1 1 6984 1 3333 14755 1 1 1924 1 9583 9219 1 1 1 4883 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3083 1 1 1 1 1 306.0186 *306.0189* 306.0189@1.6686527 1 1 1 12448 1 1 1 1 1 1 1 1 7121 1 1 1 1 1 1 13883 1 1 1 1 1 1 1 1 1 1 1 1 9537 1 1 1 1 1 2961 17930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.0189 *306.019* 306.019@1.3495487 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.019 *306.0192* 306.0192@2.1279397 1149 1 1 2379 1 1 1 1 1 2663 2784 1 1556 1 1 1 1 1 1 1 1 1 1 1 3406 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 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 3742 1 1 1 1 1 1 1 1 1 1 1 1 1 306.0192 *306.0345* 306.0345@1.5084282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2711 1 1 1 306.0345 *306.0398* 306.0398@1.5116544 1 1 1 1 1 1 1955 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 1832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2364 1 1 1 1 1 1 1 1 1 1 1 1 1549 1 1 1104 1 1426 1523 3955 3279 1 2232 1 1 306.0398 *306.0463* 306.0463@1.5123912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2627 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 1 1 306.0463 *306.0519* 306.0519@3.0625556 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.0519 *306.0602* 306.0602@2.915881 1 1 3865 1 44866 1 64062 1 1 1 1 1 40290 1 51128 53229 1 109131 58739 72238 104412 108007 1 1 36290 1 88060 81290 1 30858 107205 108841 1 1 1 1 69917 72450 1 1 1 1 53662 1 44986 1 70023 66901 1 1 1 1 1 1 6216 1 1 1 1 1 1 1 132644 1 1 1 195371 192736 1 1 1 1 1 1 1 1 1 1 10629 10478 1 10997 1 1 1 1243 1 1 1 1 306.0602 *306.0602* 306.0602@3.2124596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1621 2145 2367 1 1 1 1 1 1 1 1 1 1 1687 1 1 1 1 1 1 2394 1 1 1 1 306.0602 *306.063* 306.063@2.4297307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2160 1895 306.063 *306.0646* 306.0646@1.9675732 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 1439 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 1 306.0646 *306.0743* 306.0743@0.84216577 1 1 1 1 1 1 4800 4245 1 1 1 1 1 1 1 1 3362 3319 2195 1958 6470 6790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.0743 *306.0755* 306.0755@1.9644626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 306.0755 *306.0775* 306.0775@2.4306233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 306.0775 *306.0859* 306.0859@1.9526705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2137 1746 1 1255 1 1 1 1 306.0859 *306.0879* 306.0879@1.972598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1309 2039 1807 1 1 1457 1 1 1 1749 2203 306.0879 *306.1002* 306.1002@1.9766405 1 1 3401 2895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.1002 *306.1022* 306.1022@1.652876 1 1 30028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.1022 *306.1029* 306.1029@1.5885782 1 1 379909 406647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.1029 *306.1043* 306.1043@1.4033269 1 1 1772209 1774134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.1043 *306.1062* 306.1062@2.8473108 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.1062 *306.1211* 306.1211@1.0570899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1720 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 1455 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 1 306.1211 *306.2168* 306.2168@1.0561004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2288 1560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2349 2081 1 1 1 1 1 1 1 1 1 1 3437 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 1557 1184 3262 3369 1 1 1 1 1 1 306.2168 *307.0535* 307.0535@1.6332849 1 1 1 1 2240 2025 1 1 1 1 1432 2450 2458 2311 1 1 1 1 2166 2104 1 1 1 1 1 1 1 2294 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.0535 *307.063* N-Acetyl-5-hydroxysulfapyridine 2983 3943 1 1 1 1 3056 3043 2673 2810 1 1 1 1 3711 3464 5107 4900 1 1 2930 3027 3414 3361 3249 2983 2790 1 3250 2911 3106 3191 1 1 3690 3578 3327 3147 2089 1 6293 1 3221 3093 3273 3690 4357 3835 3873 2843 4910 4572 3250 3704 4756 4540 3297 2675 3356 3360 3562 3813 4923 4890 1 2804 4248 4509 1 1 3483 3318 4487 1 4551 4585 2540 2274 1 1 3356 3080 3632 3399 1854 1978 2761 2701 3483 3286 307.063 *307.0647* 307.0647@1.6222732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2734 1 1 1 1 1 1 1 1 3759 1 1 1 1 3240 3069 1 1 1 1 1 1 1 1 1 1 307.0647 *307.0729* C11 H17 N O7 S 13421 13782 12255 11443 11735 11152 11989 11376 12688 12293 11361 11578 10680 9765 10966 11421 11237 10927 10230 9839 9154 8504 9125 9353 8380 7714 8442 7781 7969 7265 7770 7582 8000 8243 7767 7102 7264 7068 7415 7231 7594 7496 7382 6996 6314 6264 6380 6261 5762 5805 6359 6564 6509 6149 7035 6706 6421 6279 5752 5491 6984 6847 5879 6434 6549 6336 5779 5955 4864 5425 5623 6035 5337 5392 5813 5369 5134 4891 5583 5905 5934 5677 5678 5531 5517 5101 5489 5527 4400 4306 307.0729 *307.0777* 307.0777@2.9863822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 307.0777 *307.0872* 307.0872@3.0061579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1331 1 1 307.0872 *307.0944* 307.0944@2.4399874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1703 1 1 1 1 1 1 1 1 1 1 307.0944 *307.1161* 307.1161@2.0602515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3175 1 1 1 1 1 1 1 1 1 1 307.1161 *307.1204* 307.1204@5.7435117 1 1 1 1 1 1 1 1 1 1 1295 1387 1 1 1 1 1246 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.1204 *307.1295* 307.1295@2.0606766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 307.1295 *307.1771* C13 H29 N3 O S2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15417 15750 1 1 1 1 1 1 76123 78227 20400 23207 35395 35352 25998 25284 2509 2659 55233 54244 1 1 1 1 1 1 1 1 47789 50059 107783 107557 5433 4381 3391 3912 1 1 1 1 1 1 6485 5387 5981 6488 31253 30026 1 2375 5395 6258 8649 8364 1 1 20479 20053 39860 38171 44750 46870 1 1 19817 21276 31855 30109 307.1771 *307.2507* 307.2507@1.4035554 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.2507 *307.3126* 307.3126@1.4055545 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.3126 *307.32* 307.32@1.4010957 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 1 1 1 307.32 *307.3726* 307.3726@1.4035554 1 1 1 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 1 1 1 1 1 1 1 1 1 1 307.3726 *308.0584* 308.0584@2.905988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13910 14702 1 1 16939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59413 57979 1 1 1 1 1 1 1 1 1 1 4597 1 1 1 1 1 1 1 1 1 1 1 308.0584 *308.0727* 308.0727@2.9500258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5216 1 1 1 1 1 1 1 9232 8735 1 308.0727 *308.0762* 308.0762@1.968659 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.0762 *308.0768* 308.0768@2.9718506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5717 308.0768 *308.0776* 308.0776@1.323177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.0776 *308.083* 308.083@1.9639492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1259 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 1234 1 1 1 1 1 1 1 1 1 1 2028 1 1 308.083 *308.0838* 308.0838@3.0260737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3824 4401 1 1 1 1 3565 4216 13999 1 3637 4787 1888 4435 1 4988 5367 1 1 1 308.0838 *308.0884* 308.0884@1.9549009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1287 1 1 1 1 1 1 1 1 2087 1581 1 1 1 1 1120 1 1 1 1 1 1 1 1 1 1 1 1 1681 1664 1922 1658 1766 1 1 1 1 1 1621 308.0884 *308.0908* 308.0908@2.440766 1 1 1 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 1146 1466 1 1 1 1 1 1 1 1 1 1 6971 7677 1 1 1 1 1 1 1 1 1 1 308.0908 *308.1089* 308.1089@2.0538175 1 1 1 1 1 1 1 1 1 1 1 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 4162 4733 1 1 1 1 308.1089 *308.125* C23 H16 O 1 1 1 1 1 1 2259 1844 1 1 1 1 1 1489 1 1 1973 1 1 1944 1 1546 1 1989 1487 1716 1 1 1 1660 1831 1 1 1 1864 1 1 2900 1873 1 3017 2602 1 1 1 1 1 2776 1 1 1 3246 1 3695 2941 1 1 1 4434 1 3627 1 2499 1 1 1 2840 2504 1 2303 1 6238 1 1 1 1 1 1 7358 8968 3651 1 1979 1982 1 1 2163 1867 3147 3486 308.125 *308.1261* 308.1261@2.058971 2185 2391 1 1 1 1 1 1 2278 2159 1 1 1 1 1842 2058 1 2370 1804 1 1259 1 1891 1 1 1 1609 1 1724 1 1 1464 1 1 1 1 2234 1 1 1840 1 1 1 1 1739 1225 2748 1 1952 2235 2693 1 3811 1 1 2938 1663 1543 1 4551 1 3776 1 2749 3193 3314 1 1 1 1 5753 1 1 1375 2352 2673 2999 2875 1 1 1 3707 1 1 1 1 1 1 1 1 308.1261 *308.1634* 308.1634@1.0731446 1 1 1 1 1 1652 1 1338 1 1 1276 1395 1 1 1 1370 2134 1425 2063 1 1 1 1 1 1469 1388 1244 1215 1269 1613 1 1 1 1 1 1 1 1 1969 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 1370 1 1 1 1 308.1634 *308.1646* 308.1646@1.0645608 1 1 1241 1317 2301 1 1163 1 1521 1798 1 1 2254 1 1822 1 1 1 1 1424 1 1561 2096 2369 1 1 1 1 1 1 1 1 4108 1 1 1 1 1 1 1 1 1 1 1 1 1480 1 1 1972 2025 1 1 1 1 1668 1886 1 1419 2231 2101 2472 2574 1 1 2282 2260 1 1 1 1 1 1 1 1 1 1 1 1 3670 3742 1 1 1 1 1813 1 3086 3301 1 1 308.1646 *308.176* 308.176@1.0432848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 308.176 *308.2005* 308.2005@0.8062274 1 1 1 1 1 1 4572 3694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1605 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2411 2476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1138 1 1 308.2005 *309.0394* 309.0394@1.9379548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 309.0394 *309.0653* 309.0653@2.9083428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2129 2541 309.0653 *309.0667* 309.0667@1.5340092 1 1 1331 1325 1 1 1 1282 1 1 1 1 1 1387 2566 2511 1 1 1 1 1 1 1 1 1 1 1400 1 1 1 1207 1528 2444 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 1434 1458 1 1 1423 1404 1 1 1 1 1 1 1 1 1681 1636 1 1793 1 1 1 1 1 1305 1347 1 2062 2327 1 1 309.0667 *309.1078* 309.1078@1.9678137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2684 1 1 1 1 1 1 1 1 1 1 309.1078 *309.9078* 309.9078@1.1886542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1949 1 1 1 1 1 1 1694 1845 309.9078 *310.0522* 310.0522@1.3979648 1 1 1 1 1 1 1 1354 1 1 1 1400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1235 1246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1284 1556 1493 1 1 1374 1 1 1 1 1 1 2170 2085 1 1 1463 1425 1 1 1099 1 1464 1647 1 1 1 1 1719 1785 1 1 1 1 2079 1984 1954 2206 1669 1439 1301 1 310.0522 *310.0549* 310.0549@2.0668879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 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 1 1 1 310.0549 *310.0621* 310.0621@2.0667758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1555 310.0621 *310.0891* 310.0891@1.4953097 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 1676 1 1 1 1489 1458 1653 1533 1 1 1 1 2240 2573 1 1 1514 1793 1678 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 1764 1323 1 1 1 1 310.0891 *310.0916* 310.0916@3.8065214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1659 1 1 1 1 1357 310.0916 *310.0992* 310.0992@1.9749427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1926 1 1 1 1 1 1 1 1003 1 1 1 1 1533 1 1 1 1 1 1 310.0992 *310.1079* 310.1079@1.968735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 10148 11540 1 2092 1 1 1 1 1 1 1 1 310.1079 *310.1079* 310.1079@2.5518773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18304 19605 1 1 1 1 1 1 1 1 1 1 8813 9074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5364 5768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14035 13981 310.1079 *310.108* 310.108@1.3419379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16471 13124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 310.108 *310.1409* 310.1409@1.9649848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 310.1409 *310.157* 310.157@1.96632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2318 1 1916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1822 1 2159 1 1 1 1 1 310.157 *310.1599* 310.1599@1.9748124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3005 2593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1599 *310.1604* 310.1604@1.9778019 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 2844 1 1 1 1 1 1 1 2662 1 1 1 1 1 1 1 1 1 2240 1968 2697 1 1482 1 1 1 1 1 1 1 1 1 1 1 1673 1 4205 1 1 1983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2795 1 1 1 310.1604 *310.1615* 310.1615@1.0131736 1 1 3970 1 1 1 1 1906 1 1 2285 1 2617 2386 3778 3866 4834 6269 1 1 3740 3698 1 1 1 1 2284 1 2970 3190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2918 2708 1 1 1 1 1 2559 1 1 1 1 1 1 1 1 1 1 1935 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 1 310.1615 *310.1664* 310.1664@0.9768392 1 1 1 1 1 1 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 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 1 310.1664 *310.1693* 310.1693@1.6320581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4518 4468 1 1 1 1 1 1 1 1 1 1 310.1693 *310.1696* O-Desmethylquinidine 2150 2405 3763 2643 1155 2649 2739 3382 2429 2250 2857 3320 2343 2148 2700 2676 3392 3078 1 1 3055 3717 2693 3090 2889 3298 5096 4035 2882 1 2137 1 2455 1981 3152 3313 2124 2573 2378 1 4270 3044 1796 2044 2417 2381 2980 4682 3636 1 1 1 1 1 1 2032 1 1 1 1919 1 1931 1 1 2029 1 2829 1 1996 2073 1 1435 2051 1960 1 2461 1 1 1 1 1 2442 1 2272 1 1489 1 1 1 1 310.1696 *310.1733* 310.1733@1.1733661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1157 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1733 *310.1745* 310.1745@2.0318513 1 1 1 1 2599 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1745 *310.1785* 310.1785@1.1023118 3919 4077 3048 3093 1 1 3456 4356 3741 4455 3962 1 1 1 1 5703 1 4942 5488 1 1 1 1 1 1 4404 3549 3969 5095 5210 1 1 1 1 1 1 1 1 6195 5396 1 1 2836 3113 4069 4060 1 1 4875 4429 1 1 1 1 5826 1 1 1 4906 5152 1 1 1 1 6700 1 1 4109 1 1 1 1 1 3206 3139 3156 1 1 1 1 1 1 1 1 1 2385 1213 1 1 1 310.1785 *310.18* methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate 1 1 1692 2005 1 1 1 1 1 1525 1987 1927 1 1 1 1 1 1 2236 1868 1 1835 1 1 1 1 6636 6448 1644 1980 1977 2007 1 1 1487 1 1 1 1644 1811 1 1454 1 1 1 1 1 1 1 1 1 1438 2165 1754 1 1606 1146 1 1 1 1690 1620 1636 1275 19462 19551 1 1 1 1 1272 1275 1 1 1092 1 1 1 2982 2987 1469 1 4695 4833 3927 6900 1674 2040 1 1 310.18 *310.1838* 310.1838@1.104655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2958 1 1 1 1 1 1 1 1 1 310.1838 *310.1889* 310.1889@1.096729 1 1 1 1 4708 4651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5987 6846 5808 7644 1 1 1 1 1 1 1 1 5959 1 8669 1 5496 4725 1 1 1 1 1 1 1 1 1 1 1 1 1 8374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6580 4948 1 1 1 1 1 1 1 1 8554 9544 1 1 6503 6816 1 1 1 1 7378 1 310.1889 *310.196* 310.196@1.0947299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5795 1 1 1 1 1 1 1 1 310.196 *310.2059* 310.2059@1.0890244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12856 12534 1 1 1 1 1 1 1 1 7959 8001 1 1 1 1 1 1 1 1 8899 1 12926 12928 1 1 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 5357 6852 1 7284 310.2059 *310.9739* 310.9739@0.84008336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1303 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 2742 2737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1388 1342 310.9739 *311.0516* C19 H9 N3 S 7173 6737 4664 4622 2253 2157 5923 5627 5774 6215 4452 4280 7536 7341 8307 8614 9895 9718 7179 7375 8626 8441 8987 9238 6830 6440 7239 7385 9444 10052 4462 4501 1 1 4341 3732 4939 4943 4135 4577 6912 6894 2431 2078 4275 5021 4190 4257 11380 11354 14087 13610 8199 8634 12509 12238 4443 4840 8639 9068 9752 9760 5155 4971 7574 8062 10022 9977 5399 5244 9016 8795 4030 3883 4546 3969 8834 9007 9540 9246 13511 13511 8824 9317 6644 6594 9711 9505 10230 10343 311.0516 *311.0937* 311.0937@1.0982535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 311.0937 *311.1203* 311.1203@3.4058325 1 1 1 1 1 1 1 1 1 1 1 1604 1 1 1 1 1 1 1 1543 1 1 1 1291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1577 1 1 1 1874 2076 2311 2186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2270 2407 1 1 1 1 311.1203 *311.1264* N,N-HEXAMETHYLENEAMILORIDE 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2175 2354 1 1 1457 1690 1 1 1 1 1 1 1 1 1 1 1 1 2315 2361 1 1412 2117 1823 1 1 1 1 1 1230 1 1 2574 2245 2303 2578 1 1 1 1 2541 2511 4881 4520 2301 2339 1 1 1 1 1 1580 3479 3404 1 1 1 1 2921 2732 2873 1 3596 3365 2051 2383 4835 4281 2460 2389 6329 5957 311.1264 *311.1537* 311.1537@2.338018 1 1 1 1 1 1 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 1361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1136 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 1 1 1 1 1 1 1 311.1537 *311.1554* 311.1554@2.9104092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2957 2970 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 1 1 2144 2141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.1554 *311.156* 311.156@1.1981782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2883 1 1 1 1 1 1 1 1577 311.156 *311.1573* 311.1573@1.9721041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1823 2091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.1573 *311.9042* 311.9042@1.1884995 1 1 1 1 2540 7575 1 1 1 1 1 1 1150 1 1 1 9509 10865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14709 14197 1 1 1 1 1 1 1 1 4594 10835 1 1 77422 79261 1 1 1 1 1 1 76620 78040 311.9042 *311.907* 311.907@4.1619463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2993 1 1 1 1 1 1 3343 1 1 1 1 1 1 1 1 1 1 1 311.907 *311.9171* 311.9171@0.900311 1291 1 1047 1 1 1 1 1143 1 1220 1124 1108 1 1 1 1 1198 1498 1222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1084 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 1014 1 1 1 1 1 1 1 1 1 2207 2550 1 1 1 1 1 1 1 1 1 1 311.9171 *312.0485* C14 H16 O4 S2 16474 17178 12913 11166 4244 4320 14203 14302 14446 13871 10283 10887 18831 18921 18162 20827 24495 24026 18081 19122 20598 20065 22155 23052 17075 17523 19212 18016 24135 23450 10614 10745 1869 1991 9740 9571 11762 12653 10148 9963 17355 17659 4327 5134 10990 11511 11931 10885 27783 28176 33880 35664 20715 21190 30638 30731 11197 11062 21248 21042 21830 25069 12676 12834 19591 19408 24616 24012 13520 13225 24106 23551 10852 9855 11421 11294 22598 23488 23058 23656 34224 34016 22451 22349 16124 16217 23789 23427 25863 25466 312.0485 *312.0492* 312.0492@2.8304763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 312.0492 *312.0507* 312.0507@2.8687098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2980 1 1 1 1 1 1 1 1 1 1 312.0507 *312.056* C24 H8 O 10131 10133 7328 7027 6311 6144 8263 2614 8491 7972 6025 2924 6278 6868 7855 8448 7805 8261 5336 5546 5775 5452 7312 7103 6596 6002 5733 5640 6148 6196 5288 5760 4146 4117 3508 6227 3456 5783 4366 2723 8061 7968 6233 5552 6214 5314 5706 3458 3266 5290 9810 8874 4483 3540 7028 7485 6625 6859 4083 2954 5351 4626 6243 6159 3404 3232 4774 5980 1 3204 5031 4599 6938 7024 5810 6385 4146 4520 10753 11888 4302 4049 4424 5112 3760 3909 4286 5752 4802 4958 312.056 *312.1238* 312.1238@2.490276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.1238 *312.1292* 312.1292@2.5001476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4601 1 1 1 1 1 1 13243 1 1 1 1 1 1 1 1 1 1 9883 1 1 1 1 1 10309 1 1 1 6705 1 1 1 16477 1 1 17471 16217 312.1292 *312.1319* 312.1319@2.5012937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5497 1 1 1 1 1 1 1 1 1 1 14228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6840 1 1 6753 7005 1 5533 1 16232 1 1 1 1 1 312.1319 *312.1425* 312.1425@2.5201976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 312.1425 *312.166* 312.166@1.1111039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33508 40904 32527 29076 31344 35311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11373 14861 19382 17053 23292 26383 17748 19935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15705 14517 1 1 1 1 312.166 *312.169* ETHOPROPAZINE 35292 31542 29350 29200 34267 29503 29783 27594 30255 28511 27614 28706 26192 28512 33151 30949 29183 18507 38722 33526 31266 28702 23612 32447 1 1 1 1 1 1 1 1 26767 26833 16378 1 14247 20720 28919 33921 23249 24103 34688 26814 20192 21239 32223 25299 29169 21086 1 1 11584 6868 17464 18233 1 1 4032 1 1 1 1 1 18880 17655 15327 13501 12084 10265 16407 18148 17004 13395 12064 18057 12102 17122 17143 15524 8854 9926 1 11358 1 1 18093 15120 9247 12905 D03276 312.169 *312.174* 2-Hydroxyethinylestradiol - 1.1476005 1 1 1 1 13188 16867 1 1 8737 1 1 1 14450 15338 13670 1 446648 19965 6028 10569 186662 9268 17366 1 11044 1 10079 9978 12738 10756 14485 17873 11559 1 18869 21019 14969 12473 52420 7170 9778 10338 1 1 10648 11801 1 1 9632 4870 7211 8853 6145 4188 1 5436 8935 6900 5616 5616 1 1 5145 1 7181 1 4474 2056 1 1 4739 1 1 4870 1 4303 6005 4802 5453 6072 12824 13311 14132 5921 6843 6556 1 6667 10676 9282 312.174 *312.174* 312.174@2.0780883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.174 *312.1744* 312.1744@1.6059256 1 1 1 1 1 1 1 1 1 1 1 1 1 6234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131363 123678 1 1 1 1 1 1 1 1 1 1 312.1744 *312.1744* 2-Hydroxyethinylestradiol - 2.0906997 57682 39065 64747 44669 60931 99321 73248 53118 78194 58152 55023 67463 60148 24589 68868 62762 69254 49612 58394 60425 73410 90917 68939 61004 82812 44176 42045 41956 86312 79645 62650 36251 70620 47099 73717 72710 53492 80174 37129 63090 78375 58223 76106 49376 63929 43238 66175 56486 80838 38917 33638 29316 40941 30655 37308 38217 16215 35027 40077 36415 34574 34792 38966 39748 41736 21024 29671 32749 32667 33385 1 19960 55247 48023 27045 48677 40489 34605 33259 38772 22668 23149 41693 42533 38313 20904 34404 37239 36335 24793 312.1744 *312.1745* 2-Hydroxyethinylestradiol - 1.305595 27694 1 20547 14556 20466 30831 26683 27583 33855 43351 26929 25495 42839 38401 30233 1 16256 1 1 31138 27562 27653 34633 1 42411 56287 24073 20278 36951 1 1 27414 31141 28080 21739 26706 22201 25401 21857 29490 35683 30047 27983 1 24810 32609 26133 26386 37956 12050 11898 20148 28515 21251 18944 1 1 16042 21923 13995 14955 1 17913 16317 19711 18641 12077 11731 21986 1 22366 17377 23820 18032 21689 33512 20022 6484 9227 12655 1 1 12128 19222 15944 16224 12274 16053 1 17221 312.1745 *312.1745* 312.1745@0.68077815 15058 1 1 1 1 1 1 1 1 1 1 1 1 9762 17756 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 10390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6451 11174 1 1 1 1 1 1 1 1 1 20012 6080 1 1 312.1745 *312.1745* 312.1745@1.2727191 1 1 16066 11860 1 1 1 1 1 1 1 1 1 6104 1 1 16085 1 1 1 13532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6338 1 5214 1 1 1 1 1 1 1 1 1 1 1 312.1745 *312.1746* 2-Hydroxyethinylestradiol - 1.9728087 68333 72357 98319 106723 93222 88334 116205 107323 70721 72860 111866 108427 72509 74959 68702 72726 85948 88436 92765 90043 100752 100771 80021 80921 100501 98116 150097 149171 100007 112479 90790 86128 70618 63650 90119 88955 74357 74001 84453 83354 84745 80192 70123 68820 84123 76720 109286 109314 122999 70351 63070 56660 41154 39052 61478 62806 45019 48675 51097 50856 62506 58782 65703 63017 59316 54530 100066 92763 59277 61012 52292 45156 58636 59875 43798 54589 47217 50601 51225 50936 59845 58395 56723 58215 59632 56834 62417 62871 45310 42083 312.1746 *312.1746* 312.1746@0.77961844 1 1 1 1 1 1 1 1 1 1 1 1 1 5905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.1746 *312.1747* 2-Hydroxyethinylestradiol 76292 71476 60609 63672 50969 52260 141126 137119 68475 67005 127910 130617 181122 182520 296977 293307 12740 459892 51124 45505 4165 181932 51446 47984 73459 77052 150002 150179 199391 194518 67709 67165 51289 48051 37898 37864 54733 58137 6663 55978 88418 89816 39663 38311 179392 184190 31819 32804 47997 48911 138742 136921 59900 67074 66733 66383 41074 43539 59791 56281 58832 59511 135644 141686 65453 62351 37148 36969 51934 51026 41145 43418 34261 31837 33349 34085 41387 40814 54707 53207 56209 57374 73223 73706 41497 43682 37392 41142 69402 71011 312.1747 *312.1747* 2-Hydroxyethinylestradiol - 2.8964827 55626 48433 49714 26350 37353 43059 42081 46047 45734 44424 44211 44998 41134 48774 55826 53283 67899 63187 41337 47754 48919 48993 55627 55452 39392 42638 41988 46716 42886 37838 42446 42084 49411 43802 52527 48355 46933 44561 55827 48663 52439 53612 38972 6937 51845 38528 44631 44878 54772 34265 40533 30648 35997 36241 39073 11503 27514 28306 35118 28641 33357 35571 32675 32990 33090 30685 34748 30864 29490 3959 36941 34077 30946 29983 28164 38551 34527 33295 30652 27919 36677 32639 38169 34008 29264 31859 29678 33132 30116 28104 312.1747 *312.1747* 312.1747@2.1331098 27816 1 1 1 1 1 1 1 1 1 1 1 1 53187 1 1 1 1 1 8860 1 1 1 1 1 35876 1 1 1 1 1 1 21840 37993 1 1 1 1 18486 1 1 1 1 1 1 1 1 33787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15596 1 1 1 1 1 1 1 1 6399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.1747 *312.1748* 312.1748@2.3956614 1 1 1 1 1 1 1 1 1 1 1 1 1 13318 5732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.1748 *312.175* 312.175@2.7328858 11996 1 1 18011 1 1 1 1 1 1 1 1 1 8961 11567 1 1 1 1 1 6430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10649 1 1 1 1 46016 1 1 1 1 1 1 1 1 1 1 1 22642 1 1 1 1 1 1 1 1 1 1 1 1 1 22271 1 1 5526 1 1 1 1 1 1 1 1 1 1 1 16305 1 1 1 1 1 312.175 *312.175* 312.175@6.8790393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 312.175 *312.1751* 312.1751@5.451055 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 1 1 1 1 1 1 1 1 1 1 1 312.1751 *312.3212* 312.3212@0.973088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2367 3729 5042 6141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.3212 *312.9741* 312.9741@1.9750446 1 1 1 1 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 1095 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 1 312.9741 *313.0431* 313.0431@1.9624475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 313.0431 *313.0501* C17 H12 Cl N O3 1588 1484 1 1 1816 1574 2550 2954 2256 2234 1550 1951 2237 1960 1735 1247 2737 2727 1633 1 2269 2490 2816 3047 2033 1799 2206 2234 1216 1230 2372 2604 1 1258 2191 2292 1933 2170 2209 2448 2019 1879 1788 1907 1 1 1935 1841 1622 1571 2516 2661 1856 1 2384 2517 1 1 2632 2499 1 2573 1686 1442 1867 1776 1666 1672 2067 2251 1 1 2294 2156 1 1316 1722 1659 2965 2869 1 1 1512 1526 1210 1 1266 1545 4747 4559 313.0501 *313.051* 313.051@1.9821894 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 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 1265 1098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1085 1 1 1 1 1 1 1 313.051 *313.0735* 313.0735@2.161563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 313.0735 *313.1769* 313.1769@0.7162787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313.1769 *313.1774* 313.1774@2.0696325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313.1774 *313.1776* 313.1776@1.3101486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5950 1 1 1 1 1 7719 2754 1 1 1 1 4350 2041 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 2260 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 1 1 1 1 313.1776 *313.1776* 313.1776@1.0715946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313.1776 *313.1778* 313.1778@2.9526963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2377 1 1 1 1 1 6846 1 1 1 6842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313.1778 *313.1779* 313.1779@2.1535068 4376 1 1 3964 1 1 1 1 1 1 1 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 2312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313.1779 *313.1785* 313.1785@2.6553292 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313.1785 *313.9012* 313.9012@1.1922433 1 1 1 1 2977 1 1 1 1 1 1 1 1159 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 1 1 1 1 1 1 1 5360 1 1 1 1 1 1 1 1 1 1 1 1 1 313.9012 *313.9104* C13 H2 N2 S4 28535 28759 26560 26308 26882 27076 25231 24755 26965 27089 26496 25538 23604 23735 23724 24693 29111 28299 24540 23798 24410 24303 20857 21051 20772 22547 20310 20129 19219 19416 22556 22319 19480 17651 18604 18804 19717 19913 20681 20348 23124 22085 20157 21290 22765 22153 21601 21174 19216 18589 19050 19375 18933 18159 18414 17854 21807 20149 20462 20302 23765 23948 19543 19488 22435 21763 17304 17375 22004 22228 17805 18293 16936 17138 16186 16545 16743 16016 48320 47229 17158 16450 16477 18487 16300 15830 17487 18597 15102 16012 313.9104 *313.9146* 313.9146@2.943705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1225 1 1 1 1 1 1 1 1 1 1 1 1 1 313.9146 *313.9723* 313.9723@1.9798506 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313.9723 *314.038* 314.038@2.9533563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2550 1 1 1 314.038 *314.0412* 314.0412@1.9600358 1 1 1 1 1 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 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 1 314.0412 *314.0447* 314.0447@1.9624271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1136 1 1 1 1 1627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1453 1276 1844 1 1 1 1236 1 1 1 1 1 1 1 1 1 1 1 1654 1467 1 1 1 1 1 1 1 1 1 1 1 1 1506 1 1185 1482 1 1 1369 1100 1037 1 314.0447 *314.0468* Clorazepate 5887 6087 5614 5663 7617 7413 11770 12054 9774 9997 7876 7374 8731 9240 5503 5862 12533 12239 6082 6204 10488 10091 12184 12084 8148 7454 10938 9917 5967 5611 9199 10189 5357 4668 9073 9844 8469 8337 9630 10538 8944 8136 8315 8229 5026 4753 9227 9491 6645 6606 10431 11388 7770 8237 11249 10643 4906 5275 11104 10592 11261 11824 7320 7969 7530 7264 7289 7907 8977 9789 3813 3861 9386 9076 6660 5906 7967 8052 13274 14076 6744 6747 6943 6699 6010 5532 6170 5049 21733 22291 C06921 314.0468 *314.0492* 314.0492@2.9807627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2212 1 1 1 1 1 1 1 1 1 1 2666 1 1 1 1 1 1 1 1 4020 4155 1 1 1 1 2737 1 3790 4119 3034 3542 2155 1 3064 3141 1 1 1977 1 314.0492 *314.0729* 314.0729@2.1660354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1651 1738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2812 2990 1 1 1 1 1 1 1 1 1 1 1564 2232 1587 1 1 1 1 1 1602 1904 1 1 314.0729 *314.0855* 314.0855@1.027891 1 1 1 1 1 2320 1 1 1 1 1 3373 2194 5572 1 1 1 3747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6362 1 2754 1 1 1 3336 2920 5393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2511 1 6282 1 3117 1 1 1 1 1 2861 3398 1 1 5903 4124 4310 1 1 314.0855 *314.1191* 314.1191@6.8217354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4997 5143 3127 3171 1 1 1 1 1 1 4632 3986 1 1 1585 1720 1 1 1 1 8932 8873 1 1 1 1 11247 10933 5188 4998 8994 9352 3151 3408 7973 7571 16825 16638 3297 3219 314.1191 *314.1402* 314.1402@5.2966022 1 1 2442 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.1402 *314.1728* 314.1728@2.0811837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2838 1 1 1249 1 1 1 1 1 1 314.1728 *314.1738* 314.1738@1.131145 1 1 1 1 1 1 1 1 1 3487 1 1 1 1 1 1 1 1 3415 1 1 3080 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 2119 1 1 1 1 1 1 1 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 4795 1 1 1 1 1 1 314.1738 *314.1746* 314.1746@2.8502116 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.1746 *314.1844* 314.1844@1.0502834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3705 1 1 1 1 1 1 314.1844 *314.2338* 314.2338@1.090682 1 1 1 1 1037 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 1636 2376 1 1 1 1 1 1 1 1 1 1 314.2338 *315.0713* 315.0713@2.0545073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 315.0713 *315.1107* 315.1107@4.201103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3554 3998 1 1 1 1 1 1 1 1 1 1 1 1 315.1107 *315.1759* 315.1759@0.9713465 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 1 1 315.1759 *315.1794* 315.1794@1.9819314 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.1794 *315.8962* 315.8962@1.1895984 1 1 1 1 1035 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 1 1 1 1 1 1 1 1 1 1 315.8962 *315.9957* 315.9957@0.87719965 1 1 1 1 1 1 2666 2433 1 1 1 1 2846 2783 1 1 4100 3900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3592 3680 1 1 1 1 1 1 1 1 1 1 4193 4388 315.9957 *316.0627* 316.0627@0.77546144 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.0627 *316.1427* 316.1427@1.1550925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1405 1 1 1422 1201 1 1 1720 1 316.1427 *316.1709* 316.1709@1.9968624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2967 1 1 1 1 2134 2471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.1709 *316.1734* 316.1734@1.9746625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 316.1734 *316.182* 316.182@1.6311134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 316.182 *316.1843* 316.1843@1.1370317 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 1 1 2306 1 1 1 1 1 1 1 1 1 1 1 316.1843 *316.84* 316.84@0.6277093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2359 1 1 1 1 1 1 316.84 *316.8408* 316.8408@1.1734225 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1048 1342 1 1 1398 1 1 1 1 1 1 1 2328 1291 316.8408 *316.8412* 316.8412@1.4197375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1087 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 1 316.8412 *316.8414* C4 H6 Cl3 N O S4 1233 1 1 1 1 1 1 1 1 1 1 1 1430 1 1 1 1 1 1 1 1 1 1 1 1570 1508 1952 1 2103 1916 1582 1824 1896 1545 1 1750 1 1 1791 1 2218 2007 1651 1259 1 1 1 1920 1545 1 1468 1 2388 2252 1 1 1757 1767 1 1 2304 3190 1 1 1324 1 1 1 2453 2305 1538 2232 1 1587 1947 1948 2131 2407 2521 2922 2526 1787 1 1 2836 3265 3116 2383 2097 1477 316.8414 *316.8747* 316.8747@1.4129987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 316.8747 *316.8874* 316.8874@1.5383084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 8816 2547 3674 1 1 316.8874 *316.8903* 316.8903@1.5703048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3891 1 1 1 1 1 316.8903 *317.0477* 317.0477@5.8278847 1 1 1 1 1 1 1 1 1 1 1275 1225 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 1065 1 1 317.0477 *317.0879* 317.0879@2.2930875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2378 1 1 1 1 1 1 1 1 1 1 317.0879 *317.9315* 317.9315@0.9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 317.9315 *317.9539* C7 H10 O8 S3 5784 6221 6390 6037 4317 7156 7166 4824 5259 6128 5612 1 11519 1 6466 5381 7075 1 6721 5761 5514 6412 5480 7441 1 3721 5901 5336 12210 4862 5992 3745 4938 4908 6203 6059 6890 6286 6420 6199 5376 5202 4510 6287 11192 10539 6335 6472 6281 5502 6280 5532 6785 5647 5782 7455 7196 12667 6452 5729 1 1 5933 7283 1 1 7385 6715 6391 6598 1 1 7134 7076 1822 5401 6122 5560 3878 4218 1 6473 6268 5661 7060 1 4945 4547 4078 11283 317.9539 *317.954* Mitotane 1653 1 1 5215 7143 1747 1458 1585 6378 5367 1 5548 119338 1425 1315 6012 4962 11227 6097 1417 1572 1737 1731 3481 1 1 7306 1249 1595 1846 1471 1114 1 1493 5923 4856 1487 1222 4149 1 5388 5398 1 5683 1 1 7022 5271 1221 1 1 1 4818 1 6268 6296 4450 1 6317 1869 6493 11960 1 4125 1 1 2725 4912 1 5506 6386 2760 124421 5081 1138 6768 1 6621 1 5319 1 1 1200 5398 1 1 1 5939 1 1311 317.954 *317.954* 317.954@5.6889596 1 1 1 1 1 4748 1 1 1 1 1 1 1710 1 1 1 1 1 1 4370 6438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5327 1 1 1 1 1 1 1 1 1 1 1 6877 1 1 1 1326 1 1 1 1 1 1 5984 1 1 1 1 1 1 2857 1 1 1 1 1 6142 1 4523 1 1 1 1 1 1 1 5415 1 1 1 1 1 1 1 317.954 *317.9548* C8 H6 N4 O4 S3 123429 121029 119134 121424 119962 121446 124326 120317 126305 123830 123981 125342 1457 122411 120429 125858 130158 133449 123334 124425 122941 120832 124181 128689 119207 117916 120756 120158 115303 115611 123357 124798 130302 126173 122929 123225 121670 124685 129606 129995 129707 127404 122987 121569 119188 124086 122344 121403 128061 126915 169370 168034 1760 151731 146221 147793 133310 135590 130950 131298 167842 168875 128765 127719 156601 158942 149876 156784 128342 129036 191968 195218 2559 126147 139905 141000 172240 172617 183679 181084 182366 183997 176663 176395 184881 183736 172229 175165 143625 148428 317.9548 *317.9548* 317.9548@5.4873486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 317.9548 *318.0701* 318.0701@2.810455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2832 2703 1 1 1655 1895 1 1 1 1 1 1 1863 2014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.0701 *318.0717* 318.0717@2.4394321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.0717 *318.072* Lecanoric acid 7552 7858 8594 9272 5681 6032 9411 9453 7009 6770 11075 11738 7990 7622 9153 9118 11695 10946 13394 13402 10030 10422 9916 10352 5170 5060 6702 6721 6402 6299 10794 10953 11406 12665 10329 10275 14469 12864 10999 11950 11304 11721 7296 6787 7017 7166 10211 9678 14017 14077 3452 6095 9236 9863 7284 7291 5567 5795 12046 10751 10298 10592 9553 9304 15431 16100 20674 16272 9463 9909 10839 11129 7241 7262 11354 11242 6084 6830 12865 12330 9445 9633 6215 5764 16154 16274 7364 8092 9086 8687 C02868 318.072 *318.0864* 318.0864@3.0606112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4605 4253 1 1 1 1 1 1 1 1 1 1 318.0864 *318.0865* 318.0865@1.180748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2625 1 1 1 1 1 1 1 1 318.0865 *318.1052* 318.1052@5.482307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 318.1052 *318.1239* 318.1239@2.1247025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4506 1 1 1 1 1 1 1 1 1 1 318.1239 *318.1306* 318.1306@1.2900767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90740 93836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.1306 *318.1445* Zearalenone 1 1 1 1 1448 1379 1 1 1745 1559 1 1241 1612 1 2076 2442 1 1 1218 1 2962 3111 7166 7023 1915 1536 1 1 1934 2593 10940 11441 7070 7156 7729 7592 1726 1 4259 3957 7561 7522 6773 6029 10101 10289 5456 5776 7028 7145 6078 6136 10973 11771 6646 6652 6442 6073 2963 2630 5585 6026 6435 6758 5066 4609 4339 4363 4379 5065 4930 4405 4094 3766 5938 5352 6374 5709 7774 7653 3214 3846 4889 5055 4160 4654 4670 5008 4974 4669 C09981 318.1445 *318.1837* 318.1837@1.0612078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1378 1 1 1 1 1 1 1 1 1 1 1982 1911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1781 1518 1 1 1 1 1 1 1 1 1950 1286 1754 1881 5239 5792 1 1 1 1 1 1 318.1837 *318.8383* 318.8383@1.1774352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1122 1 1 1 1 1 1 1 1 1 318.8383 *318.8385* 318.8385@1.2464811 1 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 1510 1 1093 1 1 1 1 1 1005 1 1543 1300 1 1 1 1 1104 1 1222 1 1028 1 1635 1776 1 1331 1 1 1 1 1 2603 2078 1 1223 1814 1 1386 1647 1259 1447 1 2070 1991 1 1 1774 1 1849 1 3154 1 1070 1312 2216 1917 1 1 1 1 318.8385 *318.8825* 318.8825@1.5149668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3356 4287 1 2979 1 1 318.8825 *318.8868* 318.8868@1.6162295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2467 1 1 1 1 318.8868 *319.0161* C16 H11 Cl2 N O2 7972 7510 7176 7135 6767 8129 8717 8134 7607 8065 7347 7617 9634 9115 7907 7843 8099 7972 8781 8779 9066 9007 9074 8932 8393 7391 8825 8236 3739 8625 6979 7392 6249 6190 7385 7229 7326 7182 5680 6778 7796 9153 7206 7933 7987 8331 6916 7619 8546 8881 8541 7914 7134 6223 8096 9258 6869 6478 7681 8481 6577 6666 8266 7360 5640 5229 6850 6869 6095 6834 3007 2537 9276 8601 5775 4763 5320 3916 1067 3237 4710 4350 5184 4255 2693 3318 5438 3808 7391 7053 319.0161 *319.0163* 319.0163@2.3170416 1 1 1 1 1 1 1 4056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 319.0163 *319.0167* C9 H11 Cl2 N7 S 2977 5145 6271 3652 4860 4697 5130 2351 2174 3875 1803 1 2494 8494 1005 4032 6493 6409 1762 6643 9587 11756 4203 3770 12986 7720 1 9871 9565 7209 4687 4924 2656 2988 5687 4998 2565 2541 2770 2765 5488 6022 3728 3482 2672 3270 4129 4378 7045 7747 13299 13807 7916 7518 1 6656 6686 9559 2987 4765 11909 12062 3859 2628 9292 11646 16398 13374 3566 3387 10222 8075 7238 8845 7704 2664 12753 12275 4696 13038 13094 13716 12350 7351 11212 11173 13555 10255 9315 9520 319.0167 *319.017* 319.017@2.9112968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1650 1 1 1 1 1 1 1 319.017 *319.0192* C22 H6 Cl N 5912 1 1 5603 1 6120 8853 3884 4874 5509 3940 1 6202 1 4871 1 5087 5127 4064 1 1 1 1 1 1 1 1 1 1 1 6096 5445 1 1 1 5177 5387 4628 2719 2773 1 5464 5377 6740 4746 1 5911 6064 1 1 1090 1 1992 2021 1 1 3139 1 3593 4761 1 1 3750 1 4943 1863 1 1 2910 1 3989 1 1 4655 1 1 1 1 1 1 1607 1 2006 6394 1 1 1 1788 3094 3340 319.0192 *319.0563* 319.0563@2.429196 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 319.0563 *320.0126* 320.0126@2.549015 1 1 1 1 1 4281 3932 1 1 1 1 1 3224 4851 3487 1 4256 1 1 2870 1 1 1 6140 13077 1 6215 1 1 1 1 1 1 1 1 1 1 1 2006 1 1 1 1 1 1 1 6197 1 1 1 1 1 1 4449 1 1 1 1 4422 1 1 1 1 3022 4643 1 1 1 1 1 5464 1 4583 1 1 9470 1 1 1 1 5742 6886 1 1 4405 1 1 8981 1 1 320.0126 *320.0129* Lorazepam - 2.8229904 3143 49722 46452 46023 45955 47739 48554 55377 49471 47093 46980 48317 59557 57572 5823 52393 52463 52503 9387 11189 2604 57691 8759 8012 51769 48711 59222 56805 42008 6296 46545 44336 3441 36789 46222 47797 3433 3405 7958 3904 50818 50690 47643 48458 49779 49340 45539 46570 50168 56102 52346 3549 41332 40857 48525 47264 43736 42286 8254 5873 41398 37579 46849 47288 32561 32225 2253 4518 38881 42034 6540 6158 52861 52698 35547 31257 1 5109 6334 9807 8566 8946 5749 7779 4826 6698 5345 6936 45403 49442 C07082 320.0129 *320.0129* 320.0129@2.4219902 1 1 1 1 1 1 1 1 1 1 1 1 1 8866 8031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20194 1 1 1 1 1 320.0129 *320.013* Lorazepam - 2.8873434 49609 1 1 1 1 1 6797 1 1 1 1 1 1 1834 52887 1 1 1 2618 55684 57607 1 58310 53726 1 1 1 1 1 55942 1 1 32963 1 1 1 45831 43498 39130 38540 1 1 1 1 1 1 1 1 1 1 1 51608 1 1 1 1 1 1 49560 52644 1 1 1 1 1 1 42423 37214 1 1 20602 22433 1 1 1 1 30412 27484 8983 14640 30275 28429 33650 29226 7263 18234 27649 22286 1 1 C07082 320.013 *320.013* 320.013@2.9084218 1 1 1 1 1 1 1 1 1 1 1 1 1 1006 1 1 1 1 60994 1 1 1 1 1 1 1 1 1 1 1 1 1 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 14480 2497 1 1 1 1 19005 1 1 1 1 1 320.013 *320.0132* Lorazepam 13180 14507 12735 20955 13233 26656 31343 33087 12744 20891 18735 11684 9218 7300 9335 14661 35237 32756 6991 8055 23443 27627 19151 16313 17110 15196 12153 25115 1 5639 23413 25722 1 11295 22925 27475 15472 18080 22897 19638 30348 17248 21944 21501 1 16299 28187 28213 20519 13103 85311 1 52433 47224 51835 44405 1 38636 28988 28698 69010 1 23478 21543 21321 76668 1 1 18653 25836 13882 79380 54278 49280 46611 54178 1 58416 1 20012 41758 1 85746 71185 1994 1 1 18867 53120 55542 C07082 320.0132 *320.0138* Lorazepam - 2.4245577 1 19801 19269 31414 26481 37633 11518 47574 26500 28920 27772 33648 37921 26547 25446 27316 32793 26953 30534 24623 50988 48603 38160 21965 49702 65826 28954 43766 56857 52223 29687 28126 14673 15672 22192 22781 26034 26456 21605 18262 33841 34386 31490 31979 35859 24371 19000 35821 35105 42083 7411 80693 3890 8817 13160 18512 28980 12108 25259 25472 4018 73706 21024 22961 47528 10681 75774 80752 22512 20780 48683 3360 2249 41542 1 5170 71883 7202 80326 72575 16678 74229 6394 6172 33481 67885 80106 53462 17722 19579 C07082 320.0138 *320.0335* 320.0335@6.8237514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1511 1863 1 1 1392 1289 1 1 1254 1189 2726 3061 1 1 320.0335 *320.0646* 320.0646@2.4644141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 320.0646 *320.1036* 320.1036@1.944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 320.1036 *320.1055* 320.1055@2.0312407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1509 1 1 1 1 1 1 1 1 1 1 320.1055 *320.1117* 320.1117@2.084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 320.1117 *320.1563* 320.1563@1.1948222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 320.1563 *320.2156* 320.2156@1.090786 1 1 1 1 1 1 1 1 1 1 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 1 320.2156 *320.9398* 320.9398@1.0918899 1 1 1 1 1 1 1 1 1 1 1295 1310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1826 2064 1168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1350 1626 1 1 1 1 1 1 1 1 1734 1536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1703 1667 1 1 1 1 320.9398 *321.0155* 321.0155@2.406807 7770 1 7381 1 9498 1 1 2128 1 1 1 1 1 1 1 1 1 1 1 1 1294 1 1 2885 1 1 9700 2270 1 1 1835 1 1 1 1 1 1 1 1 1 1612 3159 1 1 2126 1 1084 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 1 321.0155 *321.0159* 321.0159@2.282809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 321.0159 *321.057* 321.057@2.2533226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 321.057 *321.0714* C15 H16 Cl N3 O S 6534 5830 10006 7757 4850 6911 6176 9735 10718 6772 12946 11965 3633 3564 6503 5935 13130 8235 11121 7207 21294 18836 17325 16511 2682 3371 3621 6277 3623 2694 11469 11742 19158 20707 7504 7646 10180 10252 5192 4533 8859 6269 4190 4022 1 2822 5456 6757 18292 19173 9730 5671 11725 10218 5035 4681 3216 6829 1779 3951 2547 1 8294 9592 3208 1 23599 24905 3080 5426 3537 4565 5218 5645 7484 10901 3653 4281 13022 15262 15453 11534 4730 2737 20698 21156 7428 6953 3645 1871 321.0714 *321.0719* 321.0719@2.2389925 1 1 1 1 1 1 1 1 1 1 1 2306 1421 1 1 1 1 2457 1 1 1 1481 1 1 1 1 3108 1 1 1 1 1 1 1 1 1 1234 1 1 1 1 1 1 1 1 1 1 1 1 1 1789 2757 1 1866 1 1 1814 1 1 1670 1 1 1 1 1 1 1 1 3568 1041 1 1 1 1 1 1 1 1 1 1 1 2754 1 1 1 1 1 1 1 1 321.0719 *321.0721* 321.0721@1.964863 1 1 1604 1451 1339 1473 1 1 1582 1561 1494 1314 1442 1127 1 1 1 1 2047 2063 1 1 1552 1586 1 1 3824 3436 1 1 1918 1778 1934 1913 1284 1210 1 1565 3223 3551 1 1 1566 1636 1 1230 1 1 1 1 1 1 1 1 1 1 1896 1796 3151 1 1 1 1 1 1 1 1 1 1814 1665 12168 1 1 1 1 1 1154 1 1 1 1 1 1 1 2840 2853 1418 1596 1 1 321.0721 *321.1089* C7 H21 Cl2 N7 O3 1 1 1 1 1 1 1658 1446 1 1 1 1 1 1 1 1 1896 1 1914 1515 1 1 2010 1899 1 1 1 1 1 1 1 1 1 1 1 1 1657 1 1 1 2076 2069 1 1 1 1 1 1 1994 1 1 3460 1824 1 1771 1678 1 1 2074 2641 3408 3568 1759 1784 1737 1 1 1 1 1 3201 3229 1 1 1 1 2496 2673 4886 2887 1 4183 2607 2490 2699 2429 2364 2319 2860 3047 321.1089 *321.1098* 321.1098@1.9984643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1739 1 1 1 1 1 1 1 1 1 1 321.1098 *322.0097* 322.0097@2.8565938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.0097 *322.0103* 322.0103@2.3636677 5437 13110 12898 1 6260 1 1 1 5404 1 1 5414 1 2758 3593 1 1 1 1 3245 1 6112 1 1 1 1 6574 1 1 1 1 1 10325 10192 15586 1 1 1 1 1 1 8312 1 1 1 1 6261 1 1 4533 1 1 1 1 1 1 15230 6081 1 1 1 1 1 1 1 1 4616 1 7783 1 13302 1 8370 1 1 1 1986 11217 13759 1 7270 9394 1 8865 12841 4100 1 9588 1 1 322.0103 *322.0104* 322.0104@2.3955712 8586 1 1 1 11496 1 1 1 3698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6577 1 1 1 1 1 1 7982 1 1 14058 1 1 1 5138 1 1 1 1 1 322.0104 *322.0697* C9 H18 N6 O S3 4544 4343 6936 7212 6642 6662 4407 3321 7586 7987 6665 7023 7091 6922 2690 2847 1 1 10801 10890 4139 5188 8672 7716 4979 5230 18654 17669 1 5064 9941 9510 9016 8558 5818 5772 6162 6964 16378 16132 1 1 7670 6821 5760 6455 3423 3440 1641 1824 1 1 2539 2359 1 1139 9484 9283 1 1 1 1 1 1 5360 5441 1 1 9479 10077 1685 1765 1733 1739 1 1 7289 6576 1 1 1 2246 1879 1912 14809 13701 8160 8078 1 1 322.0697 *322.0797* 322.0797@1.9483738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2456 3623 322.0797 *322.0808* 322.0808@1.6918066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2178 2120 1 1 1 1 1 1 1 1 322.0808 *322.0809* 322.0809@0.94856876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2611 2409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.0809 *322.1027* 322.1027@2.989 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 1 1 1 1 1 1 1 1 1 1401 1 1 1 1 1232 1 1 1 1 1 1478 1769 1 1 1626 1 1 1 2287 2702 1 1 1 1115 322.1027 *322.1051* C17 H14 N4 O3 4516 4565 3773 3066 2377 2210 6163 6819 4018 4018 4240 4406 4436 3735 5255 5392 8077 8406 7551 7188 5042 5609 6956 7271 3492 3715 3425 3258 5502 5061 3195 4174 1 1 4677 3848 8404 8742 3861 3842 8449 8516 2476 2642 5032 6776 5405 5346 7960 8401 13200 13967 13398 13214 9932 10200 3584 3311 9652 9192 16629 15313 7734 7792 7665 8376 5344 5767 5621 5971 14924 14136 4643 4546 4880 4454 10725 11074 26986 26466 16597 16075 11191 1 10720 9932 8990 8563 13985 14303 322.1051 *322.1075* 322.1075@1.9508288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5906 5260 1 1 1 1 1 1 1 1 1 1 322.1075 *322.1777* 322.1777@1.0062244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1234 1519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.1777 *322.1799* 7-hydroxy Tetranor Iloprost 5663 5712 15198 14670 2606 2421 3551 2307 8374 7356 6566 5432 11859 9889 4804 4852 14013 14435 1 7681 13941 13096 7473 9675 4370 3401 8844 13940 9180 5598 5595 6196 12044 10081 4832 4489 4612 4749 5677 9803 4115 4265 6702 8004 4661 4727 8292 8114 6251 6533 8894 9358 6763 5860 78319 81969 6636 6610 109616 109895 11924 5903 10680 7354 7592 7488 5783 7453 3934 4251 6164 5534 5144 4564 25912 27030 10248 10548 25930 25465 20362 21999 12102 12379 19078 18428 6907 6727 5151 5230 322.1799 *322.2165* 322.2165@0.8032449 1 1 1 1 1 1 5086 5802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1466 1515 1 1010 1 1272 1 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1740 1747 8723 7546 1 1 1 1 1 1 2412 2792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1153 1683 1687 1 1061 1 1 322.2165 *322.9375* 322.9375@1.0926734 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 1289 1638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1097 1014 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 1020 1153 1 1 1 1 322.9375 *323.067* 323.067@2.17711 2093 1 1 2603 2198 2428 2148 1 1 1 1 1 1 1 1 1 1 4012 1 2752 1 1 1 1355 1 1 2522 3110 1 1 1 1 1 1 2225 2679 1 1 1 1 1 2313 1 1 1 1 1 1 1 1 1 3301 1 1 1 1 1 1 1 1635 1 1552 3222 3078 1 1499 1 1 2876 3002 1 1 1948 2041 2963 1 1 1 1 1 1 1 2099 2327 1 1 3278 3810 1 2041 323.067 *323.0695* 323.0695@2.1880717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2091 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 323.0695 *323.0816* 323.0816@1.5063895 1 1 1 1 1 1 1781 1857 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 1050 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 2277 1818 1 1 1 1 1 1 1 1 1 1 1346 1113 1 1 1287 1 1 1 1 1 1303 1713 1964 1753 1313 1238 1 1 323.0816 *323.0852* 323.0852@2.5421312 1 1 1 1 1 1 1 1 1083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1942 2142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2558 2692 1 1 1 1 1 1 1 1 1 1 323.0852 *323.1724* 323.1724@1.1049721 1 1 1 1 1202 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 9810 12896 1 1 7535 8182 36513 37106 1 1 2954 3074 1 1 1362 2154 1 1 5420 4095 28054 28394 49924 49491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3104 6827 1 1 1 1 1 1 1 1 1 1 77394 78798 28254 28327 1 1 1 1 1 1 323.1724 *323.1985* 323.1985@2.0395129 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 2034 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 1 323.1985 *323.2189* 323.2189@1.1985312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1668 1 1 1 1 1 1 1 1 1 1 1 3270 1 1 1 1 1 1 1 2018 323.2189 *323.8926* 323.8926@0.75424415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1883 1902 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 1598 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 1 323.8926 *323.967* 323.967@1.5189502 1 1 1862 1659 1 1 1 1 1 1 2365 1 1 1 1 1 1 1 1 1 1 1968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2320 2309 1 1 1 1 1 1 1 1 2289 1 1 1 1 1 1 1 1 1 1 1 1544 1 1874 1 1 1 1 1 323.967 *324.054* C13 H8 N8 O S 1 1 1844 1640 1 1 1886 2069 1 1469 2624 2577 1 1 1 1825 1 1 2836 2985 5821 5028 2118 1998 1 1 3102 4866 1581 2057 5019 4800 3986 3157 1921 1900 1990 1993 1 2084 2792 2340 1 1 1 1415 1 1787 7072 4559 3907 3659 2801 3049 2403 2376 1990 2905 1883 1 3500 6047 2792 2359 3242 3331 14224 14909 4367 3037 4067 4094 1804 1889 2162 2594 4231 3264 9074 4187 6411 7502 5916 5299 9062 7840 8192 7972 3300 3786 324.054 *324.0641* 324.0641@2.1003861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3166 2443 1 1 1 1 1 1 1 1 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 1 1 324.0641 *324.0698* 324.0698@1.702593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3900 1 1 1 1 1 1 1 1 2372 2052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2363 1 1 1 1 1 324.0698 *324.112* 324.112@0.82271117 1 1 1 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 1761 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 4400 4245 1 1 1785 1583 2263 3677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.112 *324.1638* 324.1638@1.119231 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.1638 *324.1701* 324.1701@1.113607 1 1 1 1 1 1201 1 1 1 1 1 1094 1 1 1315 1 1 1 1771 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 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 1 324.1701 *324.1765* 324.1765@1.003728 1 1 1 1 1 1 2248 1 1 1 1521 2120 3064 2268 4045 6186 6358 8045 1 1 2811 1 1 1 1 1 6310 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.1765 *324.1849* 324.1849@1.0441568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6280 6885 1 1 1 1 1 3147 1 1 1 1 1 1 1 1 1 1 1 3657 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 1 324.1849 *324.1853* 324.1853@1.9962189 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 1 1 1 1 1 1 324.1853 *324.1892* 324.1892@1.049975 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 4919 1 1 1 1 3605 1 1 2772 2444 2041 1 1394 3141 1 3508 4816 3464 2413 1 1 3035 3127 2217 1 1 1 1951 1 1 1475 2597 3227 1 1 5177 5417 1 1 4305 5667 2802 1395 3796 1 1 1 2418 2129 1 1 3849 2542 1 1 1 1 1300 2109 1 1 1 1 2923 3597 324.1892 *324.1959* 324.1959@1.978818 1 1 1 1 1 1 1 2211 1 1 1 1 1347 1 1 1214 1 1 1 1829 1 1 1412 1411 1 1 2491 1 1956 1791 1 1711 1 1128 1 1 1 1 1496 1258 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.1959 *324.1972* 324.1972@1.0630703 1 1 1 1 2111 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 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 1 1 324.1972 *324.1985* 324.1985@1.9798065 1 1 1 1 1 1 1 1 1171 1 1 1953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1212 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 1 324.1985 *324.1996* 324.1996@1.0544082 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 1 1 1 1 1 1 1 1 1 1 1 1 1 2827 2020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.1996 *324.2095* Tetracaine 1331 1594 1604 2122 1296 1762 2421 1 1 1365 2525 1 1 1 1311 1 1642 1336 1 1 1835 1814 1 1 1692 2368 1 1 1 1 1404 1 1 1 1836 2116 1 1306 1 1 1 1 1 1186 1 1 2475 1984 1 1666 1283 1118 1 1 1 1 1 1 1 1 1 1 1 1 1514 1303 1 3839 1 1561 1138 1114 1 1 1 1 1139 1 1 1 1023 1380 1 1 1399 1 1467 1 1 1 C07526 324.2095 *324.213* 324.213@1.9755647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1933 2538 1 1553 1487 1567 1668 1741 2700 2189 1 1 3765 1 1704 1 1 1 1923 2250 1647 1811 1 1118 1 1 1 1 1150 1423 1 1 1 1 1 1 324.213 *324.9503* 324.9503@1.4535123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 324.9503 *324.9504* C15 H3 N O4 S2 1 3208 1 2654 3916 3993 7879 8273 3160 2771 4115 6351 4009 3881 4054 5059 6316 7076 5653 5312 7063 7548 3010 2848 1 1892 4920 4902 4032 3824 4253 4139 3816 5753 4642 4392 4853 5105 1 2757 5847 5081 5165 4869 1 1 5061 4525 9382 8588 3800 5981 4328 4796 4272 3840 1 1 1 3669 13303 7727 6364 6207 6645 6378 5991 5319 2454 4247 10135 7926 5665 3961 5070 5275 6312 5944 4326 3108 7217 6294 9068 5053 5257 7194 7246 2605 5823 5336 324.9504 *325.0282* 325.0282@2.0526805 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.0282 *325.0302* 325.0302@2.0559494 1 1 1069 1 1 1 2171 1 1 1 2663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1823 1 1 1 2466 4531 5268 3043 3276 1 2145 1 1 1 1 2653 2989 1 1 1 1 1 1 1 1 1 1 2803 2801 1955 1980 2123 2051 1617 1 1 1 1 1 2434 3603 1 1 2096 2221 1 1 1 1 1 1 1 1 1 2949 1 1 1 1 325.0302 *325.0384* 325.0384@1.403853 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 1653 1792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1517 1542 1 1 1 1 1 1 1 1 1 1 4527 4067 1 1 1603 1917 1 1 1243 1 2043 2089 1 1 1 1 1922 2094 1 1 1350 2132 2045 2184 3460 3588 2658 2548 1 1 325.0384 *325.0651* 325.0651@1.9356775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 325.0651 *325.0986* 325.0986@3.256891 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 1 1 1 1 1 1 1 1 1 1 1 1 325.0986 *325.1883* 325.1883@1.0350238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1831 1553 1 1 1 1 1 1 1 13889 4431 4032 8185 7957 4635 5043 1 1 13039 13096 1 1 1 1 1 1 1 1 4144 1 1 8968 1 1 1509 1198 1 1 1 1 1 1 1 1 1257 1342 3762 3271 1 1 1076 1278 2190 2589 1 1 3963 3727 1 3621 1 1 1 1 2394 2326 4206 4169 325.1883 *325.1949* 325.1949@1.0402042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 325.1949 *325.9056* 325.9056@0.9794911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 325.9056 *325.959* 325.959@2.3655865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 325.959 *325.9613* 325.9613@2.3657935 1 1 1 1 1 1 1 1 1 1 1236 1304 1 1814 1573 1619 1392 1 1 1448 1 1 2195 1647 1 1 1 1 1 1 1 1 1586 1283 1 1 2286 2186 1755 1616 1230 1079 1 1165 1840 1807 1 1 1 1 1 1 1 1848 1 1 1 1 1701 1876 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 1 325.9613 *325.974* 325.974@2.3524098 1 1 1 1 1 1 1 1 1 1 1 1 1440 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 1 1 1 1 1 1 1 1 1 1 1 325.974 *326.0403* 326.0403@1.9676149 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 4507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.0403 *326.0464* 326.0464@2.1606045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 326.0464 *326.048* C17 H11 Cl N2 O3 1157 1275 3001 3155 1 1 2592 2148 1740 1 3920 3877 1 1231 1440 1283 1890 1067 1 1 1 1296 1 1380 1180 1201 1 3972 1 1045 3273 2410 2013 1738 2568 2389 1701 3793 1263 2655 1879 2122 1181 1143 1720 1511 4342 4123 2184 1738 1478 1183 2191 2270 2258 1995 2778 2589 2640 3155 4218 3503 4028 3769 3346 3490 2958 3751 1 1 4737 4144 2271 2771 2600 3049 1 2610 1 1 3248 3196 2255 1737 5698 1 2065 1 1969 1490 326.048 *326.0495* 326.0495@1.9174583 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 3417 2008 3512 1560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1899 1604 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 1 326.0495 *326.0526* 326.0526@1.9613583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2688 1 1 1 1 1 1 1 1 1 1 1 1 1 326.0526 *326.0595* 326.0595@1.959976 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 1 3367 4319 1 1 1 1 1 1 1 1 5773 3639 1 1 1 1 1 5689 1 2348 1 1 326.0595 *326.0671* 326.0671@2.076476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3822 1 1 1 1 1 1 1 1 1 1 1 326.0671 *326.1044* 326.1044@2.8990984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3387 3286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1044 *326.109* 326.109@0.825032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 326.109 *326.1875* 326.1875@1.1618664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5893 1 1 1 1 1 1 1 1 1 1 1 1 1 6943 1 1 1 1 1 1 1 1 1 1 1 326.1875 *326.1892* Isoacitretin - 1.116818 9775 26380 12774 1 11147 22528 11335 1 21456 19480 1 31341 1 12852 14903 10977 15959 15210 7391 6327 10655 1 1 9461 10694 1 1 9777 18650 22257 1 1 20878 22909 12160 14258 1 1 11106 1 1 15941 1 1 1 1 1 1 20261 8430 12780 19030 10110 4758 1 5644 1 5951 6809 7410 1 8171 1 1 8566 1 6967 1 1 1 11949 1 4051 1 1 5711 6048 6040 8608 9106 11051 6690 15136 1 1 1 1 10289 11434 7294 HMDB03039 326.1892 *326.1898* Isoacitretin - 1.1998972 11434 1 1 1 21437 1 12082 23123 13717 29776 17702 24649 22488 21776 10064 23268 17761 19039 29977 27464 22372 27870 24524 23126 24288 1 18476 26695 17145 13097 23309 14559 10204 10995 21817 1 30567 1 16638 21768 16746 13369 23414 23986 23107 14249 1 21312 6040 16192 7346 15593 22082 8094 12914 13066 19085 7381 12458 16840 18371 17591 14074 14641 10955 10387 6735 14510 12778 8547 7360 14349 14385 16531 13446 10657 11827 10348 7815 13589 5713 10524 5505 17460 7601 18888 12444 11810 9134 12789 HMDB03039 326.1898 *326.1898* 326.1898@0.67096525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9869 1 1 1 1 1 1 1 1 1 1 1 12654 1 1 1 1 1 10266 1 1 1 1 1 1 1 1 1 18447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25829 1 8732 1 1 1 1 1 1 1 1 1 1 1 1 24575 1 3584 1 1 326.1898 *326.1899* Isoacitretin - 1.3034887 1 1 1 13698 1 23128 24368 1 23694 1 1 1 38515 39025 22820 1 1 1 1 24202 27310 1 1 26318 1 1 1 1 38500 21127 1 1 22585 13167 21777 1 1 15614 18851 1 1 25986 27350 1 1 1 1 1 21902 18979 1 1 1 23397 1 11606 12289 16585 1 18696 12917 1 1 1 15245 15239 15882 21074 1 16808 13873 1 20239 21049 17191 17090 19182 1 21141 1 11511 12184 19380 1 13229 15565 1 16324 11415 12601 HMDB03039 326.1899 *326.1899* 326.1899@3.1120386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1899 *326.1899* 326.1899@1.405694 1 1 1 12746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 12271 1 1 1 1 1 1 1 1 326.1899 *326.1901* Isoacitretin 52035 52962 47794 54515 44041 42543 118814 120146 56871 57694 98889 103544 148599 147684 242373 244960 355870 360408 40796 39583 140445 145639 44264 43376 65578 61572 118851 118171 173310 170446 76618 62584 48230 44603 37224 32790 47474 52085 49006 52338 79959 81281 33722 37333 144446 146377 25889 30977 45008 43369 120726 121039 59313 58096 57431 57116 30724 30169 53981 55045 59020 61257 125982 126771 59303 57436 35165 37207 45088 46415 37901 37052 28910 29904 29001 26737 38386 36022 51200 48900 50083 56391 66025 64486 34790 32018 36400 4306 56123 57149 HMDB03039 326.1901 *326.1901* 326.1901@1.5073262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4523 10712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4526 1 1 1 1 1 1 1 1 1 1 1 9666 1 1 1 2650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7397 1 1 114639 114421 1 1 1 1 1 1 1 1 1 1 326.1901 *326.1901* Isoacitretin - 1.9727861 63312 59995 88831 90193 77711 80676 98053 98766 65281 61629 98301 98313 63986 63466 63071 59270 80182 77078 84038 81150 89187 89022 75445 73520 96018 84554 129037 132605 91479 99338 79997 79814 59520 56249 81111 84142 63689 64689 73767 73687 75927 71462 62547 62118 75956 68624 110200 97311 114069 68605 54343 54219 37954 36741 60886 59757 42608 43744 45629 43758 57350 54349 61275 59540 50946 54040 91057 90855 50207 54559 47432 44459 51558 53068 45838 48060 40115 45188 50297 45177 51832 56032 54268 57024 53698 49586 58946 57924 38688 39517 HMDB03039 326.1901 *326.1901* 326.1901@0.96230173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37194 1 1 326.1901 *326.1901* 326.1901@2.3131704 6166 1 1 1 1 1 1 1 1 1 1 1 1 1 2597 1 1 1 1 1 4400 1 1 1 1 1 1 1 1 1 1 1 10639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6503 1 1 326.1901 *326.1901* 326.1901@2.5245423 6079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1901 *326.1902* Isoacitretin - 2.0889266 67256 55808 40817 56834 51594 48455 80834 77525 46747 38951 59871 60323 46090 29964 73800 59892 69304 74213 24097 51227 64501 69062 35039 1 78775 89572 51630 49713 75159 74156 39265 53956 74324 70748 27083 71958 58592 81966 40784 58239 67821 82461 40660 53615 1 56865 1 56898 63862 36525 32648 34218 35112 26849 33099 29461 39038 18427 31423 36002 31786 33909 31619 37008 33413 32993 26349 25261 24910 27438 34419 33754 35473 51021 1 41073 37921 40400 28264 25355 27277 31999 38924 24557 32633 21131 21145 31514 33575 36953 HMDB03039 326.1902 *326.1902* 326.1902@6.863829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 326.1902 *326.1903* Isoacitretin - 2.8948605 53987 46796 45415 50358 39587 35254 47475 34278 47303 39448 37972 36846 38886 40704 48198 28598 56967 60463 41511 46609 40257 41195 41462 52525 36617 37183 38292 37063 39474 33170 41473 40507 45333 45646 43017 47443 40975 42880 46492 48296 51866 6379 39469 37611 49105 40841 39454 30152 56534 27804 38270 35712 34803 34028 40520 33688 24457 26484 32593 32087 32982 33044 31423 29252 31431 31016 37047 34806 23918 23105 34576 31728 29889 26456 35270 32171 30677 31682 29844 29473 32923 36059 33524 34627 28424 27270 28322 29303 23500 28320 HMDB03039 326.1903 *326.1903* 326.1903@2.6747727 9185 1 1 1 1 1 1 1 1 1 1 1 1 6476 9347 20377 1 1 1 7516 8890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9388 1 1 8237 11540 1 37831 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 1 326.1903 *326.1904* 326.1904@2.1357892 1 1 1 1 1 1 1 1 1 1 1 1 1 35072 1 1 1 1 44185 1 22037 1 1 1 1 1 1 1 1 1 1 1 1 1 40376 1 1 1 21638 1 1 1 1 32392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5595 1 1 326.1904 *326.3395* 326.3395@0.9540659 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.3395 *327.0468* C19 H9 N3 O S 1 1 1 1 1172 1845 1948 1 1 1 1 1 2988 3423 1 1 3159 3216 1 1 6163 6897 5792 1433 1938 2210 7333 7604 6849 6645 1 1 1 1 1 1 1 1 1 1 1400 1 1 1 1 1 1 1 4074 6376 6168 8586 1 3707 6261 5913 1 1 1 1 5618 5064 1 1 4375 2740 1 1 1 1 1 1 1 3059 1 1 5903 5824 8962 1 7464 7542 8579 7363 5818 2202 7900 8472 2848 3477 327.0468 *327.0484* 327.0484@2.3237655 1 1 1 1 1 1 2897 1 1 1 1 1 1 1 1 1 1832 1 1 1 1 1 1 1 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 1905 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 327.0484 *327.0931* 327.0931@5.839984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1483 327.0931 *327.0945* 327.0945@5.677278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2931 2553 327.0945 *327.1841* 327.1841@1.1238055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 327.1841 *327.1903* 327.1903@1.1786653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6349 1 1 1 1 1 1 1 1 1 1 1 1 1 3691 4893 1 1 3273 1 1 1 1 6202 1 1 1 1 1 1 1 1 1 2974 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 1 327.1903 *327.1927* 327.1927@3.3413737 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.1927 *327.1928* 327.1928@3.0295982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3095 1680 1 1 1 1 327.1928 *327.1931* 327.1931@0.701533 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.1931 *327.1934* 327.1934@2.1340733 1 1 1 1 1 1 1 7958 1 1 6790 1 1 1 1 1 1 1 1 1 1 1 1 14664 1 1 1 1 1 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 1 1 1 1 1 1547 1 1 1 1 1 1 1 1 1 1 1 3006 1 1 1 1 1 1 1 1 6111 1 1 1 1 6568 1 1 1 1 327.1934 *327.1936* 327.1936@1.4038064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.1936 *327.1937* 327.1937@2.0539212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.1937 *327.1937* 327.1937@2.638935 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.1937 *327.9028* 327.9028@0.9815742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.9028 *328.0431* 328.0431@2.3916306 6350 1 1 1 3473 3292 5508 1 2719 1 1 1 4764 9266 5878 5643 1 1 4630 7870 1 1 5573 1 1 5808 1 1 13280 13033 3078 1 1 1 1 3343 1 1 1 1 1 3056 1 1 4511 1849 2816 1 6617 12185 7437 1 1 1 1 10545 1 1 1 7390 1 1 1 1 1 1 1 1 2611 1887 1 4652 1 1 1 1 1 1 17184 1 1 1 1 5311 1 1 3426 1 3385 1 328.0431 *328.0432* 328.0432@2.3213494 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.0432 *328.0435* C17 H13 Cl N2 O S 1 5968 6915 6952 1 1 2211 11535 3303 3315 6326 6496 5001 1 1 1 5228 8867 3023 1 12023 12390 4402 5171 9560 4084 13555 14051 1 1 4205 7017 1 1 4294 3362 2125 1 2935 5457 8513 1 6058 5876 1 2546 2945 5548 5257 1 10996 17949 6876 7594 11644 2065 6974 7288 8326 1 9211 8484 1 4583 10433 10048 2654 13956 4278 3533 7358 2956 9140 9200 3575 5725 12081 10555 5844 4486 13154 12450 16113 10739 9831 10139 1 13464 9204 2650 328.0435 *328.1889* 328.1889@2.8925748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3438 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 1 328.1889 *328.1904* 328.1904@2.0691073 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1586 1 1092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.1904 *328.191* 328.191@1.0844595 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.191 *328.2164* 328.2164@1.0556237 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.2164 *328.2218* 328.2218@1.0572939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 328.2218 *328.2282* 328.2282@1.0750496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 328.2282 *328.2337* 328.2337@1.043695 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 2111 2266 1 1 1 1 1 1 1 1 1 1 4392 5178 1 1 1 1 1 1 3922 4091 1 1515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3084 1 1 1 1 2547 1 1 328.2337 *328.2375* 328.2375@1.042067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2694 2001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2801 1549 1 1 1 1 1 1 1 1 1 1 1 1 328.2375 *328.2523* 328.2523@1.6335537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3984 4265 1 1 1 1 1 1 1 1 1 1 328.2523 *328.2539* 328.2539@1.9733356 1 1 1732 2011 1 1 1744 1674 1 1 2590 2034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3340 3385 1 1 1 1497 1 1 1 1451 1 1 1 1315 1 1 1 1 1 1 2599 2056 1789 1822 1281 1 1 1 2770 2064 1 1876 1328 1491 2282 1329 2980 2892 1632 1978 1 1 1 1 1364 1224 2148 1 1287 1 1 1384 1271 1094 1 1708 1 1568 2046 1 2130 1833 1 1 328.2539 *329.1742* 329.1742@2.2106006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.1742 *329.1767* 329.1767@1.1887859 1 1 1 1 1171 1030 1 1 1 1 1 1 1 1 1 1 1255 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 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 1355 329.1767 *329.1793* 329.1793@2.011252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2447 1 1 1 1 1 1 1 1361 2198 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 3061 1922 1 1 1 1 1 1 1 1 1 1 1928 1210 2101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.1793 *329.1851* 329.1851@1.9844742 1 1 1 1 1 2673 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.1851 *329.1869* 329.1869@1.639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 329.1869 *329.9531* 329.9531@1.2041682 1 1460 1 1 1 1123 1 1 1131 1348 1 1 1043 1306 1187 1650 1057 1 1074 1138 1672 1368 1746 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 1 329.9531 *330.0065* 330.0065@1.9679924 1 1 1 1 1 1 1 1364 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 1 1 1 1 1 1 1 1808 1 1 1 1 1 1 1 1 2032 1 2268 1 1 1729 3291 1 1 1 1842 2649 1 1 1 1 1 1 2226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2318 1 1 1 1 1 1 1 330.0065 *330.0099* 330.0099@1.9669304 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 1844 1 1619 2058 1 1 1 1 1 1 1 1 1 1 1 2028 1 1 1 1 1 1 1 1 2709 1 1839 1 1 1 1 1 1 1 1 2041 1 1 1 1582 2147 1 1 1 1 1 1 1 1 1 1 1417 1 1 2203 2270 1 1 1 1 1784 1600 2825 2958 330.0099 *330.018* 330.018@1.1036441 1 1 1 1 1 1 1 1 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 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 1 330.018 *330.0853* 330.0853@3.6585808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5949 1 1 1 1 330.0853 *330.0914* 330.0914@1.050556 1 1 1 1 1 1 1 1 1 1 2308 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 36617 35683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3572 3201 1 1 1 1283 1 1 1 1 1 1 1 1 1 1 5588 6399 1 1 1 1 1 1 1 1 330.0914 *330.1511* 330.1511@0.8311857 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 330.1511 *330.1548* 330.1548@0.70010036 1 1 1 1 1 1 1 1 1 1 4207 1 1 1 3193 1 1 1 1 4729 1 1 1 1 1 1 4370 1 4452 1 1 1 4271 2058 1 1 1 1 1 1 1 1 4638 1 1 4452 1 1 1 1 1 2064 1 1 1 1 2725 2408 1 1 3898 1 1 1 1 4348 3639 1 3430 1 1 1 1995 2270 1 1576 1 1 3105 1 1 1 1 1 1 1 2157 2616 1 1 330.1548 *330.1554* 330.1554@1.2867142 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 1 1 1 1 1 1 1 1 1 1 1 1 3124 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 1 330.1554 *330.1581* 330.1581@1.6740311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7955 4124 1 1 1 1 1 1 1 1 1 1 330.1581 *330.1584* 330.1584@3.0645397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7822 3819 1 1 1 1 1 1 1717 1 1 1 1 1 2631 2086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5132 4050 6851 1 11174 5542 1 1 1 6306 3709 5742 7505 8430 1783 1 1 7868 1 1 1 1 1 1 6487 6039 1 1 3316 5161 1 1 1 1 1 1 1 1 1 1 330.1584 *330.1585* 330.1585@2.9236853 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 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 1 330.1585 *330.159* C17 H27 Cl O4 - 2.0239236 7774 5598 6406 1 6712 9805 6577 9429 5573 3526 7190 6309 6361 5075 5529 2646 6069 11917 3034 7387 8795 10861 3223 7066 10221 4409 6661 3287 3877 7129 3583 6277 3057 6695 8715 10941 5692 6470 5344 5450 15128 8449 7152 3329 4889 6167 14104 11352 5227 11993 10595 14008 8342 5200 8051 3951 3368 1 8095 9729 10221 6870 9229 5702 11191 16403 15173 10102 5407 6223 11302 10148 13121 13034 10935 1 11921 11942 9535 20987 7375 7350 6110 7899 7872 8451 4118 6459 11895 9613 330.159 *330.1592* C17 H27 Cl O4 6824 7138 6164 5840 9964 9723 11758 12511 9572 9453 10568 9452 14314 13848 10805 10926 10355 10579 15830 15867 12209 12308 14401 13236 6200 7682 6044 5981 6464 7119 11739 11575 14007 13972 10121 10455 9444 9620 12062 12249 11150 10972 9273 8916 7541 8187 9615 8263 15562 15331 11164 12116 18399 17854 8973 9239 9214 10037 7397 7567 19112 17662 5357 6581 8460 8717 7390 6767 7778 9324 7422 7270 7660 6705 5939 6893 9050 8200 11523 11876 7685 8891 9378 9030 6587 4083 8833 9237 6145 7294 330.1592 *330.1598* 330.1598@2.1563406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5060 1 1 1 3972 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 3699 1 1 1 1 1 1 1733 5649 1 6310 1284 1 3501 1 1 1109 1 1 1 1 2924 5019 1 1 1 1561 2856 1 3538 1 4789 1 3756 1 1 1212 4387 1 330.1598 *330.1604* 330.1604@2.2420309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5018 1 1 1 1 1 1 1 1 1 1 1 330.1604 *330.1634* 330.1634@1.2023271 1 1 1 1 4264 1 1 1 1 1 1 1 4634 1 1 1 4944 2155 1 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 3617 1 1 1 2679 1 1 1 3077 2204 1 1 1 1 1 1 1 1 1 1 1 1 1883 1 1 1124 1 1 2264 1627 2348 1 1 1 1 1 1323 1 330.1634 *330.1667* 330.1667@1.1073759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 2583 1 1 1 1 1 1 330.1667 *330.2665* 330.2665@1.631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 330.2665 *330.2715* 330.2715@1.0345114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1004 1069 1 1 1115 1028 1 1136 1137 1 1362 1 1 1 1 1 1 1 1 1 1 1209 1345 1 1 1 1269 1 1 1 330.2715 *330.9314* 330.9314@3.0216205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.9314 *330.9916* 330.9916@1.9738325 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.9916 *331.0846* 331.0846@5.746195 2203 2016 1473 1570 1380 1345 1946 1641 1637 1499 2041 1648 1158 1219 1034 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.0846 *331.1541* 331.1541@2.0587647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 2552 3501 1 1 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 2772 2392 1 1 1 331.1541 *331.1573* 331.1573@2.0575855 1 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 4601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.1573 *331.1648* 331.1648@2.0017824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 331.1648 *331.8911* 331.8911@1.0357132 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.8911 *331.9249* 331.9249@2.9866014 1 1 3938 15000 1 1 6838 10832 1 1 1 1857 1 1 5323 1 8839 1 1 3613 16791 2957 1 3766 1 4681 1495 1 4920 1 2276 2548 1 1 2693 6764 1 1 1 1 1 1359 1 3403 1 1 4052 8116 5889 1 5083 14903 10150 4907 13676 1 2455 5711 10099 7029 12197 1 1 2235 5792 1 11512 15156 1728 1 1 4946 10200 10874 9341 14074 1 1 1 1 6500 4008 1 1 1 1 1 1 1 1 331.9249 *331.9253* 331.9253@2.9575095 1 1 1 1 1 1 6226 1 1 1 1 4767 1 1 3194 1 1 1 1 4519 1 1756 1 3257 1 6899 1 1 1 1 1 1 1 1 1 1205 1 1 3329 1 1 1 1 4713 1 1 1 1 3151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3819 1 3416 1 1 4034 1 5809 1 1 1 1 1 2075 1 1 1 1 1 1 1 1 1 1 1 1 1 331.9253 *331.9256* 331.9256@3.181463 1 1 1 1 1 1 4456 1 1 1 1 1 1 1 1 1 1 1 1 1 3492 1 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 1877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3624 1 1 1 1 1 1 1573 1 1 4734 1 1 1 1 4799 4154 2832 1 1 1 1 1593 2115 1177 1854 331.9256 *331.9265* 331.9265@2.154132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1312 1 5898 2534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.9265 *331.9271* 331.9271@1.2156535 1 1 1 1 1629 1926 1 1264 1 1 1 1 1 1 1 1 1684 2881 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 2198 2456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.9271 *331.9695* C19 H5 Cl O2 S 2811 2463 2594 2565 2666 2676 2594 2744 2629 2561 2399 2759 2608 2641 2496 1 2870 2983 2519 2578 2617 2474 2613 2599 2645 2671 2606 2638 2405 2288 2857 2451 2840 2588 2812 2720 2443 2519 2895 2889 2690 2511 2621 2475 2721 2542 2531 2417 2571 2759 3851 3756 3223 3473 3098 2923 2820 2965 3010 2982 4049 3610 2656 2718 3601 3571 3411 3280 2913 3055 4541 4502 2499 2806 2871 3132 3872 4001 4619 4023 4091 4387 3985 4005 4454 4414 4363 3809 3508 3341 331.9695 *331.985* 331.985@1.9741037 1 1 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 1377 1498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1216 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 1 331.985 *332.0683* 332.0683@1.2054877 1 1 1 1 1601 1 1577 1195 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 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 1 332.0683 *332.0727* 332.0727@1.9505045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 332.0727 *332.0734* 332.0734@1.1982762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1722 1687 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 2551 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 2387 1 332.0734 *332.0758* 332.0758@1.9494338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1254 1 1 1423 1 2395 1348 1 1 1367 1444 1 1 1 1 1 1 2295 2918 1550 1147 1251 1 1 1631 1265 1323 1 1026 332.0758 *332.0844* 332.0844@1.6773571 1 1 1 1 1 1 1 1 1 1708 1 1 1 1 1 1 1 1 1 1 1 1 1938 1940 1 1 1 1 1 1 1 1 1837 1 1 1 1917 1825 1 1816 1 1 1 1 1 1 1637 1509 1 1 1 1 1957 2136 1 1 1 1 2146 1 1 1 1 1632 1 1 1 1 1 1928 2479 2202 1 1 1 1 1 1 2653 3389 1 1 1 1 2332 2408 1 1 2491 1045 332.0844 *332.089* 332.089@2.9745095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6814 5527 1 1 1 1 1046 2084 1 1 2886 2859 1 1 1 1 1 1 1 1 332.089 *332.1016* 332.1016@2.9890432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6973 6605 1 1 2232 2516 2341 2739 3111 3412 2335 1793 332.1016 *332.1063* 332.1063@1.6962974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6171 6901 1 1 1 1 1 1 1 1 332.1063 *332.1494* 332.1494@3.023351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 332.1494 *332.1545* 332.1545@1.1019008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 332.1545 *332.1556* 332.1556@2.027692 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.1556 *332.1963* 332.1963@1.0445065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2167 1 1 1 1 1 1 332.1963 *332.8849* 332.8849@0.9014103 1674 1730 1511 1694 1751 1 1 1 1 1 1204 1418 1 1 1 1 1499 1 1389 1 1415 1304 1 1 2330 2117 1962 1634 2061 1777 1756 1814 1 1536 1 1709 1 1 1 1409 1 1 1176 1 1438 1 1409 1 1 1 1 1 1085 1 1 1 1 1 1 1 1 1434 1244 1359 1 1722 1287 1 1759 1 1487 1 1428 1 1 1 1264 1657 4463 3243 1682 1810 1654 1804 1690 1633 1723 1876 1 1878 332.8849 *332.9242* 332.9242@3.0095491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.9242 *332.9256* 332.9256@2.9827852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1294 1 1 1 1 1 1 1 3254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.9256 *332.9417* 332.9417@1.1069514 1 1 1 1 1 1 1 1 1 1 1348 1308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 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 1 332.9417 *332.9577* 332.9577@1.9775324 1 1 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 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 1 332.9577 *333.0495* 333.0495@0.88956344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5213 4997 1675 1957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 333.0495 *333.0829* 333.0829@3.0880265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2806 3193 1 1 1 1 1 1 1 1 1 1 1 1 2474 2208 1 1 1 1 333.0829 *333.2335* 333.2335@1.0957453 1 1 1 1 1 1 1 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 1308 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 1658 1553 1 1 1 1 1 1 1 1 333.2335 *333.2496* 333.2496@1.1968248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3576 3064 1 1 1 1 1 1 1 1 1 1 1451 1319 1 1 1 1 1 1 1 1 333.2496 *333.9232* 333.9232@2.242226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 333.9232 *333.9272* 333.9272@5.5760083 1 1 1 1 1 2093 1 1 1 1 1789 1 1 1002 1 1 1 1 1 1 1 1 2532 1 1335 1 1 1 1776 1287 1 1389 1 2373 1 1 1 1 1 1 1 1 1321 1 1311 1050 1 1 1 1 1 1 1160 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 1 333.9272 *333.928* C6 H11 Cl N4 S5 3207 3491 3751 3033 3383 1168 2144 3745 3554 3676 2117 2454 3434 2222 3307 2508 2623 1 1 3749 3560 3406 1264 3202 1656 1591 3851 3269 1325 1912 3692 2316 2134 1245 1811 3635 2224 3272 3087 3911 3587 3559 2237 3524 2041 2107 3580 3272 2565 3419 4238 4500 2390 3862 3637 2571 3549 3256 3332 4068 3946 4115 2764 3596 3986 3272 3844 4101 3746 3802 4527 4873 3697 3407 3776 4074 1238 4075 4868 4520 4462 4619 4463 4228 4818 4961 4042 4571 3625 3519 333.928 *334.0192* 334.0192@2.5080829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2026 2513 1 1 1925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1796 1 1 1 1817 1 1 1 1 1 1 1 1 1 1 1 2045 1099 1 1 1 2270 1 1876 1745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1390 1 1728 1 1610 2074 1740 334.0192 *334.0289* C10 H10 N2 O11 21033 21022 21315 20844 22596 23209 23280 22443 23583 23597 23466 23108 25180 24699 24971 24679 24642 24413 21101 21394 24486 24219 24127 24669 25386 25922 26207 24803 21955 23353 25770 26079 29330 27794 28849 29322 27959 28184 27513 27093 25973 26550 29074 28456 28332 28394 27905 26578 27031 26539 29680 31214 28195 29252 28128 28533 30759 30780 28953 28422 27617 28164 25991 26722 31510 32296 27645 28431 26539 25710 23488 20840 28379 28062 27477 27358 24558 26653 14991 12976 29868 29297 28200 29055 29131 28979 27663 28326 30456 30435 334.0289 *334.0295* 334.0295@0.95307666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2654 1 1 1 1 1 1 1 1 1 1 334.0295 *334.0649* 334.0649@3.7746747 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.0649 *334.0654* 334.0654@3.7341049 1 1 1 1 1 1 1 2561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4029 6551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.0654 *334.0853* 334.0853@2.968348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 334.0853 *334.0998* Penicillin G 1 1 1 1 1 1 2159 2209 1 1227 1 1 1324 1235 1233 1452 1435 1 1 1192 1424 1639 1283 1838 2175 2005 1988 2194 1 1199 1 1620 1624 1973 1945 1 1616 1843 1676 1479 2945 2537 2729 2796 1639 1698 1400 1 1273 1 2978 2723 1 2326 1474 1421 2146 2635 1238 1564 1898 1969 2227 3034 2092 2097 1948 2126 1586 1683 1919 1516 2094 2043 2418 2469 1802 1709 21376 21635 2028 2110 2286 2483 2501 2700 2530 2685 3243 3119 C05551 334.0998 *334.1054* 334.1054@0.8157179 1 1 1 1 1 1 1897 1907 1 1 1 1 1 1 1 1 2160 2246 1 1 4368 4385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.1054 *334.1154* 334.1154@1.2933513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 334.1154 *334.1184* 334.1184@1.2361907 1102 1 1 1 1 1327 1037 1 1 1 1070 1 1 1 1705 1397 1553 1 1683 1332 1295 2035 1019 1382 1 1 1 1 1 1 1 1 1764 2087 1 1 1 1 1 1 1710 1 1 1 1 1 1 1 1444 1321 1 1 1 1 1546 1785 1839 1502 1607 1382 4245 6078 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 1 334.1184 *334.1195* 334.1195@1.0594982 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.1195 *334.1362* 334.1362@0.81852317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 334.1362 *334.1778* 334.1778@1.1888245 1 1 1 1 1 1 1006 1 1 1 1 1 1 1 1 1 1761 1768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2175 1269 1 1 1 1 1 1 1 1 334.1778 *334.2134* 334.2134@1.0969486 1 1 1 1 1319 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.2134 *334.2287* 334.2287@1.1008437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2017 1854 1 1 1 1 1 1 5615 1 1 1 1 1 1 1 1 1 4283 2097 1 1 1 1561 1 1 1 1 10071 1 8903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6153 1 1 1 1 1 1 1 1 1 1 1 1 1 6063 1 1 2944 2747 2918 1 334.2287 *334.229* 334.229@1.0964442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4038 1 7698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2841 1 1 1 1 1 1 1 1 1 1 1 8694 8628 3461 1 1 1 1 1 1 1 334.229 *334.8874* 334.8874@0.898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 334.8874 *334.9366* 334.9366@1.1065457 1 1 1 1 1 1 1 1 1 1 1015 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 1 1 1 1 1 1 1 1 1 1 334.9366 *335.0471* 335.0471@1.9369265 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 1785 1331 1 1 1 1 1680 1 1 1 1 1232 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 1205 1 1 1 1 1 335.0471 *335.0476* C24 H5 N3 10718 10691 12587 11786 11528 13782 1 5122 13441 15332 13418 14399 12525 15039 11249 10285 1 1 15246 17045 8552 8230 12957 14266 13471 6998 19229 19409 10886 11023 17650 17637 15222 20007 12479 13784 13671 14717 22665 22589 1 1 17006 14867 21844 14824 9299 9775 4681 4670 1 1 2073 6836 1 1 20671 20354 1 1 1 1 1 1 9135 9329 1 1 20263 20366 3307 1 5949 6491 1691 1030 12898 6997 1 1 1396 3419 3231 2363 16576 17701 12240 14199 2931 1947 335.0476 *335.0479* 335.0479@3.024735 1 1 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 1 1 1 3887 7934 1 1 1 1 1 1 1 1 1 1 1 1 1953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.0479 *335.0488* 335.0488@1.6689006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7955 1 1 1 1 1 1 2885 1 1 1 1 1 1 1 1 1 1 3706 1 6103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2555 1 1 6068 1 1 1830 1 1 1 1 1 1 1 1 1 335.0488 *335.079* 335.079@0.8035485 1 1 1 1 1 1 1 1 1 1 1 1 1 1528 1 1 1 1 1958 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.079 *335.0905* 335.0905@0.8049665 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.0905 *335.1251* C15 H13 N9 O 29577 28167 17263 16991 3980 3953 10145 10185 25923 26301 13543 14074 21354 21133 42366 41453 30446 30725 18328 19486 18516 18850 22385 22440 22156 21775 21631 20000 18761 18064 15282 14993 1016 1 10174 10379 21932 22394 16203 16944 13813 14343 3766 3806 16823 17107 18461 17386 25787 26865 30730 31345 27520 25575 40822 40941 14139 13734 22692 23618 38512 37562 14057 13345 25940 25073 22560 21910 22666 23425 52385 52869 7280 7627 14166 14368 30998 29389 27298 27543 38185 40089 13163 13646 17786 16529 23055 23678 19780 19796 335.1251 *336.0596* 336.0596@2.2660596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1846 2055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 336.0596 *336.0623* 336.0623@1.5457895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3820 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 1 336.0623 *336.0671* 336.0671@1.4921988 1 1 1 1 1 1 1 1 1 1 1235 1557 1138 1 1 1 1 1 4337 1 1 1 1 2077 1 1 1797 3230 1 1 1686 3821 3163 4444 1 1 2837 2683 2902 6376 1 1 3807 1 2310 2267 1 1 1 1 1 1 1 1 1 1 1 1704 1 1 1 1 1 1 1 1 1 1 2772 5073 1 1 1 1 1 1 3223 1982 1 1 1 1 1 1 1 4468 1795 1580 1 1 336.0671 *336.1067* C17 H21 Cl N2 O S 1 1 1 2049 1721 1 1958 2277 1917 2485 1 1 1 1 1 1 2817 2620 1 1456 1 1 1893 2290 1 1 1 1 1 1 1 1879 1384 1 2307 2409 4024 3895 1 1 2156 1 2822 2778 1 1 2906 2776 1967 2132 3921 4186 3696 3487 2844 3070 1 1807 3466 3515 4127 3709 3335 3071 2932 2927 2971 3204 2617 2686 4806 4584 2130 2193 2642 2507 2722 2852 1 1 3193 3370 1667 2646 3479 3584 1 2111 3519 4296 336.1067 *336.1089* 336.1089@3.03017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 336.1089 *336.1174* 336.1174@1.2207643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 336.1174 *336.122* C10 H20 N6 O5 S 133391 130741 79219 78355 17030 16763 48014 45377 120727 119956 63821 62486 99437 98104 200146 197436 141558 143830 89926 88250 88044 87871 105155 107205 102357 100987 102975 98120 89369 85995 67779 69730 3895 4332 47968 48437 101872 105704 74397 74502 66833 64500 15884 16273 76516 79265 82803 83222 121762 129081 147119 148003 127235 125230 193677 196124 66129 63693 108100 106558 179011 178520 65835 63966 117481 116475 105444 102024 103718 107563 252179 248862 33873 33452 62624 65103 141437 143016 133849 130473 183449 191342 62642 63636 77851 78717 108460 111570 92516 92369 336.122 *336.1926* 336.1926@2.1209834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 336.1926 *336.1972* 336.1972@1.1280128 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.1972 *336.2321* 336.2321@0.7972134 1 1 1 1 1 1 11158 10468 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 1 1 1 1 1 1 1 1 3781 3814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.2321 *336.2741* 336.2741@2.0470026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.2741 *337.0658* 337.0658@2.935368 1 1 1 1328 1 1 1 1 1 1 1 1 1 1 1 1220 1 1 1 1 1 1 1 1 1 1 1448 1813 1 1 2143 1 1 1 1473 2049 1 1 1 1 2136 2167 1 1655 1 1 1 1628 1 1 1 1 4028 1 1914 5344 2458 1 1 1 1 1 3277 1 7257 1 9557 6836 1 1 1 1 1 1617 3369 3497 1 1 1 1 1 6379 1 1 1 1 1 1 1 1 337.0658 *337.0665* Zalcitabine monophosphate 1 1 1 1 1 1 1 1645 1907 1 1837 1982 1 1 1 1 3122 3311 1799 2203 1527 1777 1402 1843 1 1 1 1 1 1 1 1 2344 2395 1 1 2053 1716 2179 2120 1 1 1722 1 1 1 2018 1 2681 2958 4433 4671 1 4220 1459 1 1 2508 2739 2417 8129 8639 1 3150 1 6496 1 1 2967 3022 6795 6234 1 1 1 1 3957 3911 1 1 6304 1 4260 3931 6681 6936 3832 4539 5044 5918 337.0665 *337.0713* 337.0713@1.6147567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.0713 *337.0723* 337.0723@1.5789708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.0723 *337.0792* 337.0792@2.958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2916 1 1 1 1 1 1 1 1 1 1 337.0792 *337.1034* 337.1034@3.0454113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4524 1 1 1 1 1625 1 1 5207 1 2104 1182 1 1 1 3242 2338 1 1 337.1034 *337.9071* 337.9071@0.75840944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1363 1446 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 2408 4020 1 1 1 1 1 1 1 1 1036 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 1 337.9071 *338.0006* 338.0006@1.1013789 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 1 1 1 338.0006 *338.0375* 338.0375@1.9701012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.0375 *338.0557* 338.0557@1.9572717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 338.0557 *338.0927* 338.0927@1.964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 338.0927 *338.1011* 338.1011@3.0402136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2414 2569 1 1 1 1 17697 19609 1 1 1 1 3073 6655 27264 23971 7177 7452 8108 8628 5877 6286 14138 16158 2290 3783 338.1011 *338.103* 338.103@3.1813495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3262 1 1751 1 1 1188 1 1 1 1 1 1 1 1 338.103 *338.164* 338.164@1.1887186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 338.164 *338.173* 338.173@1.1288571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1823 1647 1 1 1553 1225 1 1 1 1 1025 1 1 1 1 1 1 1 1 1 1074 1178 1504 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 1620 1741 1 1 1 1117 1 1 1 1 1 1 338.173 *338.1897* 338.1897@0.9837985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2203 2023 2942 4451 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.1897 *338.1958* 338.1958@1.9763025 1 1 1 1 1 1 1 1506 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 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 1 338.1958 *338.2012* 338.2012@1.9745333 1 1 1 1 1 1 1 1 1 1247 1417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1280 1506 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 1097 1 1 1 1 1 1 1 1 1550 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 1 338.2012 *338.2067* 338.2067@1.0830055 1 1 1 1 1 1 1 6136 1 1 1 1 1 1 1 1 1 1 1435 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 1 1 1 1 1 1 338.2067 *338.2103* 338.2103@0.8075104 1 1 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 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 3337 2736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2352 2134 1629 1439 1 1 1 1 338.2103 *338.2141* 338.2141@1.0870546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 338.2141 *338.2298* 338.2298@1.0849435 1 1 1 1 1194 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 1 1 1 1 1 1 1 338.2298 *338.9663* C18 H7 Cl2 N S 2700 1 1 1 1 1 2928 1178 1 1 2179 2433 1 1 1 1143 2836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2282 1 1 2414 2729 3979 3595 2881 1 3651 1 1324 1 1 1 3517 3316 1 1 1 1 1 3368 1568 2404 1 1 3710 3953 3352 3118 3540 3700 2303 2901 1 1 1 1 1 3472 2710 2650 2763 1326 1 1 1 3086 1 2524 1 1 2763 1 1 1 1 1 338.9663 *338.9663* 338.9663@1.9183362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 338.9663 *339.0315* 339.0315@1.9712448 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.0315 *339.034* 339.034@1.9592611 1 1 1 1 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 1070 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 1 339.034 *339.065* 339.065@2.9344714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.065 *339.0905* 339.0905@2.957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 339.0905 *339.0962* 339.0962@1.2001321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 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 2376 1912 1 1 1 1 1 1 1 2464 339.0962 *339.1201* C8 H19 Cl2 N11 1 1893 2051 1 1 1 4226 4453 1873 2157 2151 1882 1923 2017 1 1850 3008 2782 2923 3098 2974 2906 3520 3594 1809 1914 2439 2865 2721 2348 2318 2604 1 1 2401 2501 1968 2754 2590 2644 3535 3509 1824 2264 1423 1 3175 2818 2506 2428 5903 6395 3868 3653 2757 3125 1358 1 3841 3318 7048 6742 2879 2462 3375 3418 3221 3214 2885 3068 5195 4988 3039 3175 2169 2243 5703 5600 8383 8478 5524 5455 5401 5672 5604 5648 5391 5859 8117 8481 339.1201 *339.1202* 339.1202@2.3115473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1985 2028 1 1 1 1609 1 1 1 1 2172 2359 1 1 1 1 1890 1578 3362 3881 1937 2115 1 1465 2059 1 1360 1 2011 1980 339.1202 *339.1671* C12 H26 Cl N5 O4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51416 71592 58227 57349 51850 43938 54221 54159 20686 24444 34169 36527 22044 22113 49156 48551 32192 33600 70252 68720 41604 49847 30183 39519 14807 13308 20604 24638 11533 10091 10781 10174 17865 13465 15309 18459 14068 14051 45021 40625 27490 24679 25413 21269 48945 49653 41190 38699 67758 61472 44154 45141 14992 14757 33510 43480 12438 11699 24499 23872 339.1671 *339.1694* 339.1694@1.0585663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3522 3578 1 1 1 1 1 1 20229 1 1 1 1 8001 1 1 3828 1 1 1 4256 4297 1 1 9997 10410 1 1 10372 1 10417 1 3465 4606 3535 1 3539 4171 1 1 1 4741 3689 1 1 1 1 6859 1 1 1 5463 1 1 1 1 1 7582 1 1 1 1 9643 1 1 3286 5638 7120 339.1694 *339.1766* 339.1766@1.1456528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1756 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 2165 1 1 1235 1 1 1 1 1 1 1 1 339.1766 *339.2034* 339.2034@1.0779469 1 1 1 1 1 1 1 1 1 1 1 1 1379 1 1666 1860 1 1961 1 1 1 1 1254 1 1 1 1 1205 1766 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.2034 *340.0292* 340.0292@1.9740534 1 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 3102 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.0292 *340.0326* 340.0326@1.9667945 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.0326 *340.0401* 340.0401@1.9673926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1204 1049 1 1 1 1 1 1650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1355 1142 1 1327 1 1 1 1202 1 1 1 1 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 1 1024 1 1 340.0401 *340.1124* 340.1124@1.2960865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7843 8081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.1124 *340.117* C17 H16 N4 O4 1999 2155 2597 2537 2520 2469 4144 4304 2551 2730 2606 2740 1885 1623 1267 1 3892 3456 1 1500 2798 3372 2325 2771 3507 3897 3372 3677 2251 2350 3569 3500 1 1 3228 3804 2695 2523 1 3189 4017 4055 3105 2808 1 1 3951 4094 2407 2643 6830 6501 3898 3705 3804 3771 2510 2994 3674 3652 7863 9288 2889 2491 5201 5461 3809 3883 3290 3796 10730 10426 4546 4124 4268 4581 7873 6819 15726 15126 8724 7868 6360 6909 7970 8597 6170 5444 9130 9435 340.117 *340.117* C9 H20 N6 O6 S 7523 8121 10138 9930 8628 8620 18168 19109 9429 9695 10153 9755 10282 9179 7073 7685 8045 12649 12959 12765 13118 13374 15041 16073 9293 9260 12872 12937 11280 11645 11729 11606 6388 6751 12212 10909 12325 11962 11900 12340 15909 16731 10257 10813 7555 7413 14031 14633 11334 12169 27434 27879 16038 16141 14554 15390 8008 8206 17130 17178 31073 29943 12376 12805 15593 15366 12194 14580 12533 12835 22209 21944 13966 14528 9709 9719 25310 23860 38745 37201 25666 23735 24629 25372 24613 23828 24543 24817 37215 38844 340.117 *340.1182* 340.1182@2.4887679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.1182 *340.2053* 340.2053@3.2876253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 340.2053 *340.2055* D1-2-Hydroxymethylethisterone - 1.9729636 33318 32202 46743 48042 40947 43599 51561 49925 35019 31910 52997 48052 32934 34204 30514 30849 37609 40145 42138 41989 47163 47943 38504 38888 48930 45218 66263 67690 46118 49730 41495 39561 29077 29636 42689 42206 33848 36600 37338 36608 39942 37472 34660 31471 36956 34427 48778 50486 60550 35501 29072 29972 20772 17181 30044 31607 24159 23845 26152 24435 30929 31073 31680 31567 29175 28440 48115 47058 28526 28222 24480 22453 28957 28602 20955 26134 23415 23456 28695 25399 27998 29013 29248 29880 28516 27335 31044 31975 20904 19292 340.2055 *340.2055* 340.2055@0.8616286 1 1 1 1 1 1 1 1 1 1 1 1 1 7889 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 1 1 1 4210 11106 1 26270 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 1 1 1 7916 1 1 1 2053 1 1 340.2055 *340.2055* 340.2055@2.8237283 3706 1 1 1 1 1 1 1 1 1 1 1 1 1 22942 1 1 1 1 1 1 1 1 1 1 8969 1 1 1 13054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15434 1 1 1 1 1 1 13172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.2055 *340.2056* D1-2-Hydroxymethylethisterone 25434 25040 21965 24563 19435 22251 54229 56523 27642 27025 43911 42819 65949 65340 104322 101692 146904 145110 15903 17047 57342 58396 21865 25846 26926 27609 49070 49186 76595 72930 59487 48133 27744 29152 21672 22615 32983 33548 26513 29199 42380 40256 18395 17851 68416 67351 9403 17700 28282 17858 57024 30265 44945 39431 27310 27150 14912 17282 25781 25245 32834 29987 49717 48483 27847 29381 18299 19966 33504 26162 20502 20655 17395 15183 25190 24997 20647 24197 36532 34789 27443 27357 34453 25370 20676 23109 20752 18769 26141 25605 340.2056 *340.2056* D1-2-Hydroxymethylethisterone - 1.0877049 7041 8510 1 1 8873 11336 7526 7713 9431 11751 9195 1 7100 11067 10033 10239 11401 7641 1 9354 10186 8498 10244 9605 12115 6722 1 1 10170 9655 1 11841 13130 12256 12393 11207 7676 1 13176 11333 1 13648 1 1 1 8249 10657 12752 12739 8696 8742 10011 5708 8264 7887 7232 5745 1 5533 8205 10298 4305 6866 1 7683 14618 1 3597 2101 8784 9993 7905 7161 8485 1 1 7117 3987 2557 2472 6262 6211 6312 3567 5777 3521 1 7451 7703 6849 340.2056 *340.2056* D1-2-Hydroxymethylethisterone - 1.2925578 11153 8513 1 1 14854 14559 9563 8926 15177 8388 11924 10775 17672 20171 9276 11788 10242 11544 13679 13462 12775 12572 12279 9511 17665 1 1 1 15798 20005 12123 1 14524 11089 14234 13655 15293 17157 13021 11045 16649 10651 1 1 1 6715 15687 13125 13474 9965 9024 9075 9960 12463 9027 8291 4797 8248 4256 9138 5211 8596 7379 7724 6742 6238 10141 9971 6545 5816 2346 8569 8312 10198 11481 12803 8694 5463 10987 11175 5319 7760 8421 6900 10136 8602 6237 7556 5670 1 340.2056 *340.2056* 340.2056@2.1872036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6131 1 1 1 1 7261 1 1 1 1 1 1 1 1 1 1 1 1 3093 1 1 1 1 1 4904 1 1 1 1 1 1 1 1 1 10349 1 1 1 1 1 1 1 1 1 1 1 1 4942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6329 1 1 340.2056 *340.2056* 340.2056@2.2567146 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.2056 *340.2057* 340.2057@1.5596423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60795 60918 1 1 1 1 1 1 1 1 1 1 340.2057 *340.2057* D1-2-Hydroxymethylethisterone - 2.0888731 35282 32894 21659 28664 34449 36956 37036 41106 23606 31679 21597 35490 16925 33481 34215 29002 39479 25999 29429 27001 39040 37603 31418 29721 40957 29646 28577 25499 35842 33545 29168 29342 35038 36159 35678 1 32678 30498 30924 24397 39719 38753 41802 40968 33944 33333 21334 39536 28505 19169 16334 17230 19101 14982 15953 14913 18434 7606 23644 18611 14401 8977 20774 19741 15708 16373 17106 7759 15572 13946 11220 1 21359 15392 21081 21519 15727 18353 13083 15092 13933 12458 25422 20096 17324 17720 19626 11801 11913 15987 340.2057 *340.2057* 340.2057@1.1676236 7735 1 1 1 7244 8696 8650 1 1 1 8246 1 1 5731 5685 1 1 1 1 11442 7313 9352 1 7205 1 1 1 1 1 5972 1 1 6039 6558 8247 1 8650 1 5798 7105 1 6804 1 1 1 1 2609 1 3077 1 4591 1 4680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3728 1 1 1 1 2031 1 1 1 4379 1 1 1 1 1 1 1 1 1 1 2730 1 1 340.2057 *340.2058* D1-2-Hydroxymethylethisterone - 2.898744 25195 19859 24382 23504 17555 11692 11502 20984 24993 21980 21076 22503 21274 22155 2516 20996 26257 26793 19534 20408 20801 24218 25700 25288 23505 10047 19192 15854 1 6421 20448 20714 23524 21204 23370 23135 19143 19241 24087 22006 20663 18753 18846 17615 22536 21716 7105 21252 27694 14609 20847 20626 16101 4776 21740 19441 10498 14470 17551 17704 18822 20275 14350 16111 14774 16631 16924 18690 13591 12344 17990 15822 13748 12515 15330 17766 17179 16586 14800 14701 17612 17820 19103 12060 15423 16211 16353 16516 13278 12726 340.2058 *340.2058* 340.2058@2.5811954 2569 1 1 1 1 1 1 1 1 1 1 1 1 3923 6159 1 1 1 1 1 4061 1 1 1 1 1 1 1 1 1 1 1 2973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.2058 *340.2065* 340.2065@3.684853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.2065 *340.2415* 340.2415@1.0945003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5615 4690 1 1 1 1 1 1 340.2415 *340.3614* 340.3614@0.946271 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.3614 *341.0309* 341.0309@1.9728296 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.0309 *341.1211* 341.1211@2.4880583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 341.1211 *341.2072* 341.2072@2.074795 1 1 1 1 1 1 1 1 1 4949 1 1 1 4897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 341.2072 *341.2073* 341.2073@1.2810979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.2073 *341.208* 341.208@2.9138646 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 2333 1 1162 1 1 1 1 1 1 1975 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 2360 1 1 1 1 1 1 1 1 1 2433 1 1 1 1 1 1 1 1 1 1 1 1 341.208 *342.0272* 342.0272@1.9718266 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.0272 *342.0785* 342.0785@2.025228 1 1 9924 17311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.0785 *342.0792* 342.0792@1.6021013 1 1 138925 152581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.0792 *342.0802* 342.0802@1.4033269 1 1 594227 577357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.0802 *342.1702* 342.1702@1.1203995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.1702 *342.1758* 342.1758@1.1225868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1911 1543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.1758 *342.2026* 342.2026@1.0394624 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 2513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2880 1 1 1 1 1 1 1 1 1 1 1 342.2026 *342.2052* 342.2052@2.0917315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.2052 *342.215* 342.215@0.9967499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2742 1 1 1 1 1879 4225 5262 1 1 2091 1 1 1 1 1 1223 1321 1 2376 1466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2065 1 1 1 2276 1 1 342.215 *342.2755* 342.2755@1.1443425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 342.2755 *342.2949* 342.2949@1.4055545 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.2949 *342.857* 342.857@1.1914823 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.857 *342.8896* 342.8896@1.1376961 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.8896 *343.061* 343.061@3.0422368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.061 *343.0813* 343.0813@2.0150523 1 1 2929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.0813 *343.1051* 343.1051@1.6425496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3573 3658 1 1 1 1 1 1 1 1 1 1 343.1051 *343.9916* 343.9916@1.6200842 1 1 1 1544 1 1 1 1 1794 1887 1144 1664 1 1 1 2033 1 1 1519 1454 1 1 1217 1 1 1 1 1 1 1 1669 1 1 1 1 1696 1 1308 1 1 1852 1 1 1952 1 1 1 1 1 1 2165 2256 1 1 1 1 1902 1 1 1 1839 1291 1767 1 1 1519 1 1 1 1 1 1059 1439 1866 2013 1 1 1 1907 1 1 1 1 1 1 1 1 1900 1 1 343.9916 *344.0124* 344.0124@3.2270489 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 1 1 1 1 1 1 1 2658 2846 1 1 1 1 1 1 1 1 1621 1 344.0124 *344.0405* 344.0405@1.9629833 1 1 1 1 1732 1597 1 1 1 1 1883 1589 1 1 1 1 1 1 1255 1205 1 1 1 1 1 1 3846 3175 1 1 2563 1925 1222 1142 1 1 1 1 1544 1594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1776 1496 1 1 1 1 1 1 1335 1 1 1 2169 2422 1 1 1 1 1 1 1 1110 1 1 1 1 1 1 3492 3079 1841 1675 1 1 344.0405 *344.0569* 344.0569@3.0292504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19806 20453 1 1 1 1 4677 4561 11110 1290 5927 6126 3442 4090 3435 3719 7673 7550 1 1 344.0569 *344.0593* 344.0593@2.991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9552 1 1 1 1 1 1 1 1 1 1 344.0593 *344.0614* 344.0614@1.9616182 1 1 2199 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.0614 *344.0758* 344.0758@2.0302138 1 1 3944 4491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.0758 *344.1019* 344.1019@2.16118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2633 1 1 1 1 1 1 1 1 1 1 344.1019 *344.1024* 344.1024@1.6505425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18892 18625 1 1 1 1 1 1 1 1 1 1 344.1024 *344.1442* 344.1442@1.2371379 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 1550 1772 1 1 1 1 1 1 1468 1409 1 1 1 1 1224 1 1144 1 1 1 1 1 1147 1 1135 1566 1251 1 1612 1903 1255 1 1779 1 1574 1388 1 1 1 1 1 1 1 1 1043 1 1 1745 1 1 1 1049 1 1 1 1 1 1 344.1442 *344.2192* 344.2192@1.124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 344.2192 *344.2336* 344.2336@1.1429666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1808 1 7636 1 1 4738 1 1 1 1 1170 1238 1 1 1 1 1 1 1 1 1 1 7682 9927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1403 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 1 344.2336 *345.108* 345.108@2.5098774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 345.108 *345.1135* 345.1135@1.2865266 1 1 1590 1598 1 1 1 1 1 1 1 1 1 1035 1 1 4364 4266 1 1 1 1 1 1 1 1 1 1 1 1 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 1710 1 1 8326 8120 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 1 345.1135 *346.0199* 346.0199@2.0558758 2516 2189 1 3767 1 1 1404 3709 1825 2313 1593 1832 1 1313 2530 2407 2634 2674 1 1 1882 1557 1344 1 2186 2197 1 1 1193 1 1 1 1 1 1802 1622 2244 2518 1 1 1585 1926 1 1 1607 1908 4511 2115 1 1315 1591 1870 2581 2182 2389 2593 1 1433 2326 2171 2638 2911 5656 2800 2476 2386 2070 1940 1 3542 2423 3900 1393 1677 2679 5310 2303 2188 1 1 2304 2214 1331 1 1761 3263 1 1 1 1 346.0199 *346.0789* 346.0789@2.8351264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21288 16225 1 1 1 1 346.0789 *346.079* 346.079@2.704029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39319 45331 1 1 1 1 346.079 *346.116* 346.116@1.7584662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3834 4829 1 1 1 1 1 1 1 1 1 1 346.116 *346.1614* 346.1614@1.1874127 1 1 1 1 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 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 1 346.1614 *346.162* 346.162@1.2840652 1 1 1 1 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 3412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.162 *346.2482* 346.2482@1.0209787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 346.2482 *347.0241* 347.0241@2.0633044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1967 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 2040 1 1 1 2044 1 1 1 1 1849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1893 1 1194 1 1 1937 1 1 1 1 1 1 1 1 347.0241 *347.0444* C10 H18 Cl N O8 S 1615 1 2517 2003 1 1 2014 1658 1 1537 3209 3127 1 1 2211 2366 2192 2505 2069 2133 2531 2565 1 1 1 1 2055 2477 1 1 3395 3514 3484 3965 2202 2339 2566 2581 1880 2099 1981 2426 2146 1 1 1 2349 1902 2383 1 1763 1 2129 2177 1 1 2310 2339 1 1475 3073 3074 2845 2913 3032 2786 4666 4574 1 2838 4640 3786 1673 1851 2732 2654 2074 2000 2283 2157 2324 2369 1666 1 3659 3084 3021 3001 1497 1 347.0444 *347.9457* 347.9457@1.9744978 1 1 1 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 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 1496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 347.9457 *347.9537* 347.9537@0.92166597 1 1 1 1 1 1 1 1 1 1 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 1 347.9537 *348.0241* 348.0241@2.0608752 2275 2476 1 1 1 1 1 1 2553 1 1 1 1778 1848 2680 1 3125 3040 1721 1 1637 1 2057 2610 2378 1 1 1 1 2076 1 1550 1 1 1410 1 1992 2422 1 1 2550 2788 1 1 1 1 1 1914 2597 2774 4158 3656 3979 3249 4697 3263 1 1 1 1 3403 3992 1 1 1478 2437 2694 2473 1 1 2226 2518 1 1 2076 1 1 1621 3090 2645 3972 4802 2138 2117 1 1 1 2079 2933 1 348.0241 *348.0308* C25 H4 N2 O 1342 1502 5225 5952 2681 1 1 1 3416 2370 5589 5802 1 1 1 1442 1 1 3296 2936 1 1 1 1 1684 1351 1 1 1 1 3405 4379 4648 5050 1 1 1 1700 7376 1 1 1 3220 1 2912 2999 1 1 1 1 1 1 1 1 1 1 3005 3191 1 1 1 1 1 1 1 1 1 1 3562 3876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3699 3462 1 1 1 1 348.0308 *348.0326* 348.0326@1.5984308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.0326 *348.0331* 348.0331@2.0421207 1 1 1 1 1 1 1 1 1 1 1 1 1 3282 1 1 1 1 1 1 1 1 1 1 1 1 8437 10003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 348.0331 *348.0376* 348.0376@1.9736774 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.0376 *348.0417* C16 H16 N2 O S3 7668 7765 10475 10692 6376 6930 8518 8944 8274 7720 13000 13715 5330 6101 8879 9237 10464 10803 9718 8443 14071 12953 5970 5766 5450 5516 8750 8900 4084 3765 18106 19361 18674 18760 11606 10487 10685 11792 9315 7866 10402 10341 8970 8748 7535 7292 9568 9825 10893 10915 7951 9001 10271 10319 6788 6533 8847 9258 7177 7031 13906 14528 13962 14067 13528 12371 22988 23455 12717 13003 18194 19774 7806 7899 13228 14753 9932 9674 6966 8862 10402 6532 8250 8256 17374 16331 13519 13535 8913 8146 348.0417 *348.0425* 348.0425@2.0696073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4022 1 1 1 1 1 1425 1 1 348.0425 *348.0514* 348.0514@1.971812 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.0514 *348.0594* 348.0594@1.9589303 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 1 1 1 1 1 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 1 348.0594 *348.0792* 348.0792@3.9692972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 348.0792 *348.081* 348.081@1.9594526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.081 *348.092* 348.092@1.9500636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1707 1 1 1 1 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 1272 1 1 1 1 1 1 348.092 *348.1009* 348.1009@1.9570819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1609 1 1203 1 1 1 1 1 1 1 1 348.1009 *348.1128* 348.1128@1.6025683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2090 2387 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2236 2287 1478 1 1 1 1 1 1 1 1 1 2367 2355 1 1 348.1128 *348.1201* 348.1201@1.6050779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3590 3499 1 1 1 1 1 1 1 1 1 1 348.1201 *348.1266* 348.1266@0.7929405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5017 4211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.1266 *348.1734* 348.1734@1.048745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 348.1734 *348.1798* Ala Met Lys 1 1 1 1 1146 1053 1063 1 1 1198 1207 1009 1 1 1 1 1435 1815 1 1 1442 1371 1 1 1 1 1105 1 1 1 1244 1086 1366 1420 1 1 1 1 1 1 1 1526 1 1 1 1 1008 1 1 1 1952 2367 2265 2215 1395 1 1 1 1395 1 1820 1572 1923 1344 2549 2152 1501 1 2644 1690 2030 1674 1128 1201 1 1 1253 1551 2481 1 1707 2287 2904 2949 1 1 1710 1623 1373 1454 348.1798 *348.1862* 348.1862@1.058559 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 1 1 1 1470 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 1 348.1862 *348.2237* 348.2237@1.0885148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1022 1 1 1 1 1 1 1 1 1 1 348.2237 *348.2391* 348.2391@1.0909631 1 1 1 1 1 1 6050 1 1 1 1 1 1 1 9701 1 1 1 8629 1 1 1 1 6332 1 1 1 1 5964 6621 1 1 1 1 1 1 1 1 1 1 6007 1 1 1 1 1 1 1 4325 1 7479 1 7229 1 1 1 1 1 1 1 1 1 4576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4973 8356 8552 1 1 1 1 1 1 348.2391 *348.2851* 348.2851@1.630058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1709 1 1 1 1 1 1 1 1 1 1 348.2851 *349.0069* 349.0069@0.90653193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1434 1 1 1 1 1 1 1 1 1 1 349.0069 *349.0568* 349.0568@2.0198987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2637 1 1 1 1 5292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.0568 *349.0722* 349.0722@1.9613721 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.0722 *349.0819* 349.0819@1.9655452 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.0819 *349.0893* 349.0893@1.9463501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1291 1130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.0893 *349.9015* C6 H4 Cl2 N2 O9 S 1 1 1309 1372 1174 1480 1237 1552 1418 1709 1418 1448 1 1401 1178 1540 1692 1 1505 1395 1473 1 1379 1 1 1269 1475 1250 1 1 1556 1538 1518 1340 1425 1157 1372 1128 1265 1458 1579 1 1167 1399 1568 1252 1 1213 1697 1 1595 1693 1386 1399 1454 1342 1344 1660 1420 1693 1158 1356 1354 1362 1828 1669 1234 1390 1568 1723 1612 1678 1327 1 1370 1184 1493 1714 1912 2095 1639 1683 1635 1758 2013 1968 1833 1882 1522 1336 349.9015 *350.0245* 350.0245@2.952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 350.0245 *350.0794* 350.0794@1.9657968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2053 1 1 1 1 1378 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 1 350.0794 *350.0893* 350.0893@1.9470654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1777 1831 1580 1727 1 1 350.0893 *350.0927* 350.0927@1.9460845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1478 1042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.0927 *350.1003* 350.1003@0.836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3463 1 1 1 1 1 1 1 1 1 1 350.1003 *350.1087* 350.1087@1.9425259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1664 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 1826 1 350.1087 *350.1156* 350.1156@1.9371789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2009 1 1 1 1 1 1 1 4123 3366 1 1 1 1 1 1 1 1 1 2724 350.1156 *350.116* 350.116@5.2981014 1 1 1060 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 1 1 350.116 *350.2112* 350.2112@0.9405288 1 1 1 1 1 1 1 1 1 1 1 1 2552 3063 1 1 1 1 1 1 1 1 1 1 1 1 4903 4622 1054 1057 1 1 1 1 1 1 1 1 1 1 10540 10001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3347 3617 1 1 1 1 1 1 1 1 1 1 225900 224464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1066 1 1 350.2112 *350.2641* 350.2641@1.9664768 1 1 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 1254 1 1 1 1 1 1 1 1082 1 1 1 1 1 1614 1480 1343 1400 1251 1369 2203 2259 1099 1 1271 1 1 1140 1 1 1 1 1235 1025 1 1 1 1102 1 1105 1363 1184 1 1 350.2641 *351.1185* 351.1185@2.0552492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2068 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 2260 1833 1 1 1 1766 1 1 1 1 1957 1687 9457 9370 2358 2358 1671 1809 1 1 1424 1397 2301 2416 351.1185 *351.135* 351.135@1.9313431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2441 1 1 1 1 1 1 1 1 1 1 351.135 *351.171* Pirenzepine 2254 2041 2841 2682 2542 2397 3559 3541 2859 2497 1964 2053 3173 2998 2978 2851 2677 2884 3678 3601 7925 8148 7473 7758 2473 2648 3732 3502 5235 5219 7230 7192 4524 4898 4222 4125 2262 2572 2477 2638 7161 7013 2719 3005 2178 2403 2608 1642 3653 3224 6050 5864 7683 7016 2733 3033 5284 4059 2847 2678 1674 1360 1532 1621 1 1431 3351 3466 3948 4256 1 1 2039 1872 1324 1294 1 1 4933 5336 3777 3754 4566 4887 1 1 3634 3727 6103 5230 C07508 351.171 *351.2537* 351.2537@1.201389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 351.2537 *351.26* 351.26@4.2997546 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 1 1 1 351.26 *352.1164* C18 H24 O3 S2 2462 2640 2866 1 1 1 3175 3185 2663 2880 2031 2248 2752 3134 1990 2100 3828 3911 9573 8821 2020 2090 2382 2309 2820 2365 3291 3098 1 1 5340 5074 1 1 1888 1973 2619 2615 3208 3286 2804 3563 1 1 1599 1758 3895 3430 2720 2783 4136 4869 5842 4389 2973 3142 3537 3408 3736 4616 6715 7248 5179 5427 6842 5900 9451 10219 5217 4851 8161 7892 1875 1799 2849 3097 7267 7307 45530 43830 11100 11329 6913 7671 5708 5821 6201 6132 10433 9941 352.1164 *352.1172* 352.1172@3.0333884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 352.1172 *352.1241* 352.1241@2.9751573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2082 1 1 1 1 1 1 1 1 1 1 352.1241 *352.1329* 352.1329@1.9343381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5685 1 1 1 1 1 1 1 1 1 1 352.1329 *352.1436* 352.1436@1.1039078 1 1 1 1 1 1 1 1 1 1 1 1 1147 1249 1 1 1 1 1330 1150 1258 1 1428 1 1 1 1 1 1 1 1 1218 1 1 1071 1167 1 1 1 1 1 1 1 1 1 1 1 1 1126 1402 1175 1 1753 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 1260 1 1 1 1 1 1 1 1 1 1 1 352.1436 *352.1446* 352.1446@0.81785166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.1446 *352.1536* 352.1536@1.1133087 1 1 1 1 1 1 1 1 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 1 352.1536 *352.1658* 352.1658@0.7635707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.1658 *352.1678* C15 H24 N6 O2 S 12241 11675 14906 13996 13631 14166 18043 18488 13468 13547 11323 10867 16160 15948 13972 14401 13214 14087 18789 19515 39325 39262 38221 39702 13880 13723 19172 18134 26105 26641 35732 37769 23634 24953 21779 21676 12091 13061 12513 13237 35274 36271 9863 9730 12010 12163 8787 9611 17538 17658 27321 29709 36227 36229 15281 15249 20040 20543 15214 14448 7684 7941 8088 8165 9340 9105 18120 18039 20804 21085 2327 2220 10475 10487 6992 6857 4744 5087 26144 26568 19026 19620 26151 27694 5156 4994 19190 20005 27694 27066 352.1678 *352.2193* 352.2193@1.6290574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2628 1 1 1 1 1 1 1 1 1 1 352.2193 *352.2295* C20 H33 Cl N2 O 3457 2510 7097 4789 6309 7491 7545 7172 3106 4387 8533 7752 2160 1978 2471 2048 5105 3446 5085 4890 6633 6426 2024 2348 4980 6856 8803 9650 6359 6775 6138 5672 2103 2074 6948 6339 2866 2972 2913 4444 3328 3257 3004 2807 5094 2729 8703 9688 8091 4901 4421 4553 2083 3474 6539 7491 3943 5583 5558 5731 6308 6071 8261 8040 5701 3993 13993 14061 6386 5848 2568 2549 7826 6080 4646 6566 2560 4108 2874 3008 4608 2573 4528 3157 4733 2549 6340 6126 1770 1748 352.2295 *352.2329* 352.2329@1.0581633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1961 1760 1 1 1 1571 1 1 1 1 1 1 1739 1745 1 1 1 1820 1 1 1 1 1 1426 1 1493 1 1 1 1 1 1 1 1 1738 1856 1922 1 1 1501 1256 1322 1 1 1 1 1 1 1 1 1 1 1 1 1 1599 1 1 1 1 1 1 1 1 1 1 2069 2426 1 1 1 1 1 1 352.2329 *352.2433* 352.2433@1.0592785 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 1 1 1 1 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 1 1 1 1 1 1 1 1 1 2096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.2433 *352.2656* 352.2656@1.4020988 1 1 4690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.2656 *352.3265* 352.3265@1.4031018 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.3265 *352.3326* 352.3326@1.4035554 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.3326 *353.1259* 353.1259@4.202577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 353.1259 *353.1838* 353.1838@1.0236437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1490 1552 1 1 1 1 1 1 1 1 1368 1513 1115 1 1 1053 1 1 1 1 1 1 1883 1 1 1 1 1 1 1093 1 1 1 1 1 1 1 1 1 1 1 1 353.1838 *353.9938* 353.9938@0.81880945 1 1 1 1 1 1 1 1 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 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 1 353.9938 *354.0863* 354.0863@1.9376748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 354.0863 *354.1316* 354.1316@2.2840924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3659 4142 1 1 1 1 1 1 1 1 1 1 354.1316 *354.1641* 354.1641@2.310894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4662 4616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.1641 *354.1742* 354.1742@1.0474472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 354.1742 *354.1752* 354.1752@1.045182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2732 1 1 1 1 1 1913 1 1 1449 2336 2053 1 1 1 1 1 1967 1713 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 1 354.1752 *354.2061* 354.2061@0.8375183 1 1 1 1 1 1 1 1 1 1 1287 1602 1 1 1 1 1 1 1 1552 1 1380 1 1 1 1 5490 5735 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 10762 11279 1 1 1 1 1 1 1 1 1 1 1 1 1275 1234 1 1 2123 1793 2300 2598 1 1 1 1 354.2061 *354.2104* 354.2104@1.6315602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3058 3011 1 1 1 1 1 1 1 1 1 1 354.2104 *354.2127* 354.2127@1.9809792 1912 2145 1 2166 1 1749 1 1 1812 1 1 1 1273 1778 1637 1724 1 2372 1 1 1 1 2030 1579 2852 1 1 1 1 1 1 1 1603 1354 1 1 1541 2074 2045 1 2367 2506 1794 1769 1 1407 1 1 1 1685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1234 1 1 1 1 1 1206 1 1314 1 1 1 1 1 1 1 1 1 1492 1 1 1 1 1 1 354.2127 *354.2133* 354.2133@2.0772345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.2133 *355.0779* C13 H17 N5 O3 S2 1978 2328 1537 1235 1763 1603 3608 3554 1682 1423 1 1119 1 1 1070 1 2532 2629 1450 1 2404 2530 1764 1787 1752 1823 1315 1539 1 1 1695 1971 1099 1277 3028 2956 3064 2824 2072 1828 3569 3575 1815 1448 1 1 3296 2973 1383 1584 2960 2742 3959 3782 2824 2945 2092 2218 4566 4734 5553 5561 4397 4382 5618 5246 2388 2376 1647 1573 5214 5399 3972 3518 4147 4162 2704 2502 7076 6631 2917 2848 3024 2706 2660 2957 1810 1771 6440 6412 355.0779 *355.1615* 355.1615@1.0891811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4187 1 1112 1198 1 1 1 1 1 1 1 1 1 1 355.1615 *355.1627* C18 H29 N O2 S2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5830 5122 6892 10103 4294 5305 5080 6344 4165 5417 4600 4356 4055 4144 5997 4844 5709 4068 9194 7962 5203 5301 1 1 8623 2627 3612 2850 5503 5156 1 1131 5103 4623 1 1 2496 1 2277 2574 4399 4220 1 1 2283 1449 1 4079 3150 4778 1 2621 1 1 1613 1744 1 1 1 1 355.1627 *355.2116* 355.2116@1.0822291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10448 3210 1 1 1 1 1 1 1 1 355.2116 *356.0605* 356.0605@1.2530615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2072 1 1 1 1 356.0605 *356.0641* 356.0641@2.0897675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1445 1376 1 1 1 1 1 1 1 1 356.0641 *356.0743* C16 H20 O5 S2 4848 5348 3387 2999 3364 3642 9870 9230 3913 3809 2241 2062 1566 1615 2276 2043 5650 6143 2652 2268 5936 5697 4348 4284 3931 3922 3171 2865 1436 1649 4215 4843 2580 3099 7352 7248 6492 6956 4971 4866 9448 10017 3373 3656 1967 2114 7204 7344 3501 3884 7635 6340 9357 8907 7531 8172 5429 5548 12147 12685 15320 14294 10751 10716 14507 14652 6592 6281 4933 4352 13078 13777 9579 9803 11294 12270 5819 5953 18338 17952 9675 7586 7701 6972 7967 7691 4915 4289 13815 14280 356.0743 *356.0794* 356.0794@2.0098612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2776 356.0794 *356.0864* 356.0864@1.624 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 1 1 1 1 1 1 1 1 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 1 356.0864 *356.1106* 356.1106@2.040192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1812 1 1 1 1 1 1 1 1 1 1 1 2157 2310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.1106 *356.1167* 356.1167@2.0406954 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 1901 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.1167 *356.1561* 356.1561@0.7059112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.1561 *356.1573* 356.1573@1.3271412 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.1573 *356.1581* 356.1581@0.7079197 2980 1 5099 1 3185 3832 2322 1 4249 1 1 1 1 1 1 1 4209 1657 1 1 1 1 1 2856 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 2042 1328 1 1 1 1 1 3389 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 1 356.1581 *356.1633* 356.1633@1.3279471 1 1 1 1 1 1 1 1 1 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 1 1 1 2497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.1633 *356.1645* 356.1645@1.0568833 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.1645 *356.1673* C19 H32 S3 6820 6602 1 1774 5672 7332 5178 7456 6826 5620 7728 5621 5815 8403 8881 5995 11487 8517 3348 3688 6572 7984 1 4062 3508 3542 3697 3753 5833 6251 5697 5649 4994 6193 5656 5815 5032 6172 5862 4611 3940 4819 3687 3585 4141 5480 3618 3207 5983 5749 8424 5225 5955 4622 6042 4846 7476 6040 8162 6406 6031 4822 2396 2823 5256 4849 3104 5195 5672 4318 5652 7085 4295 3898 3238 3156 4396 4628 4618 3277 3732 5876 5563 5666 2880 3504 2700 3046 3251 2684 356.1673 *356.8611* 356.8611@1.736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2482 1 1 1 1 1 1 1 1 1 1 356.8611 *356.9302* 356.9302@0.8880495 1 1 1241 1 1447 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 1244 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.9302 *357.1762* 357.1762@0.92252326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3540 3489 1 1 1 1 1 1 1 1 1 1 357.1762 *357.1768* C21 H27 N O2 S 1 1 1 1 1 1 2512 1 1 1 1 1 1767 1 1 1 1 1 3536 3620 1766 1 2705 2492 1 1 1 1 1 1 6415 5450 5769 4753 4626 3819 6474 3892 3213 4801 3912 3898 2737 3215 4097 3090 4080 1 4872 4537 3067 5683 3077 3864 1609 2696 1 2286 1273 1403 4660 3763 1 1262 1737 1779 2078 1389 2834 3304 3356 2594 1725 1406 2549 2423 2089 2266 4955 7319 4497 3512 1656 1585 2455 1952 1 2076 1633 1183 357.1768 *357.9243* 357.9243@2.1067777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 357.9243 *358.0616* 358.0616@1.6316512 1 1 1 1 1 1 1 5003 1 1 1 3309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2361 1 2152 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.0616 *358.1585* 358.1585@5.6345954 1 1 1 1 1 1 1 1 1 1 1 1067 1 1 1 1 1016 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 1009 1130 1 1 1089 1048 1 1 1380 1217 1230 1122 2326 2494 1008 1 1165 1366 1110 1185 1267 1 1219 1283 1017 1226 1184 1059 1109 1247 1661 1585 1358 1174 2800 3096 1 1 358.1585 *358.1955* 358.1955@1.084851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 358.1955 *358.2048* 358.2048@1.0786602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 1273 1 1 1 1 2019 1 1 2055 1 1 1 1 1 1 1 1 1152 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 1 358.2048 *358.2125* 358.2125@1.0692539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1975 1 1 1 1 1 1 1 358.2125 *358.2423* 358.2423@1.9861645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 358.2423 *358.2447* 358.2447@1.0251282 1 1 1 1 1 1 1 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 1774 2055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.2447 *360.0142* 360.0142@2.4362147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2532 2953 1 1 2713 2234 1 1 1 1 1493 1 1 1 1 1 1 1 1 1 1 1 1 3457 1 1 1 1 1 1 1 1 1 1 1311 1 1 1 1 1 3602 1751 2587 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 1 360.0142 *360.0647* 360.0647@1.1424116 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 360.0647 *360.2201* 360.2201@1.0916114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 360.2201 *361.0157* 361.0157@2.882714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 361.0157 *361.0167* 361.0167@2.347766 1 1 1 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 1212 1 1 1 2273 1 1 1 1 3241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3155 1 1 1 1 1 1 1 1 1 1272 361.0167 *361.0173* 361.0173@2.421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 361.0173 *361.1076* 361.1076@1.1705469 1 1 8359 8480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1784 2298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1685 1525 1 1 1 1 1 1 1 1 361.1076 *361.1218* 361.1218@2.051875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1563 1 1 1 1 1 1 1 1 1 1 361.1218 *361.2711* 361.2711@1.1902511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10816 11531 1 1 1 1 1 1 1 1 361.2711 *361.2804* 361.2804@1.2024016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 361.2804 *361.9783* 361.9783@5.747506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 361.9783 *362.0137* C14 H18 O3 S4 1 4228 11584 11414 4803 7155 7824 6681 5750 11520 5986 12888 1 1935 2370 1 6945 7430 2706 8584 15976 15683 2792 1 11996 6588 5675 14686 1 12226 5180 1 4616 3240 12343 5642 4207 3804 4089 1 1 5829 4985 13800 8446 8046 13734 12384 4581 1 1 19204 8729 8251 8916 11370 11379 8697 1 1 14782 16673 8750 3772 17189 13699 1 1 6175 11433 13342 14870 14413 1 1 9922 15808 15690 22678 15468 14144 11009 10030 2909 10897 13845 15597 1 10815 11891 362.0137 *362.0138* C24 H7 Cl O2 5628 1 1 1 9614 1 1 11684 6600 1 5858 1 11582 9388 7880 5933 8090 1 1 1 1 1 10462 4734 1 11839 1 1 13504 1 7250 1 1 5156 1 8208 5396 5482 3383 3840 6143 3905 7087 1 1 1 1 1 1 10031 1 1 2914 2473 4481 1 1 4241 5545 6028 1 1 1 4141 1 1 13115 14060 5365 1 1 1 1 1 4591 1 1 1 1 5109 1 4876 5551 12137 3312 1 1 17513 3928 4359 362.0138 *362.014* C22 H6 N2 O2 S 4704 4886 3008 4122 1 1 1 1 3509 4201 2440 3787 2725 2710 3060 1752 7125 5901 1821 3220 3703 3842 5502 6608 1 1 2400 2668 1 1 3134 2701 4677 4098 3373 2930 2314 2114 5514 5425 5459 4996 1 1928 2271 1987 1 1 6143 6399 5290 6429 6671 6116 6608 6834 6200 6057 6431 6816 6526 5189 4116 6626 4428 3829 5842 4913 4460 4659 3038 2945 4063 3935 5296 5740 3363 3750 1 1051 3823 4005 2646 1742 2191 2069 3394 3368 5257 5538 362.014 *362.0144* 362.0144@2.477445 1 1 1 1497 1 7088 1 1 1 1 1 1 1 1 1 1 1 6062 4965 1 1911 1 1 1 7377 1 6961 1 1 1 1288 1 3967 1 1 1 1 1 1 1 1 2037 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 2757 1 1 1565 1 1 1 1 1 1 1 1 1 1 362.0144 *362.0147* 362.0147@2.5609372 1 1 1 1 1 1 1 1814 1 1 1 1 1 1748 1 1 1 1 1 4193 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2607 2659 1682 1 2140 1 1 1 2629 1 3033 1 362.0147 *362.0154* 362.0154@2.8878453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1259 1117 1 1 1 2160 1668 3038 1759 1 1 1 1 1 362.0154 *362.1193* Catalpol 1 1 1 1 1 1 1 1 1 1 1 1 1635 1555 1 1601 1672 1 1411 1643 1391 1506 1949 1960 1 1 1 1 2209 1965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2239 2401 2630 2858 1 1 2640 2630 1 1 1656 1 1911 1 1 1 1 1 1627 1738 1 1 1 1 1 1 1 1 1549 1516 3182 1 3030 3017 1335 1414 1 1 1828 1798 1646 2301 C09773 362.1193 *362.1209* 362.1209@2.3365903 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 1130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.1209 *362.1306* 362.1306@1.5430597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1415 1677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1069 1 1156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1391 1 1 362.1306 *362.1411* 362.1411@1.180401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 362.1411 *362.1502* 362.1502@1.1373433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1270 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 1 362.1502 *362.1562* 362.1562@1.1278936 1710 1874 1300 1 1 1 1 1 2123 1 1 1 4582 3717 1 1 2805 1 1050 2729 1 1 1 1 1611 1 1 1 10142 1412 1 1 1 1 1 1 1 1 2096 2349 1 1 1 1 1 1957 1 1 1 1 1 1 1 1 1452 1 1 1 1423 1 4462 2907 1159 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 1 362.1562 *362.1566* 362.1566@1.3150225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.1566 *362.1629* 362.1629@1.1103674 1 1 1 1 1 1 2581 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.1629 *362.1687* 362.1687@1.1032093 1 1 1 1 1610 2244 1 1 1 1 1819 6983 1 1 8861 1 1 3168 2588 1 2545 8895 1 1 1 1 5972 1 1 1 1 1 1 1 1 1 6700 5225 1 1 1 1 1 1 1 1 1 1 8380 8237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3610 1 3523 1 1 1 1 1 1 1 1 1 1 1 1 3022 362.1687 *362.1795* 362.1795@1.0952145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2818 1 1 1 1 2022 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 2395 2090 1 1 1 1 1 1 1 1 1 1 362.1795 *362.1868* 362.1868@1.0945073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 362.1868 *362.1962* 362.1962@1.0901883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2955 1 2216 2468 1 1 1 1 1 1 1481 1633 1 1 1 1 1 1 1 1 1 1 3521 4165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.1962 *362.2031* 362.2031@1.0813208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4267 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 1 362.2031 *362.2229* 362.2229@1.643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2324 1 1 1 1 1 1 1 1 1 1 362.2229 *362.2295* 362.2295@1.9638507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1524 1 1 1 1 1 1 362.2295 *362.2455* 362.2455@1.9720503 1 1 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 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 1235 1 1 1 1 1 1 1 1 1 1 1662 1462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.2455 *362.2565* 362.2565@1.9701688 1 1 1 1 1 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 1372 1719 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 1178 1 1 1 362.2565 *362.9522* 362.9522@1.1437101 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.9522 *363.0292* 363.0292@2.8603137 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 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 1721 1 1 1 1 1 1 1 1 1 1 1929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 363.0292 *363.0651* C7 H21 N7 O2 S4 1 1 1 1 1 1 1153 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 1078 1237 1 1 1 1 1 1 1 1 1431 1204 1027 1189 1540 1092 1 1 1746 1597 2146 1882 1060 1 2122 1790 1381 1206 1 1 1156 1559 1048 1 1 1105 1 1005 3897 3286 1380 1 1539 1441 1341 1185 1 1 2585 2592 363.0651 *363.0872* 363.0872@2.0635438 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 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 1 363.0872 *363.1755* 363.1755@1.0794084 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 363.1755 *363.1822* 363.1822@1.0774941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1630 1 1 1 1 1 1 363.1822 *363.8764* 363.8764@1.2004675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 363.8764 *364.061* C14 H27 Cl3 S2 1012 1 1 1 1 1 1874 2159 1 1 1 1 1 1 1 1 1307 1068 1 1 1711 1774 1866 1 1 1 1399 1618 1 1 1228 1334 1 1 1217 1 1 1 1368 1366 2130 2026 1 1 1 1 1191 1278 1 1 3538 2118 1892 1894 2081 2503 1080 1117 2317 2197 2712 3260 1279 1656 3200 2666 2487 1987 1 1194 2132 1856 1493 1793 1359 1672 1836 1544 6313 6165 2892 2984 1 3544 2890 2670 2402 1843 4577 5375 364.061 *364.0802* C19 H8 N8 O 2858 2835 4409 3996 2193 2455 1 1 5271 4938 3756 4004 6277 6215 3972 3894 1 1 6611 6462 1607 1748 4670 4992 3257 3269 7560 7188 3592 3496 3587 4289 1547 1824 1812 1 2424 2637 6758 6507 1 1 1 2069 4234 4263 1 1 1 1 1 1 1 1 1 1 3631 3690 1 1 1 1 1 1 1 1 1 1 4425 4168 1 1 1 1 1 1 2642 2801 1 1 1 1 1 1 4477 3569 3450 3620 1 1 364.0802 *364.1115* 364.1115@1.6285968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16714 18062 1 1 1 1 1 1 1 1 1 1 364.1115 *364.1237* 364.1237@2.0577545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2954 1 1 1 1 1 1 1 1 1 1 364.1237 *364.1786* Ser Lys Met 1350 1340 1419 1404 1165 1304 1645 1899 1817 1588 1680 1880 1360 1575 1643 1739 1818 2078 1869 1569 1409 1430 1352 1668 1286 1241 1697 1452 1323 1425 1937 1822 2009 1996 1931 1929 1522 1539 1851 2122 2211 1788 2110 1768 1679 1829 1579 1881 1416 1271 1724 1957 1914 2075 2460 2184 2125 2378 1518 1618 3169 3178 2259 2319 3492 3149 2872 3002 2009 2141 2710 2788 2314 2113 2652 2863 2600 2680 3194 3469 3082 2933 3112 2718 2950 3127 3077 3334 2350 2508 364.1786 *364.8885* 364.8885@1.0862463 1 1 1 1 1 1 1 1022 1 1 1182 1190 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 1 1 1 1 1 1 1 1 1 1 1 1 1 364.8885 *366.0766* 366.0766@1.5133587 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 1139 1333 1 1 1 1 1 1016 1 1 1 1 1 1 2098 1 1 1703 1 1 366.0766 *366.0983* 366.0983@2.9655995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5548 1 1 1579 1738 1 1 5418 4020 2886 2370 366.0983 *366.1061* 366.1061@4.204606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5011 4920 1 1 1 1 1 1 1 1 1 1 1 1 366.1061 *366.1122* 366.1122@2.306153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 366.1122 *366.1828* 366.1828@0.7120719 1 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 1222 1 2198 2092 1 1 1 1 1 1 1 1 1220 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 1 366.1828 *366.2331* 366.2331@1.1906009 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.2331 *366.2518* C19 H39 Cl O4 5684 5535 5210 4751 16469 16309 11484 11551 10974 11669 13728 14180 9175 8003 19071 18607 20627 19040 12699 12052 12270 12080 9195 8407 10047 8948 5264 4419 14474 15520 8391 8870 14606 13157 16062 16130 8070 8033 16561 16881 12509 13952 8896 8986 4489 2895 4003 2455 12356 12163 22263 21931 12520 13244 13841 13740 1057 1 15918 17101 10384 10016 6118 6271 9940 9372 1766 2334 9715 9261 16615 16577 5996 5539 1 2756 5966 5658 5564 5889 6043 6213 14281 14071 1 1 8663 9206 6981 6340 366.2518 *366.8864* 366.8864@1.0856708 1 1 1 1 1 1 1095 1423 1 1 1687 1529 1 1 1 1 1 1 1 1 1181 1046 1 1 1 1 1 1 1 1 1279 1446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 1145 1 1 1 1 1 1 1 1 1125 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 1 366.8864 *367.1144* 367.1144@2.4277396 1 1 1 1 1 1 1 8226 1 1 1 1 1 1 1 1 11124 1 1 1 1 1 1 2545 1 1 1 1 1 1 1 1 1 1 12103 1 1 6864 1 1 1 1 1 1 1 1 1 1 8783 1 1 1 1 1 1 5224 1 1 1 6979 1 1 1 1 3691 1 1 1 1 5300 1 1 1 1 1 1 1 1 1 1 1 1 18447 1 1 1 1 1 1 12633 367.1144 *367.1145* 367.1145@2.8637872 1 1 1 8872 1 1 1 1 1 1170 1 1 1 1 1 1 9201 1 1 1 1 1 1 1967 1 1 1 1 1 1 1 1 1 6488 1 10292 1 1 6348 1 10074 1 1 11073 1 1 1 1 1 1 1756 1557 1 2710 3837 3936 1 1 1 1 1 1 7228 8223 2041 1 2803 1 1 1 1384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1894 1 7002 367.1145 *367.115* C13 H22 Cl N3 O7 - 2.8292532 10696 10425 10411 1384 13065 13703 17011 16825 11944 10912 11886 11197 16112 15066 11534 10992 1960 8691 14990 15327 15607 13845 15407 11698 15649 15531 15352 14633 20345 21207 11622 9244 6716 3005 10369 1376 10736 10651 2165 5760 1542 9994 11244 1206 11072 12503 13239 12490 11079 12354 1 1 3233 2456 2340 2358 6161 4665 6290 7242 1686 1781 1180 2134 1934 1749 6290 2139 6376 6683 4293 1 9283 10052 2954 2149 1 1 1 1 1 1 1 1 1959 1 1 5143 5811 2883 367.115 *367.1151* C13 H22 Cl N3 O7 10847 11832 12477 11765 19156 20567 30002 20840 13940 14861 11678 12014 10935 11176 7352 7106 6893 7652 5991 7137 23217 23481 11870 10297 24417 23379 23560 23037 12131 11516 16005 4600 6808 6647 2969 15169 8527 1737 10154 11010 4402 15352 12631 12750 6372 6412 4630 17257 3961 12799 27435 27553 11354 10983 15968 11028 6269 12683 5120 4119 26671 26525 8461 8168 22544 26805 20856 20855 5711 6531 27425 26757 29755 30305 3476 16413 26363 26819 72267 68764 23545 26709 13340 31997 21710 21840 27701 28394 29054 16919 367.1151 *367.1151* C9 H19 Cl2 N11 O 11366 13645 10157 11163 13678 12628 21140 19186 10457 10886 13479 15230 15080 14700 12520 12909 15300 14852 17595 19893 16139 15765 20181 21572 11306 11209 17146 14060 18162 18030 10625 10694 8980 5889 11032 10462 12208 12173 15533 14656 14097 13316 7710 8357 10563 10857 9512 10923 19720 17857 24715 25262 16600 16519 21892 20807 10798 11549 15119 14146 18752 19544 10632 7765 14599 15789 18711 24919 11750 12073 10988 15518 12447 14189 7190 7203 19066 19624 36016 36392 25475 30670 26970 26236 24277 25742 16014 14230 19040 22193 367.1151 *367.1665* C11 H26 Cl N9 O S 1160 1 1516 1730 1190 1 1586 1631 1508 1 1 1324 1722 1306 1255 1520 1832 1904 2200 2463 4023 3957 3636 3841 1288 1440 2335 2008 3188 3403 3907 4179 2407 2330 2947 2852 1949 1833 1698 2035 2608 2895 1 1284 1320 1241 1 1 1313 1 2571 2879 2553 2699 2309 2677 2842 2404 1440 1102 1 1 1 1 1 1 3121 2950 2387 2583 1 1 1526 1458 1 1 1 1 1842 1697 1589 1314 2144 2463 1 1 2279 2072 3209 3275 367.1665 *368.0448* 368.0448@1.2809894 1 1 1 1 1 1928 1 1 1 1461 1 1 1213 1084 1 1 2870 3095 1912 1297 1 1 1 1 1 1 1 3221 1 1 1 1 1 1 1 1 3300 1 1 1 1 3086 1 1 1 1 2376 1 5571 1 1 1 1 1 1 1 1 1 1 1 3260 2085 1 1 1 1 3450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1961 1 1 1 1 1 1 2314 1 368.0448 *368.0465* 368.0465@1.4090543 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.0465 *368.1116* 368.1116@2.4139898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52118 49466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18810 20710 53996 52986 1 30454 1 30492 1 1 1 1 1 1 66287 1 1 1 1 1 1 1 1 1 31849 1 28583 35334 1 1 1 27111 1 1 1 1 33300 37122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.1116 *368.1117* C17 H20 O9 50019 47296 55105 56738 87234 90523 136451 139839 67488 67258 57479 55651 51406 47995 33431 33647 28509 28667 29471 27329 107955 108170 59001 59934 110456 104557 105014 110347 54924 58133 73814 79291 9309 9149 16913 17532 35744 6893 42978 13576 72412 72547 61092 58388 28198 26905 14537 81538 59615 59126 126652 128585 51653 51711 74085 72031 23896 57614 17687 17157 121538 122077 11899 7854 122584 122853 91173 98518 20790 13770 128532 129605 136082 132804 69009 73436 125006 124356 344418 342096 112258 118617 144645 146623 101077 102091 129741 132576 138427 131509 368.1117 *368.1117* C17 H20 O9 - 2.6471548 59742 57938 46511 50578 59382 56589 87792 87401 49231 49521 63604 67171 74444 76766 65444 65294 70039 66505 88202 82867 63280 71218 98039 100307 60892 56692 69519 68098 85022 85604 44373 48430 37223 37300 49058 54247 50734 49579 65591 65157 67528 66027 39546 40822 46707 46246 49520 52068 93166 87050 119143 114917 81949 81740 99291 99767 47694 51053 73361 72738 90324 89553 43454 42685 67179 68653 107110 118285 57355 52892 79840 77594 51123 59030 32637 33158 89789 88606 177175 163645 128446 134508 129856 128325 120935 119964 98746 96770 100058 100861 368.1117 *368.1118* C10 H20 N6 O7 S 48815 43688 46331 49254 62660 57845 74285 72467 49861 46341 54412 51666 74687 72429 53946 48914 46419 37913 70910 70708 70485 66975 71935 62597 70507 68298 68342 67884 99936 102834 48139 41762 33032 29959 47589 50961 46553 48350 27108 26948 42690 41666 51076 52752 47601 56773 57599 54748 50862 56314 8359 8699 11736 8186 12806 12834 25086 19560 30305 33613 5077 6850 30711 29563 6648 5832 7268 10190 28915 32552 1642 3372 44408 45876 13973 8007 5175 3893 5841 4555 4411 5813 7197 7546 2315 2507 8119 8123 22454 24649 368.1118 *368.1118* 368.1118@2.8023539 1 1 1 1 1 1 1 1 1 5135 1 5894 1 1 1 1 1 1 1 7109 1 1 1 1 1 1 8272 1 1 1 1 1 1 1 4206 1 4610 1 6169 1 1 1 1 1 1 1 1 1 1 1 5773 7228 9644 5925 8268 7504 1 5644 1 1 1 6960 1 1 6071 5997 6285 1 1 1 1 1 1 1 5697 5406 1 1 1 1 1 2061 1 4785 1 1 7847 5258 8984 10727 368.1118 *368.1629* Testosterone sulfate 7510 7134 10909 10259 8253 8922 9884 9454 7373 7447 7426 6249 7684 8400 9275 7823 8090 8713 13955 14089 21499 23811 19652 19427 7244 7303 12545 11828 19496 19657 22124 18515 13009 15542 15426 16629 8795 9212 8410 8306 15089 14554 6695 6484 7454 6783 6204 6596 7293 7115 14535 13965 14165 14920 12922 12348 15842 15779 7724 7829 3725 4227 8025 7592 6844 8889 16778 15918 14025 14564 1347 1 9388 9440 3835 3743 1884 1889 8970 9343 10308 8360 12833 11682 2735 2302 10996 12060 18265 17279 HMDB02833 C00535 368.1629 *368.1678* 368.1678@0.8725092 1 1 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 1606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.1678 *368.2491* 368.2491@1.0808789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 368.2491 *368.2849* 368.2849@1.0825014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14877 14926 1 1 1 1 1 1 368.2849 *368.9313* 368.9313@1.6139793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1239 1 1 1 1 1 1 1 1841 1992 1 1 1825 1925 1 1 1 1 1 1 1 1054 1 1 368.9313 *369.0972* 369.0972@1.4765253 1 1 1 6195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.0972 *369.0978* 369.0978@1.5940832 1 1 10801 8736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.0978 *369.098* 369.098@1.4033287 1 1 41507 35336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.098 *369.1153* 369.1153@2.34512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6668 1 1 1 1 1 1 2955 1 1 1 3377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.1153 *369.1162* 369.1162@2.6942425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 369.1162 *369.1162* 369.1162@2.7604704 1 1 1 1 1 1 1 1 1 1 1 1 1215 1027 1 1 1 1 1306 1 1 1 1 1 1 1 1 1174 1 1 1 1 1 1 1015 1 1 1 1 1 1366 1 1 1 1 1 1 1 1 1596 1 1 1 1 1 1 1 1 1 1218 1 1 1 1 1 1 1 1 1217 1748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.1162 *369.2406* 369.2406@1.0069609 1 1 1 1 1 1 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 1336 1 1 1 1 1 1 1 1 1 1520 1 1 1 1 1 1 1 1 1611 1667 3343 3968 1 1 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 3142 3809 3836 1 1 1 1 1 1 369.2406 *369.2502* 369.2502@1.0843371 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 1 369.2502 *369.9774* 369.9774@0.75558186 1 1 1 1 1 1 4398 4461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1703 1745 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 1032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.9774 *370.0487* 370.0487@1.1942225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 370.0487 *370.1159* 370.1159@2.3409996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2810 370.1159 *370.1274* 370.1274@2.8531995 1 1 1 1 1 2732 3244 1 1 1 1 1 5405 4387 1 1954 1 1 1 1 1 1 1 1 1 1 3815 2438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4898 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 2340 1 1 1 1 1 1 370.1274 *370.1298* C17 H23 Cl N2 O5 3560 6750 1 1664 2075 7122 5655 5244 6872 1578 1 8759 4635 4385 12650 7010 6101 5261 6499 4356 9254 8450 9934 2441 5933 3978 4474 4670 1 1 1 7988 5554 2089 6446 7993 1 4770 9619 4093 5031 3293 5829 3526 2638 7169 3382 5388 2002 3455 1 1 1 1 1 1 1 1 2590 1 1 1 1668 1266 2462 1 1 1 1 3395 2575 5272 2997 5092 1 1226 2380 2422 1 1 4691 7700 4895 2934 2026 2915 1 2705 4106 6653 370.1298 *370.1319* 370.1319@2.9076624 6359 1 1 1 2454 1 1 1 1 6145 1 1 1 1 1 1 5759 1 1 7374 1 3437 1 8877 1 1 1 1 1 1 1 1 1 4785 1 1 1 1 1 1 2618 1 3704 1 5389 1 1 1 6717 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 1 370.1319 *370.1327* C16 H28 Cl2 O5 6690 6339 4998 6602 7501 7888 6596 7222 5445 7279 6317 6400 5866 5463 5444 4905 6475 5833 5759 6277 6460 6625 5140 5400 6224 6438 5600 1 5338 5686 5500 6094 9272 10000 7110 6864 6059 6107 6132 5345 4584 6921 7739 6775 5954 5354 6831 6760 6144 2875 3076 3040 3225 3364 3446 2625 3288 3089 4096 3717 2982 1 3459 3590 1 1 3156 3641 1 3904 3140 3361 3741 3355 4156 4631 3619 3674 2323 2046 1 3755 1 2751 1 3464 2905 3111 2822 1 370.1327 *370.1328* 370.1328@0.9712571 1 1 1 1 1 1 1 1 1 1 1504 1 1 1 1629 1490 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 1628 1941 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 1 370.1328 *370.1332* 370.1332@1.3053129 1 1 1 1 3241 1 1 1 4003 1 1 3146 1 3086 2693 1 1 3043 1 1922 1 1 1 1 1 1 1 1 1 1 2402 1 1 3008 1 1 1 2910 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 1 370.1332 *370.1334* 370.1334@0.7660982 1 1 1 1 3001 1 1 1 1 1 1 1 1 1 1789 1 1 1 2035 1 1 1 1 1850 1 1 1 1 1 1 1728 1 1 1 1 1 1 1048 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.1334 *370.1344* 370.1344@0.64125574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 370.1344 *370.1357* 370.1357@1.1193081 1 1 1 1 1 1 1 1 3509 1 1 1985 1 1653 1649 1 1799 1577 1 5618 1742 1 1 1 1 1 1 1 1 1 1 1 1 1363 1 1 1 1 3020 1 1 1 3204 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 1 370.1357 *370.1382* 370.1382@2.0429246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3766 3747 1 1 3376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.1382 *370.1421* 370.1421@0.71779275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3662 1 1 1 1 1 1 1 1 1 1 1 1248 1 2886 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 1 370.1421 *370.1795* 370.1795@0.9015854 1 1 2000 2724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.1795 *370.2024* 370.2024@1.0401515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 370.2024 *370.2478* C20 H38 N2 S2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1230 1171 1 1 1 1 1 1 7150 7389 2555 2624 4053 4184 2433 2329 2778 3104 6742 6363 1681 1386 1721 1627 2788 2549 1429 1 4914 4960 7457 7122 2901 2406 1484 1900 1 1 1 1 1 1431 4568 4208 3745 2968 10388 11274 1368 1518 3048 2455 3968 3719 1 1 1470 1153 7184 6732 10377 12480 1 1 1562 1497 4556 4679 370.2478 *370.9583* 370.9583@1.4110575 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3481 1576 1 1 3136 1 1 370.9583 *370.9625* 370.9625@1.154097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 370.9625 *371.0183* 371.0183@2.0543864 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 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 1355 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 2069 1 1 1 1 1 1 1 1181 371.0183 *371.0687* 371.0687@0.9451598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 371.0687 *371.1031* C12 H18 Cl N9 O S 4013 4098 2512 2847 1 1 1 1 3624 3652 1 1 2538 2858 6009 6055 4311 5084 2948 2785 3127 2816 3288 3140 3489 3235 3405 2868 2721 2439 2668 2212 1 1 1 1 3346 3556 2740 2716 2246 2541 1 1 2542 2928 3131 3189 4200 4055 4405 4825 4244 4532 6057 5541 2262 2088 3426 3755 6043 6304 2480 2451 4097 4527 3925 3767 3598 3613 8944 8992 1143 1261 2484 2474 5363 4860 4497 4155 6449 6445 2162 2409 3118 3470 4211 4356 3150 3421 371.1031 *371.1101* 371.1101@2.0604973 1 1 1 1 1 1 1748 1823 1 1 2370 2262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2215 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 1 371.1101 *371.1446* 371.1446@3.2372417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2409 2170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1560 1 1 1 1 1 1 4743 4475 1 1 1 1 1 1 1 1 2317 2422 371.1446 *371.1529* 371.1529@7.4578266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 371.1529 *371.2069* 371.2069@1.0822409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2614 2383 1 1 1 1 1 1 1 1 371.2069 *372.0148* C18 H13 Cl N2 O S2 1 3019 2751 2041 1 1 2533 2407 1 2277 2062 2192 3004 2868 3768 1889 4650 4663 2689 2638 3473 3795 4009 1 2649 2739 2925 2732 3806 3596 1 1369 1 1 1 2175 1 1 1893 1737 1 1170 1 1 1550 1 2373 2122 4024 4076 4778 4198 2850 3100 3916 2222 2143 1511 3519 3727 2610 3635 2409 2630 1 1008 2284 3279 1738 2007 2632 2093 1847 1 1 2365 1 1095 1 1 5181 1 3483 3096 1 2536 1 3926 4345 3938 372.0148 *372.0153* 372.0153@2.0487804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 372.0153 *372.0491* 372.0491@1.5210394 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 372.0491 *372.0985* C18 H17 Cl N4 O3 25703 25669 15395 15211 1 1 10062 9914 24379 23849 13858 13258 18297 17345 35216 37031 28799 30076 18432 17358 18029 17811 19110 19647 20349 20752 20004 18402 17496 15415 14414 14911 1 1 11623 11241 21750 22868 15956 16466 14272 14576 1 1 16715 17463 19381 18804 23504 24151 29456 30389 28076 25711 38988 38097 15137 14548 22711 23767 39926 39596 15339 15201 26815 27100 22832 23592 23306 23927 57723 57337 8438 8419 16237 17063 33477 33188 25965 27858 41613 41705 14270 14089 19526 19953 25688 26147 20254 20569 372.0985 *372.1103* 372.1103@2.054299 1 1 1 1 4273 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 1 1 1 3099 3529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.1103 *372.1135* 372.1135@1.2060297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4893 4776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.1135 *372.126* 372.126@1.9696288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 372.126 *372.1281* 372.1281@2.8787878 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.1281 *372.1408* C22 H20 N4 S 1 1 1 1 4767 6241 4457 4065 1 1 1 1 1 1 1 1 1 1 1 1 9578 9956 1 1 1 1 1 1797 1 1 1 1 1 1 1536 1516 1 1675 1 1 1 1844 1 1 1 1 3224 3132 1 1 5143 4984 1978 1751 1 1 1 1 1 1 4341 4221 1 1 2243 2222 1 1 1 1 7405 8104 1636 1 1388 1739 3865 3784 20936 20747 4506 4950 2482 2627 5028 5211 2335 2186 9984 10839 372.1408 *372.1545* 372.1545@0.7182616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1570 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 1 372.1545 *372.1952* 372.1952@0.9136702 1 1 3166 3807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1323 1 1 1 1 1 1 1 1 1 1 372.1952 *372.2263* 372.2263@1.0295908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 372.2263 *373.0609* 373.0609@2.9843028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 373.0609 *373.0693* 373.0693@3.0146286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3411 1 1 1 1 3674 4845 4777 373.0693 *373.1482* 373.1482@7.4583654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 373.1482 *374.037* 374.037@2.9815454 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7312 6891 5223 5863 2999 3739 1 1 1 1 5089 5312 1 1 1543 1 2584 1 1 1 5743 5269 1 1 1 2165 3714 2938 1 1 6184 5044 1 1 6419 1 1 1 1 1 374.037 *374.0437* 374.0437@2.9790096 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6043 1 1 1 1 374.0437 *374.0585* 374.0585@2.9941764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6954 1 1 1 1 1 1 1 374.0585 *374.0681* 374.0681@3.107572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3590 4255 1 1 1 1 1 1 1 1 1 1 2593 5432 1 1 1 1 1 1 1 1 1 3222 1 1 1 6126 4128 3997 1 1 1 1 1 1 1 2898 9719 6265 1 1 6145 9435 1 11766 1 3150 6905 6182 1 1 374.0681 *374.0692* 374.0692@3.052437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3888 1 1 1 1 1 6052 9987 1 1 5211 1 1 1 2262 5577 1 1 1 1 6828 4183 1 1 1 1 2592 5733 15377 19546 5481 3788 11807 6846 3295 5295 12055 13784 27103 25552 374.0692 *374.0699* 374.0699@3.1774716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 374.0699 *374.0937* 374.0937@2.0545022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 374.0937 *374.1072* Sulfaphenazole 2246 1 7473 1471 1813 1 2345 1154 2031 2096 2266 1 1762 1714 4291 2350 4865 1 2102 1900 1036 4214 1 1092 2136 1960 2275 2163 1942 1 1992 1993 1 1 1 2090 4034 4698 1795 4397 2394 2326 1 2262 2660 1134 5071 1 1549 2421 4393 1 1 1 5566 2688 5901 6335 4394 1816 2874 4705 5777 3020 2291 1943 1521 4977 4370 2880 2277 1 2494 1 2693 1 3672 5465 3673 1 2714 1 1 4675 4835 1 1 1 1 1066 D01954 374.1072 *374.1086* 374.1086@1.0960755 1 1 1 3740 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 1039 1 1 1493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1832 2957 1538 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 1 374.1086 *374.1957* 374.1957@1.1200497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1313 1020 1 2697 1 1 1 1 1 1 3747 1844 1 1 1 1 1 1 1 1 1 1 374.1957 *374.2181* 374.2181@1.1976626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3241 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 1 374.2181 *374.2437* 374.2437@1.0259765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 374.2437 *374.8265* 374.8265@0.8999158 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 1946 1707 1492 1409 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 1241 1 1 1 1 1312 1 1 1356 1403 1682 1742 1 1570 1669 1601 1751 1 1783 1946 1891 1 374.8265 *374.9463* 374.9463@0.76596004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 374.9463 *375.0591* C21 H14 Cl N3 S 1855 1699 1507 1769 1521 1462 1724 1802 1887 2372 1580 1701 1 1547 1 2055 1755 1785 1780 1 1584 1717 1 1904 1693 1634 1765 1444 1737 1 1885 1419 1780 1673 1563 1567 1544 1872 1640 2114 1664 1524 1710 1767 1667 1854 1401 1 1327 1530 2264 1954 2012 2085 2157 2291 1810 2033 1858 1752 2203 2603 2097 1920 2351 2027 2217 1824 1991 1920 2281 2138 1725 1929 2144 1 2143 2025 2707 2317 2529 2391 2343 2519 2620 2820 2142 2162 2113 2138 375.0591 *375.0708* 375.0708@1.1955031 1 1 1 1 1037 1 1 1 1 1 1 1 1 1 1 1 2500 3888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7669 1 1 1 1 1 1 1 9491 8882 375.0708 *375.151* 375.151@3.2150342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7049 7079 1 1 1 1 1 1 1 1 1 1 375.151 *375.2278* 375.2278@3.7812226 1 1 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 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 4267 3238 1 1 1 1 1 1 1 1 1 1 375.2278 *375.8738* 375.8738@1.0134977 3369 9186 9759 8875 7100 8910 9475 9647 8641 8641 10060 8638 9703 9519 7962 4357 8405 4703 9025 3017 4195 8462 8973 8323 5876 8912 8878 8432 7991 7792 8005 7431 7820 7415 3144 7786 3601 8511 8258 8493 8653 7647 9037 8034 10226 5276 3643 3696 8631 8357 7763 3235 8479 7920 7998 8907 9942 10135 6919 2721 3212 7694 7341 7632 8285 3352 12806 8415 4535 8127 8152 8175 9267 9804 9062 9387 9467 9749 7523 6083 8082 8524 7378 8169 8746 8980 8918 8299 3083 4154 375.8738 *375.8747* 375.8747@0.9900637 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 1539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2425 1 1 1 1 3163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 375.8747 *376.1059* C15 H30 Cl2 O2 S2 1812 1 1 1120 1 1 2059 1 1846 1 1983 2066 1556 1 1 1985 1 2176 1755 1787 1 1 1 1 2034 1947 1853 2007 1850 1 1 1 1360 1 1 1 1 1 2122 1 2400 1948 1815 1931 2564 1 1 2316 1867 1980 1 1758 1 1 1 2168 1 1 1 2026 2686 1 1 2554 2605 2771 2026 1 1 1946 2151 1852 2021 1 2234 2204 2451 1 1924 2024 2015 1890 2444 1 1 1 2183 2082 1446 1863 376.1059 *376.1059* 376.1059@1.0991832 1 1 1 2319 1 1 1647 1567 1 1 1 1 1671 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 1339 1197 1 1 1 1 1 1 1003 1089 1 1 1 1 1 1 1 1999 1604 1833 1 1 1 1705 1 1 1 1 1 1 1 1 1 1 1 1563 1 1 1 1 1 1 1 1 1 1 376.1059 *376.1106* 376.1106@3.0454025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 2969 3136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.1106 *376.1112* 376.1112@1.676024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4266 1 1 1 1 1 1 1 1 1 1 376.1112 *376.1124* 376.1124@1.0974802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 376.1124 *376.132* 376.132@2.0565045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5124 1 1 1 1 1 1 1 1 1 1 1 376.132 *376.2635* 376.2635@1.076866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 376.2635 *376.2798* C24 H40 O S 1 1 1 1 1 1 1 1 9195 1 1 1 1 1 16626 16685 17716 18783 1 1 1 1 8281 1 1 11591 1 1 20239 20083 10013 1 13547 13795 16422 16912 1 8054 17821 17976 16786 17830 8680 8795 5274 1 4073 3788 13433 12608 25988 26711 14156 13776 15812 15197 1 1 18985 18614 8335 8088 9548 9166 11648 11134 4240 4102 11495 12618 19278 18760 5746 5509 1 1 1 6533 1 1 7176 7581 26128 26640 1091 1072 11751 11747 7130 7203 376.2798 *376.8239* C5 H6 Cl3 N O4 S4 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 1638 1839 1405 1463 1202 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 1042 1 1 1 1 1 1180 1 1 1 1 1 1 1 1 1535 1458 1468 1281 1 1726 1566 1603 1953 1793 1606 1635 376.8239 *376.8753* 376.8753@1.0108225 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 376.8753 *376.8889* 376.8889@1.102539 1 1 1 1 1 1 1 1 1 1 1427 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 1 1 1 1 1 1 1 1 1 1 376.8889 *377.8619* 377.8619@1.1391574 1520 1423 1088 1492 2184 2486 1 1 1043 1 2097 2000 1 1 1 1 1 1 1 1 1 1 1 1 6806 3160 5260 13974 2963 2859 1860 1781 2079 1869 2271 2150 2385 2246 2326 2128 1 1 2803 2938 1417 1492 1831 2349 1104 1275 1 1 1 1 1 1 3056 3290 1 1 1 1 1 1 1 1 1 1 3339 3120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1493 1918 2003 2218 1 1 377.8619 *377.8722* 377.8722@1.0162876 4221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3666 1 3984 1 1 3914 1 1 1 1 1 1 1 1 1 1 1 1 1 3509 1 4029 1 1 1 1 1 1 1 1 4617 4468 3784 1 1 1 3644 1 1 1 1 1 1 1 1 2070 1 1 1 1 3505 1 1 2172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3393 4036 377.8722 *377.873* 377.873@0.99610156 1 1 1 1874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3485 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 3300 1770 1 1 2076 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 1 377.873 *378.0011* 378.0011@1.2016304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1407 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 1 378.0011 *378.0133* 378.0133@1.0849813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 378.0133 *378.1165* 378.1165@2.0609345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3610 1 1 1 1 1 1 1 1 1 1320 378.1165 *378.1924* 378.1924@1.0690485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 378.1924 *378.2045* 378.2045@0.8492708 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.2045 *378.2419* 378.2419@0.97800785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5049 4579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.2419 *378.2955* C16 H38 N6 O4 3387 2773 6335 5815 5144 4842 9090 7745 3938 3717 6293 6181 1492 1597 1792 1950 3594 3772 3360 3238 5320 5306 2740 2948 5321 5391 9678 9429 3470 3359 5772 5630 2122 2576 6701 6428 4281 4227 4713 4698 4602 4825 3055 3288 2683 2347 9967 10221 5592 6208 6116 5890 4290 4191 8421 8266 5199 5171 6473 6563 13218 12235 11026 10331 10660 10300 18591 18019 7006 8045 9195 8353 8369 9148 6568 8289 5795 6163 9327 9172 7269 8104 7835 8215 10581 9367 9024 8990 5349 5066 378.2955 *378.8867* 378.8867@1.1040444 1 1 1 1 1 1 1 1 1 1 2108 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.8867 *379.1308* C18 H22 Cl N3 O4 3012 3353 1729 1888 1 1 1 1 2493 2993 1647 1543 3564 3241 5150 4620 4794 4651 3188 2978 3088 3002 4174 3968 2759 2876 3325 3698 3452 3738 1415 1699 1 1 1 1 2195 2289 1844 1591 2742 2514 1 1 1908 1756 1425 1833 4865 5085 6197 6520 3767 3623 7680 7701 1762 1635 3852 4132 4966 4862 1701 1 3872 3686 4373 3666 2615 2459 5355 5345 1 1 1810 1866 3956 4489 5301 5329 7069 7374 2428 2760 2528 2372 4532 4346 3323 3774 379.1308 *379.1882* 379.1882@1.0920442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 379.1882 *379.2336* 379.2336@1.0299896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1675 3216 3016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 379.2336 *379.2916* 379.2916@4.2326055 1 1 1 1 1 1 1 1 1 1 1 1 5985 5820 5102 5248 1 1 17361 17711 1519 1218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1815 1785 4853 4837 9827 10104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9240 9055 1 1 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 1 1 379.2916 *379.8594* C5 H7 Cl3 O9 S2 1319 1497 1196 1 2441 2166 1 1 1 1 1835 1777 1 1 1 1 1 1 1 1 1 1 1 1 1 3053 5044 1 2461 3025 1756 1494 1667 1879 2168 2271 2147 2166 2003 1942 1 1 2452 2893 1502 1490 1741 2010 1065 1 1 1 1 1 1 1 2763 3029 1 1 1 1 1 1 1 1 1 1 2859 2976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1471 1561 1822 1784 1 1 379.8594 *380.0354* 380.0354@3.0109515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9747 10979 1 1 1 1 1 1 4014 3788 1 1 1 1 1 1 1 1 1 1 380.0354 *380.0748* 380.0748@2.31665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.0748 *380.0758* 380.0758@2.3369358 1 1 1 5651 5373 4931 1 1 5262 4772 4656 5090 3379 6415 1 1 1 1 1 5011 1 1 1 1 1 1 9336 9290 1 1 4264 3021 4203 4919 1 1 1 1 2282 7158 1 1 4799 2664 1 1 1 1 1 1 1 1 1 1 1 1 4233 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 4808 5395 1 1494 1 1 380.0758 *380.0761* 380.0761@2.8566008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2154 1594 1 1 1 1 1 1 1 1 1 1 1553 1630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.0761 *380.1108* 380.1108@2.9268675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1543 380.1108 *380.1287* Arg Cys Cys 8249 7196 3605 4561 1 1 2888 2787 6201 5851 3019 3081 8113 8519 11262 11208 9036 9321 8221 1 7864 8747 9932 9975 6741 7336 7564 7151 7738 8237 3355 3611 1 1 2461 2182 6153 6815 3455 3801 4295 3645 1 1 4290 4407 3461 3212 1 10678 12503 12892 7607 7560 1 15173 3364 3439 7236 7007 1 1 3400 1 6918 7113 7607 8360 5933 5388 11376 11931 1953 1587 2947 2901 1 9417 1 11633 14644 1 4782 5448 4473 5222 8469 8539 7586 7572 380.1287 *380.1394* 380.1394@1.0793697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.1394 *380.1414* 380.1414@1.0892984 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 5492 1 1 6185 5923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1183 1 1 1 1 1 1 1105 1 1 1 1 1 1 1 1 380.1414 *380.1458* 380.1458@1.9333438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2647 1 1 1 1 1 1 1 1 1 1 380.1458 *380.159* 380.159@1.9763427 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.159 *380.1627* 380.1627@0.97046626 1 1 1 1 1 1 1220 1062 1 1 1319 1081 1579 1650 2339 2492 3549 3460 1 1 1660 1615 1 1 1 1 1518 1399 1584 1671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1200 1381 1 1 1 1 1484 1389 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 1 380.1627 *380.1669* 380.1669@1.9769143 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.1669 *380.1937* 380.1937@0.70682263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1175 1576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.1937 *380.2295* C23 H37 Cl S 1656 1572 1546 1197 1 6379 2046 2570 5768 2957 1 2764 2832 5364 1 3204 4569 3793 6177 5921 5717 3016 5119 2542 1974 1570 1769 1570 1708 4559 1676 2094 3479 4330 1 1640 1657 1638 1 1 1 1 1687 1480 1449 1 1113 1518 1830 2026 1 3389 3940 2542 2228 1 1190 1 1 2547 2912 1 1943 1549 1 1903 1165 1850 2127 1 2499 2503 2112 3400 1 1475 2141 1769 2268 2490 2176 1844 4711 1 1226 1100 1 1 1 1724 380.2295 *380.2337* 380.2337@1.1013795 1 1 1 1 3478 1 1 1 1 1 4886 1 1 1 3445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3848 1 1 1 1 1 1 1 1 1 1 1 1 1 4109 1 1 3727 1 1 3732 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 1 380.2337 *380.2464* 380.2464@1.0376371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 380.2464 *380.2546* 380.2546@1.9743668 1 1 1 1 1 1 1 1 1 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 1 380.2546 *380.2566* 380.2566@1.0653678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1845 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 1517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.2566 *380.2571* 20-ethyl-PGE2 1 1543 3335 3770 2499 3634 3795 3627 1647 1554 3785 4393 1160 1187 1359 1325 1716 2276 2042 1223 3458 3486 1392 1351 3905 2569 4327 5338 2050 2084 2694 2483 1492 1 3287 2872 1495 1430 1458 1509 2360 1613 1527 1569 1786 1548 4200 4324 3941 3174 1680 1628 1438 1209 3062 3626 2090 2491 2195 1711 3546 3195 4202 3935 2989 2499 8397 6700 2565 3285 1590 1385 3633 3671 1698 3151 1527 1491 1 1338 1293 1850 1569 1817 1764 1586 2272 2900 1 1 380.2571 *381.1267* 381.1267@1.2871844 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.1267 *381.1471* 381.1471@1.9344149 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 1005 1133 1 1 1 1 1 1 1 1 1 1 1122 1175 1 1 1 1 1359 1606 1 2491 1281 1199 2553 2537 1 1 1 1 1946 2042 1 1246 1281 1687 1 1 4153 4066 1064 1 1 1 1029 1 1 1 2926 2934 381.1471 *381.8549* 381.8549@1.1427077 1 1 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 1 1 1 1 1 1 1 1 1 1 381.8549 *382.0546* 382.0546@2.9980247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4241 4312 1 1 2563 2443 1 1 3266 3445 1 1 382.0546 *382.0557* 382.0557@1.9653766 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.0557 *382.1363* 382.1363@1.9367276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 382.1363 *382.1439* Loratadine 1 1 1 1 1 1 2393 2101 1 1 1 1 1 1 1 1 1 1 1 1 1445 1210 1040 1 1 1 1 1 1 1 1 1 1 1 2084 1584 1210 1506 1243 1168 2177 2513 1 1 1 1 1631 1854 1 1 1 1603 2395 2194 1852 1701 1 1289 4363 3696 5845 5107 3051 2764 6066 6099 1521 1 1 1 5084 5318 2552 2644 3598 3594 1463 1 10235 9728 1956 2142 1967 1907 1840 2039 1031 1 6111 6393 HMDB05000 C07081 382.1439 *382.1782* 382.1782@0.719078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1328 1357 1 1581 1393 1 1 1 1 1481 1 2607 3534 1 1 1276 1279 1 1 1 1 1944 1685 1 1 1 1 1 1 1 1 1341 1 2645 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 1 1 1 1 1 1 382.1782 *382.2289* 382.2289@1.0933993 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 1 1 1 1 382.2289 *382.2361* 382.2361@0.83164644 1 1 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 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 1 382.2361 *382.2389* 382.2389@1.1255721 1 1 1 1 3013 1 2126 1 1 2540 1 2201 2199 1 3025 2684 3428 1 1 1 1 2812 1 1 1 1 1 1 1 1 1 1597 2106 1 1 1 1 1 1 1 2455 2885 1 1 1 1 1 1 1 1 1 2899 2170 1 1909 1 1 1 2294 2076 1 1 1870 1 1883 1645 1 1 2051 1 1 1955 1 1 1441 1 2105 1753 1 1 1402 1541 1 1 1 1 1 1 1 1 382.2389 *382.2417* 382.2417@1.1329902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1251 1 1 1826 1 1 1 1 1 1 2132 1 1 1 1 1 1 1 1 1 1 1 1 1597 1 1 1 1 1 1 382.2417 *383.0651* 383.0651@1.9537311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 383.0651 *383.0729* 383.0729@2.2870774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4541 1 1 1 1 1 1 1 1 1 1 383.0729 *383.0755* 383.0755@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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2956 1 1 1 1 1 1 1 1 1 1 383.0755 *383.9396* C10 H6 Cl2 N2 O10 2993 3153 2662 2400 2797 2859 2104 2117 3128 3345 2681 2602 2042 1920 2543 1 1550 1479 3116 2955 2550 2778 2864 2799 2880 3146 2580 2289 2006 2213 1 2755 2508 2313 2444 2580 2746 2833 2629 2734 2663 2450 2731 2888 2717 2572 2768 2713 2676 2951 2408 2546 2792 3166 2864 2995 3113 3287 3209 3275 3171 3105 2788 2971 2766 2873 1694 1503 2477 2947 3188 2923 3495 3121 3372 3022 2341 2436 1402 1036 2970 2973 2935 2841 2746 2967 3013 2984 2157 2037 383.9396 *383.9929* 383.9929@0.75928366 1 1 2302 2748 1 1 6679 6965 1 1 1618 1707 1 1 1 1 1 1 1373 1463 1543 1293 1 1 1 1 1107 1 1 1 2874 2995 2926 2951 1 1 1385 1142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1127 1002 1089 1 1 1 1 1418 1155 1 3105 1 1 1 1 1646 1729 1 1 1 1 1 1 1 1 1 1 1245 1431 3396 3152 1 1 383.9929 *384.0179* C23 H9 Cl O4 1 1 1 1555 1 1 1 1 1 1 2111 1 1 1 1251 1 1 1489 1 1 1864 1735 1 1 1 1 1859 1 1 1 2492 2502 3020 4765 1588 1 1608 2119 1 1719 1 1 1 1534 1 1537 2034 1700 1 1 1 1 1 1 1 1 1693 1546 1 1 2046 2184 3240 2270 2009 1941 5658 5303 2548 2396 4064 3155 1 1 2155 2331 1 1 1 1 1 1 1 1 2958 3052 2332 2547 1 1 384.0179 *384.0351* 384.0351@1.9733855 1 1 1 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 1 1 1 1 1 1 1 1 1 384.0351 *384.059* 384.059@1.9523258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 384.059 *384.0675* 384.0675@1.9436482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1980 1 1 1011 1 1 1 1 1 2332 3115 1 1 1 1 1 1 1 1 1263 1534 1 1 1 1 1 1 1 1 1981 1789 1251 1386 1 1 1 1 1 1771 384.0675 *384.0689* 384.0689@2.2760925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8254 6007 1 1 1 1 1 1 1 1 1 1 384.0689 *384.0695* 384.0695@3.196089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2399 1 1 1 1 1 1 1 1 1 1 1 384.0695 *384.071* 384.071@2.8961694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6202 1 1 1 1 1 1 1 1 1 1 384.071 *384.0716* 384.0716@2.8982325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5991 1677 1 1 1 1 1 1 1 1 1 1 384.0716 *384.1476* 384.1476@2.9232016 5542 5462 4669 2965 2665 6808 1 1126 1851 5374 3089 1 4568 2757 2115 5100 3224 6316 1 3626 6144 1 9758 5697 1343 1 1 1 1 1 6178 1 5341 1 3484 3202 1 1 1634 6028 3907 3207 1 1 1 1 1 1336 4636 4817 3233 4613 1 1 4182 1 3322 3871 4381 1 3771 4326 3200 1 1351 1 4865 1 1 1 3419 1 3193 1 1 1 2407 1 3336 3426 4084 1589 3452 1857 4049 3308 4097 3637 1314 3427 384.1476 *384.1478* 384.1478@2.9226565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1101 1 3494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 384.1478 *384.1481* C19 H21 Cl N6 O 7558 5754 7436 4879 9037 8562 6188 8005 7983 7523 8662 8010 4905 4760 5255 5319 6213 8089 5292 6193 7767 8320 5206 5165 8609 5905 5892 6651 5488 4851 6531 5905 8538 7434 8031 6296 1 5826 5821 7299 8057 8381 7202 5957 4627 5263 8498 7975 4743 2437 2773 2741 1 2674 2443 2825 2858 3138 3416 2987 2390 2718 3101 3474 2639 3062 2910 2680 2997 2662 3063 2596 3766 2972 3402 3396 3024 3097 1 1 2727 2898 2979 2893 3356 2582 2667 2870 3191 3208 384.1481 *384.1481* 384.1481@2.1008606 1 1 1 1 1 1 1 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 1696 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 1 384.1481 *384.1489* 384.1489@0.99636775 1 1 1 1 1 1 1029 1 1043 1 1 1 1 1 1 1454 1 1 1 1 1293 1 1 1 1 1 1 1 1 1261 1 1 1 2579 1 1 1 1 1 2601 1 1 1 1 1 1 1 1 1 1 1682 1565 1186 1248 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 1043 1232 1 1 1 1 1051 1113 384.1489 *384.1531* 384.1531@1.260922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3725 1 1 1 1 1 1 1 1 1869 4031 1 1 1 1 1 1 1 1 1 2475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.1531 *384.1567* 384.1567@0.8409888 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 1 1 1 1 1 384.1567 *384.1572* 384.1572@0.70843506 2413 1 1207 1 2759 1 1 2426 3516 1 1 1 1 1 1 1 1 5990 1 2673 1 3629 1764 2184 1 6854 1 1 1 1 1 2161 2343 2554 1 1 2367 1 1 5300 1 2667 2782 1 1 6760 1 1 1 1 2392 1 1 1 1 1 3752 1 1 1 1 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 1832 1 1 1 384.1572 *384.16* 384.16@0.7444979 1158 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 1978 1 1 1 1 1 1 1 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 1 1 1 1 384.16 *384.19* 384.19@1.0500114 2008 1 1 1 1 1 1 1 1 1 3725 3067 1 1 1 1 1 1 2820 1 2612 1 1 1 1 1 1 1 1 1 1 1 1 1 2550 1737 1 1 1 1 1 1 1 1931 1 1 1 1 3190 1 1 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 1 384.19 *384.1944* 13-ethyl-2,17-dihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one 1 1103 1 1 1 1 2423 2133 1 1 1 1 1 1 1 1 1726 3765 1 3283 1 1727 1 1 1 1 1 1 1 1712 4032 4433 1 2095 1 1 1 2222 1 1977 1814 1 1 1 1 1 1 1502 1 1795 1849 1747 2925 1456 1279 1952 2624 3175 4537 4536 2632 2921 1 1 1 1726 1 1 1341 1283 4229 3945 1 1 1 1 1553 1334 1 1471 1 1316 1 1952 1888 1 1 1113 1 1164 384.1944 *384.1965* 384.1965@6.0661716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1532 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 1 1 1 1 384.1965 *384.2101* 384.2101@1.0510453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 384.2101 *384.2631* 384.2631@1.0105549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4607 4506 2500 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 6265 6357 8179 9548 1 1 1 1 1 1 384.2631 *384.9975* C19 H3 N3 O7 3344 3396 3070 2609 2079 1929 3891 3881 3911 3782 2259 2336 3265 2790 4565 3960 4470 4674 3409 2447 3167 2570 3950 4271 3017 1 3039 3091 2936 3628 2914 2702 2085 1 3058 3572 3352 3036 2466 2130 5955 5891 3691 2636 2779 2435 3625 3133 4006 3007 7216 7042 4145 3637 5481 4789 3632 3481 3091 2751 4462 4775 4555 5677 3459 3158 5004 5141 1 2380 4544 3826 4553 5202 5000 5103 2729 3314 5671 6144 3672 3910 4854 5023 3381 3340 3414 3278 4888 5000 384.9975 *385.0662* 385.0662@1.9569459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 385.0662 *385.0693* 385.0693@1.5236317 1 1 1 1 1 1 2330 2467 1 1 2335 1 1 1 1 1 1 1 2293 1 1 1 1 1 1 1 1 1 1 1 1 1 1854 2624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2521 3215 2128 1 1734 2035 1 1 1 1 1 1 1 5564 1 1 2829 3252 1 1 1 2514 3328 3308 2594 1983 1 1 3542 2628 1 1 2738 3202 1328 4403 4445 4555 4159 4061 1 1 385.0693 *385.0706* 385.0706@1.5501324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 385.0706 *385.2331* 385.2331@1.0202583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1375 1876 1 1 1 1 1 1 1 1071 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 1785 1 1325 1571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 385.2331 *385.9407* C17 H7 Cl N2 O S3 4767 1 1 3700 3265 4310 3841 3375 1 4171 4357 2982 3254 3131 4162 2558 4085 3573 4809 4005 3137 1 3574 4475 1 3878 1 3150 4459 5150 4692 1490 3354 4043 4783 4399 4334 4426 2507 1550 2154 1 1 4115 1 1 2766 4676 2411 4095 3054 3479 3651 4772 1601 2494 8527 6143 1440 3362 1 5419 4900 4149 4700 1 5383 3753 4234 2552 1 3230 3291 5177 5402 5195 4741 3905 1 1 3456 3146 3732 3684 8121 3609 3860 6688 3584 1587 385.9407 *385.9412* 385.9412@5.741334 3020 1 1 1 1 3626 1 1 1 1 1 1 1 1 3099 1 1 1 1 3486 3360 1 1 3510 1 1 1 1 1 4878 1 4180 4581 1 1 1 1 1 1 1 1 1 1 4281 1 1 1 1 3093 1 1 1 3648 3869 2702 3630 1 1 4254 1 1 3905 3038 3249 2978 1 4312 1 3194 1 1 2992 1 1 3819 1980 1 1 1 1 1 3250 3009 1 1 1 4813 1 3541 1 385.9412 *385.9413* 385.9413@5.627595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2974 1 1 1 2419 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 1 385.9413 *385.9417* C12 H2 O15 83089 82284 80934 81791 80453 82529 82961 82291 84283 83269 83117 82661 81447 81300 81038 83146 88310 89754 82393 80391 83232 82193 83361 86212 81798 78874 83209 81900 79611 80351 84061 84327 87932 83783 85783 85456 82375 83150 87877 89912 87444 85960 84379 83245 81660 84135 83873 82581 87026 87638 117884 116026 104668 105198 102317 100795 92367 94579 91394 91361 118671 116705 88849 87466 109048 107692 105824 106272 89827 90141 132602 136261 84734 86051 98470 98208 119781 122579 131178 130197 127331 132519 124512 125757 131224 134111 124109 125484 106083 106416 385.9417 *386.0295* 386.0295@1.4008229 1 1 12503 11408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.0295 *386.1437* 386.1437@2.0414672 1 1 1 1788 1 1 1 1 1 1 1 1 1606 1 1 1 1689 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 1 386.1437 *386.1682* 386.1682@1.1990124 2151 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 1345 1 1 1 1 1 1 1 2550 3369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12180 11909 1 1 1 1 1 1 1609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.1682 *386.1967* 386.1967@0.81975776 1 1 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 2237 1 1 1 1 2686 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 10352 11160 1 1 3470 3717 5031 4955 1 1 1 1 1 1 1 1 1 1 1 1 2022 1938 1 1 2086 2223 1685 1869 1 1 1395 1552 386.1967 *386.1973* 386.1973@1.0539736 1 1 1 1 1 1 1 1 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 1586 1801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4672 4520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.1973 *386.2023* 386.2023@1.0120137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2387 1 1 1 1 1 1 2154 1 1248 1 1 1 1 1 1 1 1 1746 1 1 1 1 1 1 1 1762 1606 1 1 1 1 1 1 1 1 1 1 1073 1 1 1 2462 1 1 1 2188 2265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.2023 *386.2053* 386.2053@1.0516671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.2053 *386.2123* 386.2123@0.99933994 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 1492 1 1 1 1 1 1 1 1 1 1 1755 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 1 386.2123 *387.0133* 387.0133@2.3573203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 387.0133 *387.0881* 387.0881@1.6125159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.0881 *387.0896* Cys Cys Tyr 5051 5694 3167 3273 4050 3718 6680 6748 4412 4452 3437 3706 3623 4088 6695 6608 12702 13459 3408 3497 5914 5508 6374 6855 6794 6538 3641 3165 7153 7316 4395 4493 2869 2889 6684 6542 5845 5942 2977 2456 15885 15955 5957 5452 5444 6222 9472 9404 8220 9181 16643 16550 11471 12545 16990 17282 6567 7394 12363 8809 12607 11571 17433 17588 8890 8361 13555 15765 4208 4970 11447 10365 12123 13595 15839 16738 6657 6822 3623 2640 12280 10695 11268 11534 5421 5327 6862 6905 14187 12159 387.0896 *387.1025* 387.1025@1.024145 1 1 1 1 1 1 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 1180 1 1 1 1 1 1 1 1 1205 1145 1 1 1 1 1 1 1 1 1 1 1727 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 1 387.1025 *388.0092* C27 H4 N2 S 2007 2648 1980 1 1 3468 6268 4401 4084 1 2818 2735 5507 3757 2829 3166 3954 3377 2874 1 2475 6714 2730 3195 2875 1 3275 2239 1 4307 2723 3086 1 1 2469 2440 1 1 1 1 5511 3192 2415 1 1 1 3703 2624 3521 1 3320 6316 4100 4952 4376 1 1 4690 2865 2189 2777 5270 1 2364 4778 1 6056 1 1 2684 3900 1 1462 4236 1 1 5183 5361 5502 4734 6436 6532 6492 5673 2885 5435 3974 5799 4664 4783 388.0092 *388.0102* 388.0102@2.3952804 1 2587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2944 1 1784 1 1 3371 1 2161 1 1 1 1 1 1 1 1 1 1 1 2592 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 2212 1 1 1 1 1 1 1 1 1 1 1 2202 1 2016 1 1 1 388.0102 *388.0129* 388.0129@3.0243955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2828 1 1 388.0129 *388.0587* C22 H12 O7 23185 22939 43579 46943 33857 40133 67996 59433 35987 34949 65604 71050 42532 41594 47472 47005 40504 40608 54544 48719 55100 53716 25729 24966 24718 27293 51212 49630 29802 31533 40923 44345 60562 62583 40065 35836 42636 46759 35680 30629 41620 46832 38958 34817 20540 18800 46995 45839 61998 69233 51205 54808 49176 51286 32079 31650 24331 25196 31451 30336 92320 81441 52286 53233 57644 68385 50823 53486 55132 50357 71154 66051 51984 55943 43879 45752 65138 58066 43362 40692 64554 57520 69755 70306 84812 87445 61747 73937 43579 42217 388.0587 *388.064* 388.064@1.5984586 1 1 1 1 1 1 3754 1 1 1 4057 1 1 2973 1 1 1 1 1030 1 1 1 1 1 1 1 1 1 1 1 4643 1 1 1 1 1 1 2993 1 1 1 1 1 3530 1 1 1 1 3172 1 1 1 1 1 1 1 1 1 1 1 6456 1 1 1 4815 4269 1 1 5398 6724 4300 4868 1 1 1 1 4227 4178 4779 5198 1 1 4840 1 3021 1 6070 5650 1 1 388.064 *388.0729* 388.0729@2.96811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 388.0729 *388.0738* 388.0738@1.6217871 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 1650 1 1 1 1 1 1 1 1 1 1 1 1 2437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3808 1 1 1 1 1 1644 1 1 1 1 1 1 1 1 2550 1 2882 1 1 1 1 1 1 388.0738 *388.0839* 388.0839@3.0077221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2387 2571 1 1 1 1 1790 2345 1 1 2100 1980 1 1 2310 2094 1153 1 1 1 1 1 1 1 1 1 1829 1680 1 1 1 1 1 1 1 1 1 1 2878 2871 388.0839 *388.0855* 388.0855@1.6540669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 388.0855 *388.2172* 388.2172@1.1473681 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 1125 1286 1068 1 1 1978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3723 1 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 1379 1 1 388.2172 *388.2239* 388.2239@1.1440601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1041 1 1 1 1 1294 1233 1370 1416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1124 1297 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.2239 *388.2581* 388.2581@1.1003511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1295 1 1428 13170 10333 1 1 1 1 1 1 388.2581 *389.0281* 389.0281@2.0634315 1 1 1302 1 1 1 1 1 1 1 1 1 1 1 1 1943 2051 2284 1 1 1 1594 1 1 1 1 1 1 1542 1 1 1 1 1 1 1 1 1 1 1 1751 1567 1 1 1 1 1 1 1763 1943 2226 2353 1 1849 1 2441 1 1 1 1 2242 1934 1 1 1 1 1502 1790 1 1 1956 1 1 1 1 1 1 1 1 1 1 2287 1 1450 1448 1 1 2137 1 1 389.0281 *389.0467* 389.0467@1.4933064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 389.0467 *389.1018* 389.1018@1.0250764 1 1 1 1 1 1 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 1337 1 1 1 1 1 1 1 1 1040 1 1 1 1 1 1 1 1 1 1 1 1629 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 1 389.1018 *389.1361* 389.1361@1.9323115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1428 1 1 1001 1052 1 1 1 1 1 1 1 1 1 1 1 1 2132 2033 1 1 1 1 1 1 1 1 1154 1280 389.1361 *389.3021* 389.3021@1.1473086 1 1 1 1 1 1 1 1 1 1 2510 2695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1439 1458 1 1 1 1 1 1 1 1 1635 1585 1 1 2274 2010 1 1 2746 2421 1 1 1 1 1 1 1 1 1845 2096 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 1757 2185 2551 1 1 1 1 1 1 389.3021 *389.304* 389.304@1.1771004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 389.304 *390.023* 390.023@2.0649722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.023 *390.0252* C27 H6 N2 S 3214 3796 2387 2502 1 1 2571 2738 3008 3242 2556 2909 2900 3101 4152 4241 4060 5219 2788 3292 3323 3699 3263 3498 3636 3489 3318 2771 3880 3610 2557 2703 1 1 2345 2445 3077 2912 2388 1 3457 3545 1 1 2250 2667 3007 2890 4522 4553 5181 4670 4034 3726 5052 5488 2778 2563 3783 4755 4872 4079 2711 2983 4015 3631 4739 4014 2940 2806 4446 4232 1 2361 3230 2840 4927 4191 3298 3285 5394 5157 3694 4030 3016 3383 4129 3933 4411 4061 390.0252 *390.0268* Sulfadoxine suflate 6572 6754 16066 15869 12818 13038 27111 27258 12490 12849 30705 31891 15652 15560 17706 17678 15192 16378 21456 23503 20370 20538 8511 8390 8437 8142 20696 20484 10024 9308 18007 18041 29698 30581 15421 15276 21427 21510 15002 14789 19511 19061 18780 19883 6818 7452 20258 20307 29200 34320 24218 24231 21815 21606 10942 11067 8611 9117 10595 10637 52766 53627 22811 22595 34299 35399 21584 23589 31352 30453 39499 38235 26939 28148 18332 20738 41230 39111 20729 20225 29860 29913 38485 40994 55171 56608 42456 44449 18342 18717 390.0268 *390.0345* 390.0345@1.476078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3338 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 3203 1 1 1 1 1 1 1 1 1 1 3469 1 1 1 1 1 1 1 1 1 3222 1 1 4101 1 1 1 1 1 1 1 1 1 1 1 1 390.0345 *390.0439* 390.0439@1.5016384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3007 1 1 1 1 1 1 1 1 1 1 2483 1 1 1 1 1 1 1 390.0439 *390.0809* 390.0809@1.1027412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2637 2822 1 1 1 1 1 1 1 1 390.0809 *390.0995* 390.0995@0.8731533 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 1166 1 1 1 1 1668 1412 1 1 1 1 390.0995 *390.1295* 390.1295@1.9324223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1012 1375 1271 1 1 1239 1433 1 1 1 1 1 1072 1 1 1 1 1 1 3114 3748 1 1 1 1 1 1 1 1 1793 1423 390.1295 *390.13* 390.13@1.4058275 1 1 2753 3055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.13 *390.1693* 390.1693@1.0853835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1456 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 1 390.1693 *390.2608* C17 H38 N6 S2 2177 2686 3742 3215 4790 6330 4247 4377 4392 4465 4688 3806 4529 4466 5944 6254 4994 5123 4863 4896 5609 6444 4263 4769 4738 4563 4669 4724 5151 5713 5119 6356 4610 4681 3836 3538 3423 4362 2531 3220 5578 6584 3041 3422 2999 3258 3399 2750 4169 4394 5288 6386 7347 6834 5294 6183 3093 2410 5735 5031 4976 5133 4659 5056 6026 5155 3086 3117 5480 5342 4781 5176 2950 3293 2370 2013 4289 4663 6071 6971 4324 5280 1 1 2597 2231 4227 5238 4006 3865 390.2608 *390.2835* 390.2835@1.0705944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 390.2835 *390.2913* 390.2913@1.9750589 1 1 1 1 1 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 1123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.2913 *390.9366* 390.9366@1.1071427 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.9366 *391.0273* 391.0273@1.4472405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 391.0273 *391.0524* 391.0524@2.16188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1609 1832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 391.0524 *391.1201* 391.1201@1.4038267 1 1 6754 6382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 391.1201 *392.0466* 392.0466@1.9584984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2946 2651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.0466 *392.0479* 392.0479@2.1165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1598 1379 1 1 1 1 1 1966 1187 1 1 1 1 1 1 1 1 1 1 1700 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 3497 3515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1665 1 1 1 1 392.0479 *392.0489* 392.0489@2.0397923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1156 1 1 1 1060 1 1 1 1 1 1 1 1 1 1075 1 1 1 2225 1 1 1 1 1 1 1986 2443 1215 1460 392.0489 *392.0536* 392.0536@1.9200162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2114 1150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.0536 *392.0659* 392.0659@1.9333402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1590 1 1 1 1 1 1 1 1 1 1 392.0659 *392.1225* 392.1225@2.3425539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2453 1 1 1 1 1 1 1 1 1 1 392.1225 *392.199* 392.199@0.7099316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2430 2943 3785 4250 1 1 1 1 1 1 2290 3462 1 1249 1007 1 1 1 1 1 2456 2452 1 1 1 1 1 1 1 1 1798 1702 2640 2620 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 1772 1818 1 1 1 1053 1976 1636 392.199 *392.2658* 392.2658@1.0656235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 392.2658 *392.2728* 392.2728@1.0683267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 392.2728 *392.2745* C19 H41 Cl N4 S 1878 1688 2422 2657 2418 2130 1832 2361 2935 2964 2741 2866 2972 3570 3746 3829 7155 3431 4172 3622 3509 3186 2732 3548 3082 2749 3813 2796 2915 4429 2837 3376 2519 3497 2026 2028 1931 3004 2244 2203 3225 3942 1 2106 2612 1 2263 1 2691 4139 4223 4348 3889 3275 3296 2926 1437 1299 2666 2241 5401 3430 3671 4020 3060 3471 2789 2334 2958 2638 4125 3014 1966 2346 1 1 4147 2632 4305 5130 3711 3702 3793 3877 2253 2305 2234 2307 2250 1 392.2745 *392.2831* 392.2831@1.1327509 1 1 1 1 1 1 1403 1270 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 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 392.2831 *392.2886* 392.2886@1.1879683 1 1 1 1 8008 8793 42440 41162 1087 2127 1 1 1 1 1 1 1 1 1 1 1 1162 1 1 1 1 1 1 2326 1 1274 1 7032 6846 1 1 1 1 1 1 1 1 5441 3613 1 1 1 1 2078 1 1 1 1276 1158 1412 1433 1143 1385 21333 21162 1 2480 1 1 1335 1633 1 1 1256 1 1 1530 1851 1539 1 1 1 1 1 1 1 1 1410 1405 1 1 3458 3720 1 1 392.2886 *392.2901* 392.2901@1.3196845 1 1 1 1 1 1 3499 3499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.2901 *392.9298* 392.9298@1.1020145 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.9298 *392.9685* 392.9685@3.0347164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3650 3524 1 1 3003 1166 1 1 1227 2824 1 1 392.9685 *392.9699* 392.9699@3.1116178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1460 1 1 1 1 1 1 392.9699 *393.0522* 393.0522@0.7601736 1 1 1 1 1 1 2233 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 393.0522 *393.1054* 393.1054@1.0244632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20473 20199 1 1 1 1 1 1 1 1 1 1 393.1054 *393.1129* 393.1129@2.3300586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4227 3184 1 1 1 1 1 1 1 1 1 1 393.1129 *393.8943* 393.8943@0.8948105 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 1367 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 1 393.8943 *393.9661* 393.9661@3.106403 1 1 1 1 2267 1 1924 1 1 1 1 1 1 1 1 1 1 1 1 1 3924 3931 1 1 1 1 3010 1 1 1 1 1 1 1 1 2541 1 1 1 1 1 1 1 1 1 1 1 1 2212 1 1436 1 1 1 1 1 1 1 1 1 1 4244 1 1 1 1 1 1 1 1 1 5155 1 1 2339 3819 1 1 8209 8364 1970 2739 1 8069 6624 6666 3552 9972 6346 10293 393.9661 *393.9662* 393.9662@3.0704443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4520 1 1 1 393.9662 *393.9666* 393.9666@3.1646862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 2195 1 1 1466 1 4188 1 393.9666 *394.1086* 394.1086@2.3579924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3752 4105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3752 1 1 1 1 1 1 1 1 1 1 4439 6755 3406 3585 4356 4843 1 1 3989 4369 3361 3302 394.1086 *394.1753* 394.1753@0.96249765 1 1 1 1 1 1 1 1 1 1 1 1 1425 1420 1989 2063 2992 2348 1 1 1407 1409 1 1 1 1 1 1296 1603 1477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1193 1165 1 1 1 1 1241 1 1 1 1 1 1 1 1 1 1 1 1100 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 1 394.1753 *394.2259* 394.2259@1.1866417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 394.2259 *394.2311* 394.2311@0.79398453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1204 1 1 1 1 1 1 1 1 1 1 1 1 394.2311 *394.2332* 394.2332@1.1888355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 394.2332 *394.2368* 394.2368@0.79611 1 1 1946 1718 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 1490 1436 1 1 1 1 1 1 1 1 1 1 1 1 1895 1951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3056 2534 2506 2448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.2368 *394.2595* 394.2595@1.1838703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 394.2595 *394.2753* 394.2753@1.1854175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 394.2753 *394.2829* C17 H39 Cl N6 O2 23594 23608 16319 16985 81724 85257 36662 39021 45832 46924 64103 63877 28876 28972 86044 85909 92726 92585 47148 46493 63869 62234 38148 38959 48373 49913 16846 16507 77294 82669 30187 30922 68925 68149 93539 94871 31875 32041 90079 92404 64821 63931 44642 44075 11017 11342 11810 11986 53994 55078 124602 123172 41815 40774 58674 58208 5343 5041 84992 85320 24196 23470 19163 19351 41646 42194 9652 10146 34957 32201 70280 70328 17792 16478 6417 6521 16830 16549 18289 19050 19798 19669 85267 84587 5957 5942 32307 31320 22356 21710 394.2829 *395.0533* 395.0533@1.5173776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 395.0533 *395.1364* 395.1364@4.199606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1277 1 1 1 1 1 1 1 1 1 1 1 1 395.1364 *396.0681* 396.0681@1.5210444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2711 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 1 396.0681 *396.1095* 396.1095@2.1024392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 396.1095 *396.1167* 396.1167@2.07 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3519 1 1 1 1 1 1 1 1 1 1 396.1167 *396.1345* 396.1345@1.4033251 1 1 3593 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.1345 *396.1478* 396.1478@2.9681091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1800 1620 1 1 1 1 396.1478 *396.1692* Benazeprilat 1840 2093 1 1 4270 4089 1712 11779 1 1277 1367 1 9412 2228 1 1234 5522 5526 1362 1486 1804 1685 1483 1258 1 1 1 1173 1 1 1 1 1 1 1 1 1290 1 1 1228 1018 1038 1 1 1 1 1230 1071 1014 1 1120 1220 1241 1 1040 1506 1 2181 1 1331 3116 2963 1 1 1 1 1793 1 1 1193 1 1 1 1 1 1 1 1 1 1 4249 4083 1 1 1 1 1 1 3002 2961 396.1692 *396.2365* 396.2365@1.970129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.2365 *396.2499* His Leu Lys 2576 2525 2633 2623 2723 2871 2738 2592 1873 2495 1687 1661 3475 3645 6407 6395 3400 2725 4980 4578 2013 2847 2084 1959 5289 4856 3426 3108 3108 2311 14672 13900 7185 6849 8271 7159 7236 7122 5588 5711 8928 9066 3731 3702 7427 7076 10415 9574 6388 6216 8666 8418 7969 7396 10665 10987 10032 10002 9021 8099 24547 24835 8324 8295 19543 20395 10846 10517 5792 6370 5440 5497 8823 9067 6556 6161 9422 8255 7240 7352 5376 4945 7665 7728 2754 2425 4536 4416 13164 13608 396.2499 *397.0891* 397.0891@2.0585833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.0891 *397.096* C12 H16 Cl N11 O S 1 1340 1 1 1 1 1 1 1 1146 1 1 1603 1698 1 1481 2404 2228 1841 1 1 1904 2311 2152 1 1 1751 1 2360 2046 1 1 1 1 1 1 1 1 1 1 1 1693 1 1 1 1 1 1 2442 2749 3627 3819 2497 1 3069 3189 1 1 2288 2388 2430 2313 1 1 1949 1922 2200 2127 1 1 1 1 1 1 1 1 1 2149 3016 2967 3386 3207 2372 2182 1541 1 2036 2231 2977 3167 397.096 *397.1519* C19 H15 N11 5538 4377 3183 4092 3751 4538 4780 3262 3817 5399 5810 5785 3490 2701 4245 4914 4328 3943 4953 2903 6054 5123 4521 2302 3394 5231 4270 4757 4456 3984 4586 4206 2673 3350 2939 3448 4352 4044 2806 2387 4162 5025 3066 3042 3508 4112 2749 2603 2664 3311 2895 3980 3096 2975 2707 3288 2566 3158 3338 2839 3343 3859 3387 2765 2614 2765 1148 1 1 1598 2583 3855 2481 2819 2658 1 2556 1985 3921 4115 2985 3349 4532 3624 2966 2186 2526 1954 3223 2917 397.1519 *397.1523* 397.1523@0.89659417 1 1 1 1 1 1 1 1149 1494 1 1 1 1 1 1 1 1105 1303 1 1 1 1715 1 1600 1 1 1 1 1 2031 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 1665 1077 1 1 1 1 1 1 1 1 1 1 397.1523 *397.3128* 397.3128@1.1280354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 397.3128 *398.0083* C16 H18 N2 S5 1 1 1825 1364 1 1 2309 1609 1 1 8076 7364 1875 1897 1 1 3770 3580 5246 5094 2078 2082 1 1 1 1 5600 5507 1 1 1 1 2225 2256 1089 1 1 1 1 1 1918 1831 1 1 1 1 1547 1579 1 1 1203 1473 1 1 1613 2047 1 1 1 1 9102 8461 1 1 6071 6108 3398 3211 3352 2993 1 1 1553 1544 1 1 1 1 1 1 1605 1444 1 1 3313 3475 12232 12031 1 1 398.0083 *398.0892* 398.0892@2.0483732 1 1 1305 1 1 1 1 3103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4099 1 1 1 1 1 1 1 1 5198 1 3982 1 1 1 1 1 1 1 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 2238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.0892 *398.0943* C23 H15 Cl N4 O 3566 3722 1 1411 1 1 2481 1 2306 2733 1 1 5787 5384 4432 4837 6242 7090 4649 5304 5505 4540 6869 8332 3415 1 4796 3816 7127 7191 1 1 1 1 1 1 1878 1382 1 1 3315 1 1 1 1920 1 1832 1093 8232 7949 11429 11848 5738 5916 8471 9464 1817 1 6186 5924 7879 7548 2459 2673 5279 5276 6906 5629 2532 2661 3868 5975 1617 1 1 2172 5941 6550 8196 8288 10471 10991 6002 6351 3807 4331 7052 7188 8835 9018 398.0943 *398.1531* 398.1531@2.0452983 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.1531 *398.1534* 398.1534@2.972076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2365 1 398.1534 *398.1602* 398.1602@0.95899653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 398.1602 *398.1616* 398.1616@2.046561 3142 1 2358 3195 2235 3449 3486 3452 3011 2680 3412 1387 3107 1 2776 1653 3002 5747 2311 3057 3137 3809 2568 1 4583 1 1869 2451 1801 1 1 2934 1 1 3331 3159 1 3160 3191 2854 3574 3463 1 1 3079 3177 1 1 1 1 1 1 1 2414 1 1036 1 1 1 1 2615 1 1 1 1 1 2953 1 2248 1 1401 1 1 1 1 1 2386 1588 1 1490 1 1 1 1 1 1 1 1693 1 1 398.1616 *398.1636* 398.1636@2.8869793 1 1 1 3044 1 1 1 2700 2650 2918 1 1 1 1 1 1 1 3772 2222 1 1 1 1 1514 1 1 1 1 1 1 1 3044 1 3395 1 3195 1 1 1 2678 1 2743 1 1758 1 1 1 1 2475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.1636 *398.1686* 398.1686@2.0454829 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 1122 1 3380 3401 1 1 2491 1 1 1 1 1 3683 3291 1 1 3003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2160 2195 1 1 1 1 1 1 1 1 1 2635 1 1462 1819 1 1 1 1 1 1 1 1 1 2761 1 1 1 1 398.1686 *398.1724* 398.1724@2.0401227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3680 4102 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 1 398.1724 *398.1765* 398.1765@1.2692412 1 1988 1 1 1 1 1 1 1 1709 1 1 1 2817 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 1 1 1 1 1 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 1 1 398.1765 *398.1791* 398.1791@2.0763268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3193 3040 1 1 1 1 1 1 398.1791 *398.1798* 398.1798@1.2443404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2214 1967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.1798 *398.1812* C17 H35 Cl N2 O2 S2 4775 4984 3725 2441 8974 9506 9009 1 4714 3246 5515 4907 2383 5957 5186 5242 14201 13428 5380 5017 5002 4715 4763 4715 1600 1 2051 2461 2917 2079 2159 3336 2070 1977 2711 2606 3946 2313 3589 2915 5462 5299 1 2823 1600 1919 1914 2059 3108 4279 2362 5084 2291 2073 3560 3784 3548 3201 2354 3513 23072 23491 1912 2341 1331 1250 6163 6616 2048 2815 1686 1792 3162 2422 1638 1435 4010 4612 1 1 11282 11657 1 1804 4142 2864 1 1 9118 8496 398.1812 *398.1852* 398.1852@1.1961856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 398.1852 *398.2313* 398.2313@0.8776057 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5256 4830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1096 1 1 1 1 398.2313 *399.1695* 399.1695@0.9049746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1223 1056 1345 1182 1 1187 1 1 1 1 1 1 1 1 1214 1 1 1367 1105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1199 1137 1 1 1 1 1 1 1 1 1 1 399.1695 *399.332* 399.332@1.1443317 1 1 1679 1648 1 1 1 1 1 1 6409 6057 1 1 1 1 1 1 1 1 1 1 1 1 1680 1781 5394 5611 1 1 1 1 1 1 1 1032 4444 4275 1 1 4201 3947 1 1 6966 7858 1 1 1 1 1 1 1 1 3975 4139 1 1 1 1 1120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3980 4176 5562 5592 1 1 1251 1516 1 1 399.332 *399.9566* C18 H9 Cl N2 O S3 2225 2615 2510 2449 2259 2195 2656 2316 2533 2417 2517 2398 2398 2265 2307 2653 2233 2802 2489 2473 2444 2394 2069 2583 2405 2218 2489 2502 2249 2470 2333 2331 2358 2590 2559 2383 2484 2302 2440 2449 2454 2610 2321 2428 2322 2349 2171 2398 2554 2388 3584 3707 3343 2865 2917 2766 3003 2615 2618 2325 3121 3306 2527 2429 3234 3492 3093 3337 2528 2691 4080 4624 2387 2393 2733 3051 3872 3908 3900 3589 4060 4135 3972 3740 4101 4154 3839 4122 3241 3453 399.9566 *400.0665* 400.0665@0.99430746 1 1 1 1 1 1 1251 1243 1 1 1274 1274 1443 1243 1598 1537 1 1956 1 1 1528 1219 1 1 1 1 1333 1061 1243 1211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1246 1530 1 1 1 1 1220 1189 1 1 1 1 1 1 1 1 1 1 1046 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 1 400.0665 *400.0989* 400.0989@1.6261204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4892 1 1 1 1 1 1 1 1 1 1 1 400.0989 *400.1871* 400.1871@1.1946081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 400.1871 *400.2206* 400.2206@0.9776972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 400.2206 *400.221* 400.221@0.99389964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1032 2854 1 1 1 1 1 1 4909 4583 2625 1 1 1 1 1 1 1 3117 3306 1 1 1 1 1 1 1 1 2461 3219 1 4369 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 1890 1 1 1 1 1 1 1 1 1 1 400.221 *400.2212* 400.2212@1.1197522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1070 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 1 1 1 1 1 1 1 1 1 1 400.2212 *400.257* 400.257@1.0394307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6797 3407 1 1 1 1 1 1 400.257 *400.9177* C9 H7 N O11 S3 13748 13419 12571 13888 13265 13252 12658 12839 12589 12351 13009 12413 12156 12114 12378 12564 11602 10650 11079 11578 11607 11824 11321 11729 11232 11541 11116 11172 9567 10120 11411 11281 10838 12059 11767 11283 11422 11280 11563 11445 11486 11307 11692 9580 10755 10844 11431 11406 10955 11038 11457 10757 10935 10390 9931 10569 11468 11590 10985 10698 10330 10376 11024 10055 11403 11445 10220 1 9521 9312 9571 9372 10942 9870 9980 9950 9721 9355 3256 2915 10034 9638 9504 9847 10292 8459 8867 9960 9534 9128 400.9177 *400.9206* 400.9206@0.90195096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.9206 *400.9396* 400.9396@1.1432233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1157 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 1 400.9396 *401.2177* 401.2177@1.0830847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8628 1 1 1 1 1 1 1 1 401.2177 *401.9049* 401.9049@0.80122393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 401.9049 *401.9134* 401.9134@5.5278163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 401.9134 *401.915* C17 H6 O4 S4 1376 1566 1 1489 1495 1472 1508 1667 1692 1 1813 1747 1268 1331 1495 1711 1617 2030 2422 1526 1 2544 1 1 1 2746 1739 2589 1377 1 2588 1 1384 1623 1218 1847 1769 1840 1983 1785 1606 1722 1112 2088 1270 1767 1649 1441 1736 1923 2313 2707 2236 2834 2888 2014 2087 2070 1 1699 2931 2802 2003 1668 2110 2099 1788 1854 2186 1587 2715 2677 1867 1621 1 2030 2176 3106 2760 2979 3433 2517 2252 2284 3829 2374 2494 2403 2551 2127 401.915 *402.03* 402.03@2.173536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 402.03 *402.0643* 402.0643@0.9944399 1 1 1 1 1 1 1367 1259 1 1 1397 1299 1532 1488 1614 1492 1967 2129 1 1 1502 1175 1 1 1 1 1415 1081 1313 1361 1 1 1 1 1 1 1 1 1 1 1004 1 1 1 1416 1478 1 1 1 1 1196 1264 1 1 1 1 1 1 1 1 1 1 1230 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 1 402.0643 *402.104* 402.104@1.6158069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 402.104 *402.1869* 402.1869@1.0429903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1777 1803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4384 5115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.1869 *402.199* 402.199@1.0446839 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.199 *402.2145* 402.2145@1.1901791 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 1 1 1 1 1 1 25060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7730 1 1 1 1 1 1 12638 1 402.2145 *402.2354* 402.2354@1.0782381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1912 1 1 1 1 1 1 1 1 1 1 2051 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 4008 3662 1 1 1 1 1 1 402.2354 *402.9012* 402.9012@0.89404005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1805 1619 1 1 1 1 1 1 1 1 1 1 402.9012 *402.9368* 402.9368@1.1407619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 402.9368 *403.0547* 403.0547@2.0732422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6242 6204 1 1 1 1 1 1 1 1 1 1 403.0547 *403.2834* 403.2834@1.1734166 1 1 1 1 1 1 1 1 1 1 6712 6400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3924 3646 1 1 1 1 1 1 1 1 1774 1865 1 1 1 1 1 1 5914 5516 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 3474 3226 1 1 1 1 1 1 1 1 403.2834 *404.0504* 404.0504@2.0742393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22876 23522 1 1 1 1 1 1 1 1 1 1 404.0504 *404.0866* 404.0866@2.6831465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4628 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 1 404.0866 *404.0873* C18 H25 Cl O4 S2 - 2.831319 2063 2410 1 1 4003 4712 5508 5190 1 1 3595 2433 5060 3749 3734 2346 2234 2010 5681 5206 5686 4784 4307 4476 5192 4776 5909 5130 6476 6628 1 2233 1 1 1 2189 2678 3294 1 1 2348 3260 3830 1 1 1 4090 3807 2407 2866 1 1416 1582 1 1 1 1152 1 1185 1657 1 1 1 1 1 1 1 1 1334 1 1 1 1955 3410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1322 404.0873 *404.0877* C18 H25 Cl O4 S2 2649 3463 2654 2901 3329 3108 2607 5665 2366 2197 3125 3806 4230 3253 3120 2881 4403 3281 1422 4395 4469 4327 5586 6314 3728 2770 4965 3322 5435 4654 3350 2926 1329 1195 2544 2936 2437 2313 3684 3521 3922 4080 2305 3900 2567 3932 2947 2335 5637 4350 7386 4821 3450 4405 7385 6150 2956 2922 5007 4237 3956 5435 1270 1757 3407 3768 8865 6497 2924 3106 3595 3506 3306 2583 1 1 3873 3587 14063 14478 9209 4359 10312 9487 5531 6216 4940 6840 4937 7933 404.0877 *404.088* 404.088@2.3830223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3919 3808 1 1 1 1 1 1 1 1 1 1 404.088 *404.1417* 404.1417@1.64 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 404.1417 *404.2541* 404.2541@1.3294663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2100 1 1 1 1 1 1 404.2541 *404.2551* 404.2551@1.1447593 1 1 1 1 1 1753 2763 2061 3397 3068 1 1 1 1 1 1 3235 3309 1 1193 1 7267 3490 1 1 1 1 1 1 1 1696 2075 1 1 1 1 1383 1 1 1 1 1 1 1 1 1 1 1 1 1 3727 1 7245 7675 1 1 1 1 1 1 1 1 1 1 2333 2802 1636 1 6241 6333 1 1 1 1 1 1 1 1 6964 6198 1 9582 25571 24962 1 1 1879 2545 4053 3811 404.2551 *404.2554* 404.2554@0.9131011 1 1 1 1 1 1 1 1 1350 1351 1 1 1 1 1 1 1490 1583 1 1 2437 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 1 1 1 1 1 1 1126 1 1 1 1 1 1 1 1 1335 1149 2080 1720 6732 6391 1 1 1 1 1 1 404.2554 *404.2621* 404.2621@1.1459657 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.2621 *404.3118* C26 H44 O S 16760 16276 21489 20659 52012 52243 30991 30066 30865 29410 42226 42786 21960 21689 54105 53745 61955 62227 30394 29782 45368 43933 28905 29083 45403 47441 18129 17801 77097 76722 27477 29684 51127 52565 66066 65674 24158 24778 64105 67140 61668 63244 35005 34102 14029 13170 10662 11676 45014 43246 110480 105060 37590 36243 48744 48011 4816 4938 63798 65596 17891 17326 28786 28336 42149 40868 12437 12294 32630 32169 59669 58787 14741 14796 6399 6397 18377 18693 27203 28186 21049 21526 83693 85622 5948 6358 35786 37199 20540 21052 404.3118 *404.9102* 404.9102@1.6165503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1552 1 1 1 1 1 1162 1 1 1673 1842 1276 1 1509 1 1 1 1 1 1959 1968 2475 2432 1 1 2135 2345 1 1 1894 1908 2714 2898 2975 3412 1 1825 3179 6540 2040 2251 2777 2432 2048 1947 2131 1884 2079 2099 404.9102 *405.2733* 405.2733@1.1487529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 405.2733 *405.2962* 405.2962@1.1963733 1 1 1 2131 1 1 1 1 1 1 12395 11766 1 1 1 1 1171 1 1 1 1 1 1 1 1316 1113 8019 7918 1 1 1 1 1 1 1 1 3599 3045 1 1 1 1549 1 1 14923 15097 1 1 1 1 1 1 1 1 3513 2061 1 1 1 1 4052 4221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14105 15851 1711 1279 1 1 1 1 1 1 405.2962 *405.7284* 405.7284@0.754196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1441 1781 1 1 1 1 1 1 1 1 1 1 1 1 1683 1860 1 1 1 1 1 1 1 1 1 1 3001 2513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 405.7284 *406.0125* 406.0125@0.8353365 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 1 1 1 1 1 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 1490 1 1 1 1 1 1 1 1 1 1 1 1 406.0125 *406.0202* 406.0202@2.3374484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2754 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 1 406.0202 *406.0207* 406.0207@1.196454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 406.0207 *406.0211* C27 H6 N2 O S 1388 1 1 1 1 1 3508 2789 1 1 1 1 1 4221 1 1 2288 1 1 1 1 2124 3213 1 1 4905 5531 3683 3009 5772 1 2099 1 1 1 1 1 1 1 1 2361 1 1 1 1 1 1 1 2994 2771 2281 5656 1 1 4837 3748 2211 2574 1 1 2569 3069 1 1 3258 3734 5713 5873 1 1 1 1 2740 2933 1 1 1 1 1 1 5629 2424 6162 4755 4629 3943 5635 5855 5140 3905 406.0211 *406.0843* 406.0843@2.6517615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 406.0843 *406.1571* 406.1571@1.6295588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3719 1 1 1 1 1 1 1 1 1 1 406.1571 *406.1755* 406.1755@1.1868398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 406.1755 *406.2021* 406.2021@1.178131 1 1 1 1 1 1 1 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 1045 1 1 1 1 1 1175 1 1 1 1 1022 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 1 406.2021 *406.2494* 406.2494@1.1030146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.2494 *406.2902* 406.2902@1.2015188 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.2902 *406.3078* 406.3078@1.9855037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.3078 *406.3148* 406.3148@1.9733255 1 1 1 1 1 1 1 1 1 1 5442 8220 1 1 1364 1980 1 1 2755 3825 1 1 1 1 1 1 1 1 2949 3841 1 1 1663 1 1 1 3831 4128 1 1 3734 1 2293 2711 1 2417 1 1 1 7684 4672 1 4218 3762 1 6048 1 1 4650 1 9593 10241 12732 12857 1 1 1 1 6965 5882 1 1 1 6624 1 1 1 5300 1 1 1 1 5841 1 1 1 1 6290 1 1 406.3148 *406.3157* C20 H46 N4 S2 1 3069 4467 4382 3596 3871 6827 6072 3011 2481 1 1 1 1 1 1 2639 3066 1 1 4605 4294 2934 2449 3692 3775 6775 7092 1 1 3961 3922 1 1362 5166 5284 1 1 3488 3313 1 3957 1 1 1 1 7597 8687 4814 1 1 4170 1 1 6515 1 3456 3316 1 4796 1 1 1 1 6878 6742 12513 12135 1 1 6293 5821 6481 1 4552 5681 4271 1 5459 5457 6576 6208 1 6160 7313 6540 6398 1 3688 3095 406.3157 *406.9056* 406.9056@1.6189387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1419 1 1 1685 1693 1 1 1 1618 1 1 1 1 1 1 2298 1979 1415 1 2266 2204 1 1 1 1935 2470 2547 2730 2743 1382 1 2845 1 1960 2238 2413 2198 1 2011 1841 2039 1790 1718 406.9056 *407.0526* 407.0526@1.5328751 1 1 1 1 1 1 1 1 1 1 3044 3196 1 1 1 1 1 1 2483 1 1 1 1 1 1 1 1 1 1 1 1 1 2743 3215 1 1 1 1 1 1 1 1 1 1776 1 1 1 1 1 3329 2730 1 1 1 1 1 1 1 1 1 1 5479 1 1 3827 2747 2523 1 2895 2897 3894 1960 1 1 1 1 4319 3674 2088 1 3521 3242 3759 2306 5274 6499 4000 4934 1790 1 407.0526 *407.0542* 407.0542@1.4971516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 407.0542 *407.0697* 407.0697@0.76099813 1 1 1 1 1 1 3650 3261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1357 1380 1 1 407.0697 *407.1968* C16 H31 Cl2 N7 O 1 1 1 1 1 1 1 1 1394 1462 1 1 1 1107 1 1 1179 1040 1 1062 3472 3452 3766 3763 1 1 1 1 3032 2978 2860 2924 1 1 1636 1472 1 1 1 1 1995 2047 1 1 1 1 1 1 1 1 1218 1563 2927 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 1398 1308 1386 1272 1378 1412 1 1 1 1 2620 2701 407.1968 *407.2994* 407.2994@1.1987177 1 1 1 1 1 1 1 1 1 1 1 1 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 1700 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 1 407.2994 *407.9804* 407.9804@3.058984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 407.9804 *407.9849* 407.9849@2.9914346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1526 1 1 1 1 1 1 1 1 1 1 1052 1496 1 1 1319 1 1 1 1 1 1 1 1 1 407.9849 *408.0119* 408.0119@2.9601822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 408.0119 *408.0181* 408.0181@2.944349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 408.0181 *408.0292* 408.0292@2.916636 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 1916 1 1 1608 1 2933 4709 1 1847 2465 2203 1 1 1 1 1 1 1972 1 1485 1 1 1 1 1 1986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.0292 *408.0364* 408.0364@1.435714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3331 3562 1 1 1 1 1 1 1 1 1 2728 1 1 1 1 2639 1 1 1 1 1 2773 2009 2757 3439 1 3246 1 1 408.0364 *408.0499* 408.0499@1.9596385 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.0499 *408.1754* C25 H28 O3 S 6237 5843 6462 6854 6380 6978 8457 8050 5796 5328 5392 1 8361 6844 1 5760 4767 3937 6958 6834 5659 1 6826 5846 4511 4866 1 4672 4820 4034 6682 6018 5601 5917 4801 4633 1 1 5160 5420 4851 5425 4055 4603 4717 4685 4392 1 1 1 2195 2352 4867 4989 3065 3600 4681 4575 1849 2550 3898 5120 1 2195 2643 2181 3221 2555 2109 2406 2201 1171 1751 1523 1 2217 1 2594 4476 4049 2161 1392 1405 1734 1 1818 2085 2389 1 1 408.1754 *408.1797* 408.1797@1.0473437 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.1797 *408.1934* C18 H36 N2 O2 S3 5578 4852 4354 4536 4290 4163 6297 6272 8788 8443 3563 3614 7680 7508 4241 4442 6856 6642 7407 8234 18923 18452 21692 21250 3764 3297 7012 5702 17897 17355 16097 16564 7202 8093 8932 9811 3562 3743 1480 1362 11910 11165 1 1 1 1 1 1 1898 1344 7884 7841 14520 15193 2221 2369 2789 3319 1766 1807 1190 1 1 1 1612 1974 4443 3850 5498 5444 1 1 2030 1960 2688 2210 1 1 8029 7914 7418 7766 7997 6868 1 1 7891 7952 14774 14334 408.1934 *408.2069* 408.2069@1.1927845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 408.2069 *408.2112* Phe Arg Ser 1 1815 1 1845 1604 1674 3516 3275 1 1567 1472 1 1305 1306 1896 3131 1696 1936 1726 1787 1935 1693 1880 1761 1 1415 1829 1935 1 2132 1976 1965 1599 1558 1 1946 2879 1763 2113 1731 4305 4124 1438 1 1256 1 1 1562 2774 3346 1794 1842 2521 1470 1673 2003 1898 1636 1789 2846 4576 3234 1651 1609 1 1 1897 2873 2700 1819 1184 1 2684 1737 1277 1233 1 1541 1064 1024 2053 1678 1823 1848 2403 2637 1425 1516 1455 1604 408.2112 *408.2606* C17 H37 Cl N6 O3 3072 2997 2553 3096 6688 7577 1 5127 6205 6180 6206 6060 7494 7334 1 8336 8895 9016 1 7511 6261 6210 5762 1 4082 4311 3921 3332 1 1 4484 4757 5592 5330 3804 3629 3473 3483 3928 4424 1 5324 3977 4479 2582 1975 2049 2271 1 4240 1 6146 1 5532 4696 4589 1049 1060 4287 4378 5336 5294 1 3893 4446 4326 2672 2866 5282 4774 6057 5681 8735 3374 1816 1866 4153 4464 3880 3836 4653 1 1 1 1 1 3188 2836 1795 1913 408.2606 *408.2853* 408.2853@1.6616619 1 1 1 1 1 1 11560 14166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3171 3743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.2853 *408.2963* C21 H45 Cl N2 O S 1 1 1208 1 1280 1464 1482 1459 1 1 3694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4915 5315 1 1 1 1 1335 1 1 1 1 1 1015 1159 1 1 1 1 1 1 1 1 3193 1 1255 1334 1 1 1584 1569 2492 2482 1 1 1202 1 1 1 2791 1981 9555 10443 1 1145 1568 1634 1887 2354 1738 2737 1 1 1 1 1 1872 1654 1660 1613 1208 1500 1603 1 1 408.2963 *409.2251* 409.2251@1.0472207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2464 2798 1 1 1 1 1 1 1 1 409.2251 *409.2442* 409.2442@1.0176458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 409.2442 *410.0173* 410.0173@1.0484788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9562 9314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.0173 *410.0329* 410.0329@2.9318793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4442 3646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.0329 *410.0342* CEFTIBUTEN 1656 1 1587 1 1957 1931 2466 2903 2637 2148 1882 1893 2085 1920 1399 1 2820 2872 1 1319 2367 2477 2985 2960 2170 1671 2397 2712 1 1 2546 2520 1 1152 2454 2491 2159 2415 2655 3029 2040 2238 2456 2123 1 1304 1 2571 1609 1504 2664 2502 2021 2208 2564 2721 1375 1347 2780 2891 3346 2883 2166 2128 2556 1909 1789 2080 2537 2511 1 1 2528 2824 1661 1650 2141 1724 2329 2470 1 1340 1743 1681 1 1 1516 1 5242 6532 410.0342 *410.0802* 410.0802@1.9603709 1 1 1 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 1 410.0802 *410.137* 410.137@1.9352955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1169 1 410.137 *410.1498* 410.1498@1.3988236 1 1 113981 105028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.1498 *410.1499* 410.1499@1.5365088 1 1 16331 18517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.1499 *410.2013* 410.2013@1.1986434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1504 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 1891 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 1 410.2013 *410.2741* C28 H39 Cl 2881 3535 4194 4602 9150 9293 6998 7712 8483 8758 8865 8265 9708 10120 11508 11486 13085 12543 10603 9828 8187 8304 7363 7826 5205 5513 5234 5032 6741 7213 5986 6293 7782 7591 4350 3344 4694 4297 5729 5594 7944 8198 5583 5430 4253 2692 2245 2733 5326 5241 9841 9758 10616 10093 7393 6923 1 1 6948 6390 8599 8316 6779 6298 6888 7178 4714 4933 7251 7501 8724 8406 1 3541 2401 2432 6808 6190 6124 5483 6576 7447 10444 9847 1 1237 5320 5112 3971 3663 410.2741 *410.2819* 410.2819@1.0136478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 410.2819 *411.0944* 411.0944@1.6093396 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 411.0944 *411.0954* 411.0954@2.0684876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 411.0954 *411.1666* Glu Tyr Thr 5023 4673 3918 2762 3863 4191 4463 4334 4724 3514 5776 5179 4899 4546 5355 6005 5982 6338 3679 4166 5845 5241 3866 2888 4461 4533 4576 4883 4373 5628 4672 4269 3283 3511 2507 2798 3447 4076 3764 3698 5372 1081 2587 2836 5527 4654 2777 2304 3243 2696 3796 3283 2587 2898 2739 2726 1732 1702 3048 2840 3099 3876 4480 4145 2974 3139 1963 1786 2655 1642 3646 3235 1957 2121 1817 1802 2080 2192 5785 5086 3352 2780 4273 4230 2406 2312 2806 2523 2735 2694 411.1666 *411.1687* 411.1687@0.9240947 1 1 1 1 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 3893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.1687 *411.2954* 411.2954@1.1844014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 411.2954 *412.0806* 412.0806@1.6227176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3850 1 1 412.0806 *412.0989* 412.0989@2.0562203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3717 1 1 8657 1 1 7293 1 1 1 1 1 1 1 1 3999 1 1 1 1 6046 1 1 1 1 1 1 1 1 1 1 8685 8089 1 1 1 4891 1 1 1 1 5949 1 412.0989 *412.1008* 412.1008@2.05537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6344 1 1 1 1 1 1 1 1 1 1 1 1 3453 1 1 1 1 4430 4362 1 1 1 1 1 1 6899 1 1 1 7992 1 1 1 1 1 6955 6691 1 1 1 1 1 1 1 1 1 1 9194 1 2145 1 3059 1 1 1 1 1 1 1 1 1 4868 1 1 1 1 1 412.1008 *412.1038* 412.1038@0.97068477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1319 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.1038 *412.2424* C17 H36 N2 O9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 1 1 1 1119 1 1 1 1 1 1 2248 2298 1447 1485 1174 1355 1459 1439 1 1 1629 1093 1 1 1 1583 1519 1273 1395 1360 1587 1588 2018 1367 1886 1737 1578 1474 2347 1584 5315 4768 1319 1589 3171 3436 2542 2424 1 1086 1 1 1285 1484 1 1 1505 1369 1114 1060 1 1887 1307 1201 1 1 1081 1086 2264 1920 412.2424 *412.2469* 412.2469@1.1892624 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 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 1915 1 1 1 1 1 1 1 1 1 412.2469 *412.2944* 412.2944@1.0086967 1 1 1 1 1 1 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 5036 1 1 1 1 1 1 1 1 7722 7241 1 1 1 1 1 1 1 1 6058 6148 14870 15157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1682 3835 1 1 1 1 1 1 1 1 1 1 12423 12059 21816 22284 1 1 1 1 1 1 412.2944 *413.0665* C27 H11 N O4 1 1 3091 1 2124 2334 1 5658 1 1 8517 8309 1 3204 1 2448 3057 3662 4221 5996 7079 3437 1 1766 1 1 3993 3611 1 1 4117 3082 5494 1 1 1 1 4994 1 1 1 3174 1 1 1 1 4270 4867 4604 1 12983 3789 4043 3650 1 1 1 1 1 1 11955 13089 4347 1 5451 4090 4471 3045 1 4364 7046 7769 1 8306 1 4350 8255 8414 3109 1 4271 5944 4983 7883 8454 10908 7107 14504 2392 2768 413.0665 *413.3105* 413.3105@1.1719317 1 1 2014 1875 1 1 1 1 1 1 8623 8391 1 1 1 1 1 1 1 1 1 1 1 1 2191 2497 8965 8874 1 1 1 1 1 1 1 1 4038 4673 1 1 1 1 1 1 11494 11590 1 1 1 1 1 1 1 1 2611 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 2744 3561 1795 1502 1 1 1 1 1 1 413.3105 *414.0543* 414.0543@1.2989191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.0543 *414.0759* 414.0759@1.5031248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3317 1 1 1 1 1 1 1 414.0759 *414.0823* C15 H25 Cl3 N4 O S 2038 2355 1 1412 2131 1 7054 3120 2645 1900 3730 3558 3639 3457 3479 7185 3881 8299 1 1800 3660 6514 1 1813 5370 1 2893 6307 3269 2810 1773 2241 1 1334 1505 1580 1806 2271 1737 1940 2462 2859 2050 1627 3360 3792 1 1147 1 1 1883 2147 1657 1630 1643 1818 1224 1426 1202 1 1 1423 2152 2211 1170 1401 1140 1089 1 1243 1 1251 1622 1 1065 1 1226 1496 1626 1348 1439 1572 1302 1795 1 1003 1 1 1528 1328 414.0823 *414.098* Adriamycinone 1447 1482 1290 1139 1 1 1 1 1 1456 1407 1285 1 1 1388 1640 1577 1438 1 1 1006 1 1 1 1 1350 1179 1 1 1 1256 1 1 1 1 1 1 1532 1 1 1 1 1 1 1179 1 1816 2109 1 1 1 1 1 1 1 1724 1 1 1363 1139 2201 2824 1619 1553 1756 1640 2441 2607 1444 1489 3608 3089 1 1 1 1451 1325 1551 1 3011 1 1716 1 1 1292 1161 1404 1244 1 1 414.098 *414.0995* 414.0995@2.0395103 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 1588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1528 1 1 1 1 1 1831 1 1 1 1 1 1 1 1 1 414.0995 *414.2133* 414.2133@1.0860468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 414.2133 *414.2278* 414.2278@0.8141052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3964 3592 1 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 1 414.2278 *414.2743* 414.2743@1.0372306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1810 1587 1 1 7710 8641 1 1 1 1 1 1 414.2743 *414.9334* C10 H9 N O11 S3 3098 3227 2997 3174 3293 3724 3199 3153 2880 2899 2867 3342 3332 3605 2735 2874 3048 1 2637 2878 2818 2598 2741 2917 2366 2616 1 2638 2214 1911 2642 2699 2691 2768 2988 2983 2866 2933 2521 2417 2647 2394 2460 2731 2476 2698 2578 2490 2559 2489 1 2680 2737 2500 2504 2603 2892 1 2511 2449 2392 2624 2201 2425 2919 2634 1 2338 2011 2196 1758 2149 2429 2266 1 2250 2391 2292 1 1 2346 1 2204 2166 2262 2086 1773 2178 2429 1930 414.9334 *414.9894* 414.9894@1.1271222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 414.9894 *415.0434* 415.0434@1.4149957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 415.0434 *415.3275* 415.3275@1.1930351 1 1 2064 3880 1 1 1 1 1 1 14941 18799 1 1 1 1 1 1 1 1 1 1 1 1 4624 3133 16063 15929 1 1 1 1 1 1 1 1 7841 11650 1 1 3883 6629 1 1 23890 25914 1 1 1 1 1 1 1 1 7236 7340 1 1 1 1 1 1 1 1 1 1 1 1 1798 1475 1 1 1 1 1 1 1 1 1113 1 10213 10881 7304 8246 1 1 1054 1172 1 1 415.3275 *415.3277* 415.3277@1.1485147 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 1347 1 1 1 1 1 1 1 1 1 1 2299 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 1 415.3277 *416.0224* 416.0224@2.0821233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.0224 *416.0801* C19 H20 N4 O S3 2433 2628 1542 1449 2378 1 1 3493 1 2732 3043 3192 5417 5506 4233 1 3723 1 2178 2234 3443 1 1699 2101 1 2375 2583 1 2753 3415 1830 1849 2251 1 1 1308 1673 2097 1604 1613 2230 1899 1813 2013 2518 3732 1490 1 1 1669 2255 3302 1549 1 2128 1508 1875 1426 1295 1383 1484 1210 1 2225 1346 1287 1 1879 1 1017 1 1 1143 1 1 1 1 1197 1457 1 1542 1606 2326 1505 1 1300 1 1 1461 1390 416.0801 *416.0946* C17 H17 Cl N8 O S 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2356 2770 1 1 1432 1610 1 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 1974 2190 1613 1623 1 1 1 1 1932 1866 2316 1936 1 1345 1 1 1 1 1 1 1 1 1 1 1 1 1541 1451 1 1456 1910 1842 1484 1 1562 1741 1765 1950 4604 2746 416.0946 *416.2103* 416.2103@1.0627289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4708 1 1 1 1 1 1 1 1 416.2103 *416.2534* Alfentanil 1 1 1 1 1 1566 1 1 1334 1283 1 1 1 1 1 1 1508 1374 1 1 2206 2280 1 1768 1 1 1 1 1 1 1 1741 1 1 1274 1189 2471 2310 1628 1384 4347 4258 1 1 1 1 1 1 1 1 4204 4113 5705 4147 2433 2229 1 1 1 1 1 1 1 1 4065 3965 2244 2040 4732 5547 1452 1290 1226 1278 1 1 1 1 6952 6726 1 1 8082 8537 1 1 2282 2868 2835 2751 416.2534 *417.2137* 417.2137@1.0622483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2132 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 1 417.2137 *417.341* 417.341@1.1932778 1 1 1 1 1 1 1 1 1 1 2045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2762 2874 1 1 1 1 1 1 1 1 1 1 1 1 1139 1152 1 1 3845 3814 1 1 1 1 1 1 1 1 1166 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 1 417.341 *417.8879* C16 H Cl3 N4 O2 S 1 1 1 1 1 1 1 1220 1063 1 1082 1 1 1 1 1 1 1 1 1 1179 1 1195 1 1 1 1034 1257 1 1 1 1 1 1 1 1221 1 1 1 1193 1 1381 1 1 1 1 1 1284 1 1194 1197 1506 1234 1 1 1 1 1308 1 1 1057 1352 1327 1 1320 1136 1222 1164 1445 1399 1851 1389 1 1155 1 1314 1275 1573 1578 1442 1202 1569 1336 1499 1568 1649 1282 1512 1321 1 417.8879 *417.8951* 417.8951@5.5508385 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 417.8951 *417.9525* 417.9525@0.84005785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 417.9525 *418.0773* 418.0773@2.983762 1 1 1 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 1 1 3297 1 1 1 1 1 1 1 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 2984 1 1853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.0773 *418.0774* 418.0774@0.8238591 1 1 1 1 1 1 11207 1 1 1 1 1 1 1 1 1 11968 1 1 1 1 14269 1 1 1 1 1 3106 1 1 1 1 1 1 1 12908 1 1 1 1 1 1 1 10189 1 1 1 1 1 6711 1 1 1 1 1 1 1 1 1 1 1 14032 1 1 8119 1 1 1 11018 1 1 1 1 17131 1 11741 1 1 1 1 1 1 1 6011 1 1 13125 16422 1 1 418.0774 *418.0776* 418.0776@2.9694698 2278 1 1 1 1 1 1 1 1 1 1 7875 1 1 1 1 10826 1 1 1 4199 1 1 7341 2950 1 4482 4179 1 8117 1 1 5859 1 1 1 1 2481 7849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2423 2158 1 1 4301 2626 10388 1 1 7402 6594 1 6494 4943 1 1 8402 1 4405 8393 1 6387 1 1 1 1 1 2571 1 1 1 1 1 5537 1 1 418.0776 *418.0778* C26 H14 N2 O2 S - 1.9784634 1 18176 16886 15574 17409 12092 17330 9038 11958 18777 20328 19045 15604 11024 7958 12226 10034 20986 14317 12088 19190 13677 8940 6828 18054 7252 10176 18548 16911 15688 10075 12111 15520 9818 15900 16793 15789 15687 19000 19167 18319 9623 16553 16690 11326 17209 7375 16000 10078 18852 10636 19176 7139 9931 15363 19822 17778 14659 12679 20199 14974 17983 16387 16618 9053 9720 11363 14746 16099 18583 24147 17338 15432 15063 16057 15510 10140 8158 13024 1 7971 16363 10838 7492 12474 10454 8530 8756 16144 17139 418.0778 *418.0779* C18 H10 N8 O5 32424 24433 28809 32429 33761 36899 32053 32256 42593 38625 34231 36897 36674 40634 30862 31309 36058 36860 36642 35107 41083 35063 32945 24389 38974 36740 36134 32405 33344 43872 28693 28642 35089 32580 37757 33061 28319 28343 36034 38229 34394 35924 43793 32988 42856 40190 29442 37226 29945 31346 33815 34104 34153 32918 47826 50776 45724 34308 33315 21337 37055 37800 34208 49410 35052 38904 31800 39779 34496 40566 47666 45323 38093 41539 33987 34503 36361 39237 36081 30113 38299 38006 45181 44725 52069 42646 39889 30947 34333 35788 418.0779 *418.0779* C19 H14 N8 S2 15403 16626 12176 11539 15004 14418 16041 16110 16898 19027 15674 14771 19009 17690 17024 17019 13333 14127 17303 14365 14991 18605 18113 18040 12818 15690 18194 14427 18955 19344 16148 14317 13672 15520 16516 17568 16804 16946 12832 12914 17071 18763 15759 16833 14857 16226 15531 17396 13509 18484 19344 19817 21571 21208 11685 15268 17572 18562 18929 18537 12989 16976 14912 13684 18218 19173 14206 16904 14870 12526 21594 21582 19241 21182 20163 18789 20599 20134 15020 13596 18205 17687 17485 17835 17188 17522 13097 16551 24421 20665 418.0779 *418.0779* 418.0779@2.0367794 19931 1 1 1 1 1 1 11335 6541 1 1 1 1 7067 5447 7917 7397 1 1 6355 1 1 9104 6537 1 1 7356 1 1 1 5865 1 1 3907 1 1 1 1 1 1 1 7802 1 1 1 1 9260 1 7893 1 8025 1 8778 6650 1 1 1 1 6330 1 1 1 1 1 7859 11014 1 1 1 1 1 1 1 1 1 1 10029 8151 1 1 11374 1 7999 7350 7493 7593 9595 8283 1 1 418.0779 *418.0782* C26 H14 N2 O2 S 1 1 9311 12929 1 1 2491 13913 7359 10140 11161 10244 1 1 20588 21330 4038 10159 11638 3022 13274 1971 10511 13134 1 13534 10364 9251 8496 3475 12773 13579 13208 13104 10935 1239 11592 11721 15683 11232 3360 1 1 2071 1 12330 1 7892 6990 2885 9450 14799 14310 15588 1 1717 1 12919 12881 16804 12585 3941 8309 1 3108 10719 1 1 3174 9078 7920 9333 15598 3005 18621 3513 9052 1 12603 14475 13147 10533 1 3031 1 2185 3292 3364 12802 11947 418.0782 *418.0783* 418.0783@1.1720338 1950 1 1 1 1 1 2281 1 1 1 1 1 1 2282 1522 1597 2396 1 1 1 2167 1869 1 1 1441 1 1 1 1518 1 1 1 1 1263 1 1 1702 1 1 2082 1 1 1732 2066 1 1 2673 2305 1538 1 1 1 2086 1 1 1 1587 1890 1715 1 1 1 1842 1 1 1782 2754 2336 1731 1572 1 1 2478 1 2768 1 1358 1 1 1 2550 2730 1 1 1 1 1 1 3013 2773 418.0783 *418.0789* 418.0789@1.6447377 5942 5317 9575 1 1 1 1 1 1 1 1 1 1 9057 7530 1 4413 1 1 6518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11561 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 16607 10708 1 1 1 1 1 1 1 1 1 1 418.0789 *418.0805* C22 H14 N2 O7 2756 1 5144 14636 7893 1 1 1 9269 9388 9832 1 9802 3243 2652 7491 1 1 10846 3467 1 1 6601 8622 9302 1 12874 12971 7777 6123 9086 11273 10344 7695 6515 5388 1 6036 1983 12275 1 1 9125 9896 10992 12327 1 2775 1 1 1 1 1 2837 1 1 12084 10888 1 1 1 1 1 1 1 1 1 1 8136 10117 1 1 1 4847 1 3798 1 1 1 6806 1 1 1 1 11045 10809 1 9211 1 1 418.0805 *418.1944* 418.1944@1.9636636 1730 1 1 1 1 1 2274 2207 1 1 1 1 1 1473 1 1694 2259 1 1 1478 1902 1435 1807 1491 1 1236 1 1 1613 1 1 1 1663 1 1 1 1 2450 1 1 3796 1477 1348 1 1 1 2505 1 1960 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 1 418.1944 *418.1969* 418.1969@1.2653648 1 1 1 1 1 1 1 1 1 1 1 1 1843 1659 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 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 1 418.1969 *418.1973* 418.1973@0.9486052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 418.1973 *418.198* 418.198@1.6495447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3236 3052 1 1 1 1 1 1 1 1 1 1 418.198 *418.2016* 418.2016@1.9568344 1 1 1 1 1 1 1 1 1 1 1 1 6650 1 1 1 1 1 1569 1 1 1 1 1 1 1 1 1 1 11070 1589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.2016 *418.2327* 418.2327@1.1664841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2059 1 1 418.2327 *418.2492* 418.2492@1.056779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 3111 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.2492 *418.2598* 418.2598@1.0478922 1 1 1 1 1 1 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 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 1950 1 1 1 1 1 1 418.2598 *418.2681* 418.2681@0.9877731 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.2681 *418.2909* 1beta,25-dihydroxy-3-deoxy-3-thiavitamin D3 / 1beta,25-dihydroxy-3-deoxy-3-thiacholecalciferol 3740 4093 5692 5838 8670 9378 7694 7751 7935 8139 7902 8018 10281 10061 9910 9795 10727 10546 9270 9385 8375 8095 7432 8237 7942 8168 7998 7867 9974 10061 8758 9532 8085 7914 5752 5830 5655 5618 6380 6553 9536 8548 6828 6980 5496 5334 5080 4870 5743 5650 10840 11056 12319 12611 8440 8238 1885 2229 7316 7547 8887 8837 10225 10191 8983 8033 7647 7310 10696 10717 10096 9189 6523 6626 4717 5101 9536 9026 9257 10296 9540 10753 14778 13231 1601 1576 6876 7521 5150 4991 418.2909 *419.0798* 419.0798@1.315378 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.0798 *419.0806* 419.0806@2.0213342 1 1 1 2430 1 1 1920 1 1 1 1 1 1846 1 4435 1 1 1 1 1 1 1 1 4577 1661 4653 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 5096 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 5309 1 1 1 1 1 1 419.0806 *419.0811* 419.0811@0.7939637 2358 1 4063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 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 2976 2705 1 1 1 1 1 1 1 1458 1 1 1 1 1 1 1 1608 4589 1 1 1 1 1 1 1 1 1 1 2900 1 1 1 2706 1 1 1 1 3041 1 1 1 1 1 419.0811 *419.0811* 419.0811@1.6970196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 419.0811 *419.2776* 419.2776@1.2000068 1 1 1 1 1 1 1 1 1 1 2476 1539 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 2535 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 1659 1 1 1 1 1 1 1 1 419.2776 *420.0485* 420.0485@2.2641113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6013 7595 1 1 1 1 1 1 1 1 1 1 420.0485 *420.0948* 420.0948@1.7228752 1 1 70616 90655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1808 1786 1 1 1953 1623 2421 2198 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.0948 *420.0959* 420.0959@1.4043281 1 1 357643 338457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.0959 *420.2486* 420.2486@1.2869773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4454 1947 1 1 1 1 1 1 420.2486 *420.2526* 420.2526@1.1856208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1528 1286 2406 1 1 1 1 1 1 420.2526 *420.2684* 420.2684@1.4195487 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.2684 *420.3055* 420.3055@1.9991481 1 1 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 1850 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 2168 3473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.3055 *420.3062* 3D,7D,11D-Phytanic acid 6610 6462 9151 10347 12605 12604 10006 11415 14944 11567 11600 10734 15331 14378 13927 15323 17332 14905 13131 15132 12337 12654 11725 12318 11664 12442 11928 11631 16909 17499 13756 15412 14248 11779 7390 7593 7994 7970 9196 13696 13336 12910 9862 9653 8384 7574 7823 7231 8983 11974 17189 15396 17923 16581 11935 13915 1884 2493 12446 10843 14694 13047 16678 16262 13968 13546 10782 11472 15771 14657 14136 13997 10266 9968 6323 6312 13110 13651 13821 14479 15390 15268 17887 18578 3807 3996 10912 13096 8398 7732 HMDB00417 420.3062 *421.0854* 421.0854@0.7618918 1 1 1 1 1 1 1252 1202 1 1 3559 2914 1 1 1 1 1269 1204 1571 1482 1 1 1 1 1 1 1557 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 2719 2882 1 1 1494 1509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4409 5092 1 1 421.0854 *421.1709* 421.1709@0.71153885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1864 1 1 1 1 1 1 421.1709 *421.2837* 421.2837@1.1829075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 421.2837 *421.2932* 421.2932@1.1969119 1 1 1343 1395 1 1 1 1 1 1 11396 6838 1 1 1 1 1 1 1 1 1 1 1 1 1067 1 7110 6465 1 1 1 1 1 1 1 1 2625 4098 1 1 1686 1463 1 1 14422 14011 1 1 1 1 1 1 1 1 2658 1773 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 1377 1 1 1 1 1 1 1 421.2932 *422.156* 422.156@1.1875559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3433 3040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2329 1 422.156 *422.1605* Losartan 22846 23450 22261 20180 32514 36326 26091 28243 34777 34459 29321 30316 29590 32924 46533 45255 41658 39890 43599 46200 34579 33616 30730 32159 20605 22263 21643 18652 17869 20487 21910 23252 30502 30433 23431 22441 22227 21764 19887 20350 31120 30573 21315 21881 18063 17973 25147 24790 26326 28058 32092 31749 28985 28471 30845 31874 20817 20586 30121 30006 36995 37521 20922 22431 26975 27071 18069 18319 22650 20450 23799 23846 21273 20266 15790 16289 29093 27707 18775 17435 17849 17209 27004 27995 13153 13085 16550 16691 18059 17316 C07072 422.1605 *422.1636* 422.1636@1.1779816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2786 422.1636 *422.2325* 422.2325@0.798894 1 1 1 1 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 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 1017 1 1 1 1 1 1 1 1 1 1 1 1 1304 1096 1 1 6458 6156 1 1 1 1 1 1 422.2325 *422.3137* C19 H43 Cl N6 O2 1 1 1 1 5105 4424 2100 1 1 2281 3827 2148 1 1 4323 4271 1 4265 1901 1 2899 2706 1 1319 1574 2014 1 1 1 1 1 1108 1 3953 4723 4786 1 1 4360 1 2230 3424 1205 1906 1 1 1 1 1597 1 5511 5481 1592 2511 2853 1 1 1 4280 4061 1 1387 1 1 1 3989 1 1 1 1846 4411 2842 1 1 1 1 1 1 1 1 1 1 4801 5004 1 1 1006 1 1 1 422.3137 *422.321* 422.321@1.066501 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 1 1 1 1 4593 1 1 1 2581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.321 *423.3027* 423.3027@1.2050796 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 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 1 423.3027 *423.986* 423.986@2.317577 1 1 1 1 1 1 2313 2655 1 1 1 1 1 1 1 1 1 1 1 1 1 1859 1 1 2614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2660 3013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3726 1 1 3481 1 1 1 1 2652 1 423.986 *424.157* 424.157@1.1902325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 424.157 *424.1652* 424.1652@1.4944503 1 1 14939 18055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.1652 *424.1662* 424.1662@1.3968177 1 1 8535 8496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.1662 *424.2054* 424.2054@0.71155506 1 1 1 1 1 1 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 2031 1 1 1 1 1 1 1 1 1439 1 1 1 1 1 1 1 1 1 1 1 1540 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 1 424.2054 *424.9689* 424.9689@0.79229665 1 1 1167 1172 1 1 1 1 1 1 3439 2960 1 1009 1 1 1144 1103 1200 1307 1244 1075 1 1 1 1 1 1139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1112 1256 1 1 1 1 1 1 1111 1022 1 1 1 1 1142 1132 1 1 1032 1047 1 1 1248 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1138 1760 1238 1309 1 1 424.9689 *425.0828* 425.0828@2.0487282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1556 1198 1 1 1 1 1 1 425.0828 *425.1609* 425.1609@1.1210716 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 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 1 425.1609 *425.1826* desmethylnortriptyline glucuronide 1610 1733 1382 1559 1621 1731 2243 2433 2111 2401 2352 2487 2597 2452 3776 3680 3848 4025 1758 1866 2587 3007 1744 1456 1444 1758 2018 1733 3385 3861 2617 2012 1553 1264 1 1 1630 1941 1713 1819 1783 2114 1 1 3357 2387 1 1 1 1 1961 2178 1779 1509 1259 1479 1 1 1435 1364 1796 1921 2132 2432 1581 1387 1 1 1 1 1219 1403 1 1 1148 1 1 1373 2263 2447 1431 1498 1943 1872 1 1 1583 1183 1357 1 425.1826 *426.0725* 426.0725@2.8245666 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.0725 *426.0831* C30 H15 Cl O 1 1 1 1 1 1 1 1489 1 1 1 1 1 1 1 1 1773 2000 1553 1549 1 1 1949 1942 1 1 1 1 1 1 1 1 1 1 1 1 2109 1659 1 1 2172 2370 1 1 1 1 1 1073 1 1824 3034 3389 3054 2877 1472 1 1 1 2456 1 2982 2914 1979 1803 1 1206 1 1 1 1 1 1 1529 1604 1 1 2379 2505 1 2187 3449 1 2540 2770 2286 2523 1451 2041 3388 3919 426.0831 *426.1199* 426.1199@0.9626695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1171 1603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.1199 *426.1463* 426.1463@2.0401275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1274 1 1 1 1 1 1 1 1 426.1463 *426.1509* 426.1509@1.1161674 2159 1609 1 2356 1786 1 1656 1 1 1 1 1 1 1 1 1 1 1266 1 1 1 1309 1 1 1467 1 1561 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.1509 *426.1863* 426.1863@3.0547006 1 1 1 1 5748 6458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.1863 *426.3117* (22E,24E)-1alpha,25-dihydroxy-22,23,24,24a-tetradehydro-24a-homovitamin D3 / (22E,24E)-1alpha,25-dih 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3834 3697 1 1 1 1 1 1 99527 101509 15353 14781 9707 9863 4462 3700 3476 3391 114369 112259 1365 1262 3939 3554 1734 1945 4275 4428 118931 121590 275254 277926 2082 1 1 1 1 1 1 1 1 1 4629 3601 4866 4086 53391 52806 1303 1366 2056 2469 7064 6976 1 1265 3413 4380 202651 206640 264233 261973 1 1 2037 1950 9354 8908 426.3117 *427.0294* 427.0294@2.1715405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 427.0294 *427.107* 427.107@1.6076461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3943 4928 1 1 1 1173 1764 1821 1 1043 1 1 427.107 *427.3149* 427.3149@1.0449685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4965 1 1 1 1 1 1 427.3149 *428.0246* 428.0246@2.1664822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4544 4285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1373 1 1610 1 1 428.0246 *428.0973* 428.0973@0.9958843 1 1 1119 1 1 2119 2443 1186 1 1 1524 1424 1680 1335 1 2968 3381 2499 1 1 1178 1776 1115 1 1987 1 2170 2130 1560 1660 2151 1 1 1 1 1 1939 1480 2253 1 2673 1 1 1 1 1852 1 1375 1 1 1 1640 1149 1688 1282 1225 1 1 1 1 1 1113 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 1 428.0973 *428.1283* 428.1283@2.9828446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1886 1903 1 1 1 1 1 1 1 1 1 1 428.1283 *428.1316* 428.1316@5.266778 1 1 2145 5081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.1316 *428.1324* 428.1324@5.2660336 1 1 5570 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.1324 *428.1468* 428.1468@0.8982126 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 1634 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.1468 *428.1658* 428.1658@2.036533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 428.1658 *428.2071* 428.2071@0.8980313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 428.2071 *428.2117* 428.2117@0.8945281 1304 1 1 1 1088 1 1062 1467 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 1565 1103 1 1 1207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2068 1427 1 1 1 1381 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 1 428.2117 *428.2596* 428.2596@1.1918823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 428.2596 *428.2658* 428.2658@1.1905515 1 1 1 1 5407 5424 19232 19309 1 1 1 1 1 1 1 1 1 1609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2816 2910 1 1 1 1 1 1 1 1 1099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6367 6639 8109 8211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1714 1 1 1039 1 2588 1 428.2658 *428.2825* 428.2825@1.0518713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.2825 *428.8647* 428.8647@0.9010354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1433 1 1 1 1 1 1 1 1 1 1 428.8647 *429.0066* 429.0066@1.1460822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 429.0066 *429.2131* 429.2131@0.7236805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1333 1368 1 1192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2325 2402 1 1 1 1 1 1 429.2131 *429.2943* 429.2943@1.1924407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 429.2943 *429.3065* 429.3065@1.1943887 1 1 1 1 1 1 1 1 1 1 1893 2055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2314 2203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3614 3427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 429.3065 *430.0942* 430.0942@1.002824 1635 1 1038 1985 1 1 1 1 1 1 1 2039 2592 2284 2110 1 2188 1638 1835 1 1996 2385 1 1 1 2305 2112 1 1981 2344 1146 1 1 1 1 2111 1 1907 1535 1 1 2597 1 1 1 2390 1 1044 1 1167 1245 1 1 1162 1 1 1 1 1 1 1 1 1 1926 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 1 430.0942 *430.2025* 430.2025@1.0801864 1 1 1 1 1684 1849 1606 1232 1433 1950 1901 1541 1 1 2332 2885 2899 2397 1935 1734 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 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 1 430.2025 *430.2063* 430.2063@1.0787603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1331 1817 1 1333 1 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1117 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 1 1 430.2063 *430.2679* 430.2679@1.0429783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2328 2173 1 1 4698 5322 1 1 1 1 1 1 430.2679 *430.3057* 1alpha,25-dihydroxy-24-oxovitamin D_3 / 1alpha,25-dihydroxy-24-oxocholecalciferol 6960 6868 7177 10048 9957 10318 12361 11996 6525 6276 6614 7448 3145 3539 5881 6123 6662 6145 9679 9241 7424 7198 4729 4283 4203 4634 8386 8230 3925 2314 6086 6263 5696 5482 4369 4915 5712 6716 3892 2595 8566 11269 3481 2417 7811 7259 8997 9257 4810 4839 4188 4744 10783 10664 4950 4801 5296 5602 13443 14082 15379 13542 6703 6946 9230 8310 3074 2756 7712 6950 5321 5210 8847 9830 4918 5333 9063 8563 7322 6960 6635 6393 6540 5848 8591 8295 11733 12648 11663 11354 430.3057 *430.9866* 430.9866@1.1832172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 430.9866 *431.0046* 431.0046@1.1460812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 431.0046 *431.1597* 431.1597@1.019 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 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 1 431.1597 *431.3211* 431.3211@1.1927533 1 1 1179 1 1 1 1 1 1 1 9579 9099 1 1 1 1 1 1 1 1 1 1 1 1 3197 2994 11131 10850 1 1 1 1 1 1 1 1 5301 5310 1 1 1521 1 1 1 15659 15290 1 1 1 1 1 1 1 1 3284 4458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3496 4100 1493 2672 1 1 1 1 1 1 431.3211 *431.9256* 431.9256@0.902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 431.9256 *431.99* 431.99@1.2076646 1 1 1 1 1 1 1803 1813 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.99 *432.1147* 432.1147@2.179165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3676 1 1 1 1 1 1 1 1 1 1 432.1147 *432.1904* C22 H28 N2 O7 25577 25140 31066 32322 30336 34007 30847 30403 31230 31624 27882 28918 30289 31131 42894 41691 35005 34263 38506 36770 33053 33021 29934 31688 36390 37522 35257 36583 31293 33193 42658 44655 41385 43722 34343 33926 33389 34388 27809 27950 42628 42252 28535 30533 29541 29927 39502 37922 36447 37255 41892 43943 45292 44147 43910 42790 30346 29333 39858 39951 61321 51258 39036 38841 47432 34054 33268 31455 34875 33017 33042 31540 30835 32121 25694 23829 45022 43099 37902 37808 27989 28029 41037 40736 21485 21118 27852 27583 24966 25280 432.1904 *432.2067* 432.2067@1.963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 432.2067 *432.2147* 432.2147@0.74537134 1 1 1 1323 1 1 1 1 1 1 1 1 1 1 1490 1 1 1 1 1895 1 1 1103 1 1 1 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 1 1 1 1 1 1 432.2147 *432.2148* 432.2148@1.0163823 1 1 1 1 2452 1 1 1 1 1 1 1178 1272 1186 2411 2015 2638 3061 1 1 1372 1403 1 1 1 1 1288 1 1540 1592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1426 1032 1 1 1 1 1383 1416 1 1 1 1 1 1 1 1 1 14016 1 1 1 20038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22475 19620 432.2148 *432.217* 6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione 16,17-acetonide - 1.9632031 2744 2120 2240 2565 2162 2338 3571 3586 2203 2222 2499 2107 2787 8021 2508 2706 11634 3689 3048 3227 3586 3449 19826 7726 2543 2572 10795 2961 7284 4601 2385 3171 2496 2086 2958 2480 3005 2977 2437 2413 20526 4045 2755 2651 3340 2903 3238 2974 4103 6833 10857 1943 1518 1551 6816 2089 1 1573 1772 1776 1660 1739 1 1869 1470 1317 5324 1621 1477 1651 1490 1727 1 1674 1511 1851 1663 1381 1822 1 9416 1507 1982 2106 1416 1437 1548 4765 1638 13959 432.217 *432.2174* 6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione 16,17-acetonide 3570 1829 2581 2721 4101 4476 2516 4965 3640 4289 4519 4679 7223 6738 3708 4170 1 3016 5481 5359 3251 3745 4916 5234 3575 5818 4956 3729 4509 5053 4166 5136 5083 4299 4358 5866 4471 4104 3796 3232 5426 5396 4277 4080 4256 3094 2834 4686 4938 3004 3548 2927 5071 4124 3358 3202 2562 2619 2821 1 3533 3400 3331 3071 3220 2635 3259 2781 1 1 4230 3214 3773 3108 4531 4539 1987 1363 2913 3448 2999 3564 3691 3261 2612 2355 2683 2774 3289 2543 432.2174 *432.2177* 432.2177@1.6545475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9055 4906 1 1 1 1 1 1 1 1 1 1 432.2177 *432.2189* 432.2189@1.609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 432.2189 *432.2234* 432.2234@1.1952698 1 1 1 1 1 1 1 1 1 1 1 1 2273 1 1 1 6004 3826 1 1 1 1 1 1373 1 1 1 1 1 1 1 1 1 1 1 1 1 2366 1 1 1 2064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5738 6120 1886 3205 1 1 1 1 1 1 432.2234 *432.2863* 432.2863@1.0442764 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 1 432.2863 *432.2934* 432.2934@1.0457846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2882 3835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5889 5963 1 1 1 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 1 432.2934 *432.3013* 432.3013@1.0538762 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.3013 *432.313* 432.313@1.1894308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 432.313 *432.3207* 432.3207@1.1597941 1 1 1 1 1 1 2118 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 1241 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 1706 1 1 1 1 1 1 1 1 1 1 1 1701 1 1 1 1 1 1 2001 1 2393 432.3207 *432.3339* 432.3339@1.0655429 1 1 1 1 1931 1 1358 1 1222 1172 1 1229 1 1 1 1 1 1 1 1 2036 1 1 1 1 1 1 1 1 2185 1 1 1 1700 1 1 1 1 1 1 2462 2608 1 1 1 1 1 1 1768 1904 1 3538 1 1 1542 1664 1 1 1 1 1 1 1 1 1689 1617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3766 3309 1 1 1474 1382 1 1 432.3339 *432.3404* 432.3404@1.0660841 1 1 1 1 1 1674 1 1 1 1 1682 1 1 1 1991 1584 2101 2301 1070 1376 1 1396 1 1 1437 1541 1 1 2227 1 1 1 1 1 2398 2553 1 1 2331 2237 1 1 1281 1023 1 1 1 1 1 1 4304 1 1 1 1 1 1 1 2377 1936 1 1 1 1009 1 1 1 1 1 1 2119 1932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.3404 *433.0659* 433.0659@2.033277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 433.0659 *433.2223* 433.2223@1.159864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2130 1 1369 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 1 433.2223 *433.2325* 433.2325@1.1806576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 433.2325 *433.2828* 433.2828@0.9054615 1 1 1 1 1 1 1 1 1 1 2950 3076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3210 2842 1 1 1 1 1 1 1 1 1483 1298 1 1 1 1 1 1 4067 4079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 433.2828 *433.9852* 433.9852@1.2045096 1 1 1 1 1874 1833 2176 2110 1 1 2006 1 1 1 1 1 1 1 1 1 1485 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 1 1 1 1 1 1 1 1 433.9852 *434.0606* 434.0606@2.032553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1785 2494 1 1 1134 1 1 1236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1388 1601 1 1 1 1 1 1 1 1 1810 1 2882 2423 1 1 1 1 1578 1977 1 1656 1 1 1 1 1 1 1 1 1813 1 1 1 1 1 1 1397 1597 1 3119 2033 1606 1671 1299 1 1 1 4272 4371 434.0606 *434.0636* 434.0636@1.5277958 2052 1 1 1 4224 1 1 8982 1 1 1 1 1 1 1 1 5249 5389 1 6392 1 1 1 2310 2530 1 1 1 1 1 1 1 1 1 1 3790 5744 1 1 3973 4685 1 5297 5078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14312 1 1 8652 1 1 1 1 1 1 1 5943 1 1 1 1 10345 1 1 1 6441 1 1 1 1 8214 1 1 1 434.0636 *434.2094* 434.2094@1.1332116 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1524 1 1 1 434.2094 *434.2175* 434.2175@1.1443564 1 1 1 1 1 1 1 1 1 1 1 1 2166 1 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 1940 1 1 1896 1 1 1 1 3272 2453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2771 1 1 1 1 1 1 1 1 2575 1 1 1 1 3486 1 1 1 1 1 1 1 1 1 1 1 1 434.2175 *434.2246* 434.2246@1.1557152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2339 3217 1 1 1250 1 1 1 1 1 1 1 1 1 1 1 3437 3330 1 1 2790 1768 1616 1739 1307 1 2490 3015 1 1140 1165 1417 2779 1 1 1 2186 2556 1356 1 4561 3751 3146 3116 1 2123 7940 7794 2787 1 6101 1 3959 1 1103 1391 1308 1 1 3294 1491 1 2807 1 1 1 1024 1 1 2361 1 1 1 1 1 1 434.2246 *434.2383* 434.2383@1.1783943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 434.2383 *434.2414* 434.2414@1.1161911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 434.2414 *434.2557* 434.2557@1.1073014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 434.2557 *434.2707* 434.2707@1.0859509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 434.2707 *434.3225* C19 H43 Cl N8 O 1 1 1087 1160 1 1128 3175 1835 1 1 3354 1696 1 1 1 1 1 1064 1070 1 1205 1056 1 1 1013 1 1409 1375 1 1 1 1 1 1 1152 1089 1332 1408 1 1 1 1108 1 1 1112 1 3270 2435 1480 1351 1766 1296 1155 1133 1615 1730 1 1 1294 1154 4057 2350 4994 5695 1323 2772 3470 3328 2301 2379 1481 2779 3148 1806 1 1262 1031 1145 1 1 2736 3213 1444 1601 3251 1494 1494 1656 1 1 434.3225 *435.0539* 435.0539@1.4811288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1562 1 2958 1 1 1 435.0539 *435.1518* 435.1518@1.6370567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3189 2828 1 1 1 1 1 1 1 1 1 1 435.1518 *435.1546* 435.1546@2.056 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 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 1 435.1546 *435.1873* 435.1873@0.9364148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8842 9627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.1873 *435.2242* 435.2242@2.0430999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27124 22978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.2242 *435.2244* 435.2244@1.9754107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6097 7883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.2244 *435.2332* 435.2332@1.1798644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 435.2332 *435.2665* 435.2665@1.1928885 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 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 1 1 1 1 1 1 1 1 435.2665 *435.2731* 435.2731@1.1961826 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 4075 1 1 1 1 1 1 1 1 1 1 1 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 1 435.2731 *435.9823* 435.9823@1.2100271 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.9823 *436.1481* 436.1481@1.6415496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16976 16475 1 1 1 1 1 1 1 1 1 1 436.1481 *436.1523* 436.1523@2.056 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3576 1 1 1 1 1 1 1 1 1 1 436.1523 *436.3258* 436.3258@1.974116 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 3097 3350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2046 2063 1 1 1 1 1 1 1018 1216 1 1 1 1 1 1 1333 1 6198 6021 1 1 1 1 1 1015 1 1230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.3258 *437.2836* 437.2836@1.2000213 1 1 1 1 1 1 1 1 1 1 1271 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 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 1405 1 1 1 1 1 1 1 1 437.2836 *438.1715* 438.1715@0.95615935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1842 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 1 438.1715 *438.1803* 438.1803@1.3913131 1 1 2593 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 1 1 1 1 1 1 1 1 1 1 438.1803 *438.2344* 438.2344@1.0643483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1958 1 2503 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1650 1 1 1 1 1 1424 1090 1 1 1 1 1 1 1 1328 1643 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 2990 1277 1 1 1 1 1 1 438.2344 *438.296* 438.296@1.1975652 1 1 1 1 1 1 1 1 1 1 2899 3014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.296 *438.3285* 438.3285@1.0713362 1 1 1 1 1 1 1514 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 1684 1190 1 1 1 1 1592 1275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.3285 *439.1545* 439.1545@1.0043485 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 439.1545 *439.1789* 439.1789@1.0368491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2956 2666 1 1 1173 1472 1 1 1 1 1894 1880 1 1 1 1 1 1 1 1 1 1 1123 1555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 439.1789 *440.0983* 440.0983@2.046816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 3588 1 1 1 1 1 1 1 1 440.0983 *440.1655* 440.1655@1.1260705 1 2422 2057 1827 1763 1980 2049 1928 1586 1538 1309 1487 1 2043 1708 1633 2352 1 1391 1639 1441 1683 1 1 1987 2061 1622 1821 1 1 1 1 1 1 1 1 1 1 1218 1212 1 1 1 1 1 1047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1627 1731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.1655 *440.2301* 440.2301@1.0631773 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 2395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.2301 *440.2305* 440.2305@1.0644488 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.2305 *440.2335* 440.2335@1.0602783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1194 1 1 1 1 1 1 440.2335 *440.3129* 440.3129@1.0170392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 440.3129 *440.3222* 440.3222@1.0139234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2624 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 1 440.3222 *440.3492* 440.3492@1.0675856 1 1 1 1 1 1 2455 2607 1 1 1 1553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2216 2002 1 1 1 1 1 1053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1275 1 1 1 1 1 1490 1963 1 1 1 1 1903 1778 1 1 1957 1536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.3492 *441.1355* 441.1355@1.6160674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4149 3546 1 1 1 1 1 1 1 1 1 1 441.1355 *442.0821* 442.0821@3.0121365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3108 2932 1 1 1 1 1 1 1 1 1 1 442.0821 *442.1007* 442.1007@2.0316918 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.1007 *442.2226* 442.2226@1.0863501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1243 1 1 1479 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 1 442.2226 *442.2576* 442.2576@0.93601376 1 1 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 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 1738 1714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.2576 *442.2984* 442.2984@1.041738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1108 1 1 1 1779 1 4565 1 1 1 1 1 3116 2937 4409 4757 1 1 1 1 1 2886 1 1 6606 6923 1 1 1 1 1 1 4858 1 1 1 8511 7722 1 1 1 1 1 1 3155 1 1 1044 1 1 1 1341 1 1 1 1 1 1 1 1 1 1 2051 2388 1 1 1 8991 1 1 2350 1886 1 1 442.2984 *442.3057* 442.3057@1.0386734 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5480 1 1 1 1 1 1 1 1 1 1 1 3663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6392 1 1 1 1 1 1 1 1 442.3057 *443.0467* C13 H20 Cl3 N7 O2 S 1 1631 1292 1601 1 1405 1445 1527 1536 1559 1302 1 1 1 1192 1426 1278 1515 1 1240 1 1582 1 1580 1796 1685 1 1 1 1141 1 1165 1634 1470 1199 1 1383 1566 1121 1 1 1 1 1 1 1 1 1 1 1 1531 1 1265 1 1723 1648 1489 1 1 1 1987 1701 1 1 1 1 1585 1561 1 1465 2082 1 1738 1 1737 1 1826 1549 1748 1666 1 1546 1730 1620 1859 1947 1 1 1676 1328 443.0467 *443.0931* 443.0931@2.331085 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 1429 1388 1 1 1 1 1 1 1321 1 1 1177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1456 1 2140 1442 1158 1135 1180 1597 1457 1 1 1546 1808 443.0931 *443.0939* 443.0939@2.4967444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1556 2040 1 1 1 1 1 1 1 1 1 1 1 1 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 2341 443.0939 *443.9445* C13 H6 Cl2 N6 O6 S 2928 2648 2378 2686 2669 2722 2858 2802 2498 2279 2691 2444 2677 2737 2457 2749 2988 2638 1532 1663 1854 2241 1906 2116 2478 1945 2309 2281 1835 1512 2511 2672 2906 2967 2868 2695 2751 2852 2697 2535 2336 2409 2620 2437 2729 2807 2423 2503 2312 2576 3091 3048 3013 3163 2618 2669 2809 3257 2595 2687 2710 2688 2099 2364 3591 3813 2864 2853 2226 2182 1624 1830 2815 2331 2102 1819 2030 1862 1 1 2609 2756 2234 1773 2128 2369 2222 2153 2867 2536 443.9445 *444.079* 444.079@2.1730468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1570 1 1 1 1 1 1884 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.079 *444.0812* 444.0812@1.6400048 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.0812 *444.0896* C23 H24 O3 S3 1 1 1 1 1 1 2735 2030 1 1 1257 1 1 1 1 1 1250 1 1 1 1 1598 1125 1421 1185 1527 1631 1623 1 1 1366 1475 1 1 1 1326 1 1 1255 1347 1794 1625 1 1 1 1 1335 1341 1608 1406 3011 2835 1635 1472 1513 1676 1 1 1617 1876 3200 2909 1 1 2157 2201 1814 2207 1 1410 3866 2878 1464 1872 1440 1 3172 2647 6011 5692 3780 3126 2477 3239 2786 3938 2569 3170 4141 4417 444.0896 *444.0896* C31 H12 N2 O2 1 1 1 1 1 1 2814 2932 1 1 1 1615 2167 2391 1 1 2139 2214 3033 2661 2660 2627 3427 3450 1523 1 2903 3485 2817 3086 1 1 1 1 1 1 1 1 1 1070 2602 2497 1 1 1 1 1 1 2699 2358 4598 4976 2440 2402 2574 2884 1 1336 2568 3123 2991 2833 1 1 2313 2121 3352 2924 2341 2342 1 1 1626 1631 1 1 2634 2851 4136 4074 3189 3333 3952 3803 1 1 4241 3922 6170 5208 444.0896 *444.2638* 444.2638@1.6626192 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.2638 *444.2783* 444.2783@1.0339732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 444.2783 *445.1812* 445.1812@0.7101059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4209 1 1 1 1 1 1 1 1 445.1812 *445.2078* 445.2078@0.7527951 1434 1 1 1419 1 1434 1 1 1 1 1 1 2128 2762 2495 1892 1979 1481 1790 2489 4490 4497 3291 3358 1391 1376 1 1 10037 8780 1060 1 1 1 1348 1292 1 1 1 1257 2137 3329 2426 2726 2590 2686 1 1121 2883 2656 1 1 2766 1700 1 1 1 1 1 1 3852 3303 2484 2632 1 1 1 1 1 1 1 1 1 1 1 1 1105 1 1 1 1 1 1157 1 1 1 1 1 1 1 445.2078 *446.0209* C25 H7 Cl N4 O3 3673 3277 3461 3623 3807 3477 5425 3250 5270 5796 3163 1 1 3755 3821 4237 4389 4762 3409 3505 4177 4019 4368 4764 3163 3574 3046 2764 3578 3830 3524 3506 3280 3229 5876 3809 3701 3604 3488 3821 6521 4468 3516 3403 2426 2794 5894 1 5175 6032 6697 7166 6257 7413 7682 7895 6186 6206 6977 7508 3656 6993 8602 5401 6596 4518 5228 5713 6372 4484 6877 5332 8332 5047 4971 8400 5384 5888 7185 4391 7816 5432 7875 3942 4204 3224 4796 5957 8556 4981 446.0209 *446.0211* 446.0211@1.4884151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 446.0211 *446.0738* 446.0738@0.67248696 1 1 1 1 1 1 1 1 1 1 2056 1 1 1 1 1 1 2523 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.0738 *446.0859* 446.0859@2.3690374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3996 3783 1 1 1 1 1 1 1 1 1 1 446.0859 *446.0862* 446.0862@2.8407636 1489 1537 1 1160 1 1 1 1 1376 1 1 1 1 1 1534 1302 1374 1689 1605 1245 1259 1391 1637 1769 1 1 1329 1 1 1 1 1077 1271 1423 1 1 1 1 1 1321 1672 1663 1 1 1 1 1 1 1540 1757 1 1 1 1 1 1 1 1 1482 1274 1 1 1435 1612 1 1 1 1 1296 1 1 1 1 1399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1117 446.0862 *446.135* C19 H30 N2 O4 S3 1539 1445 1 1261 1438 1290 1448 1451 1437 1543 1574 1788 1628 1567 1795 1 1477 1602 1680 1 1903 1479 1079 1633 1226 1814 1702 1240 1352 1721 1250 1407 1 1392 1 1 1 1 1 1 1432 1337 1 1 1372 1265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1017 1219 1482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 1081 1 1 1110 1175 1 1 1 1 1419 1 446.135 *446.2269* 446.2269@0.7368331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.2269 *446.23* 446.23@1.6390524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8703 9297 1 1 1 1 1 1 1 1 1 1 446.23 *446.2303* clavulone III 2589 2789 2354 2327 2399 2289 3801 3973 2774 2318 2089 2151 4784 2868 2422 3256 4120 4577 3275 3382 3558 4232 3849 3829 3346 4929 2754 2937 4398 4449 3217 2875 2188 2524 3594 3325 3304 3965 2757 2850 4464 4485 2760 2556 2997 3295 3753 3296 4650 2275 2599 2793 1873 1895 2075 1960 1 1487 2368 3072 2306 3050 2358 2056 2070 1971 2177 1836 1634 1616 1717 1772 1823 2081 1912 2171 4384 5145 1819 2409 2419 1904 2213 2240 1600 1 1466 1747 1999 1989 446.2303 *446.2314* 446.2314@0.95926476 1 1 1 1 1 1 1 1 1 1 1 1 1 1360 1930 2276 1 1 1 1 1 1000 1 1 1 1 1 1 1609 1498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1232 1 1 1 1 1382 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 1 446.2314 *446.2327* 446.2327@1.3229258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2980 1 1 1 2114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.2327 *446.2341* clavulone I 3168 3116 2481 1695 3929 4233 4051 3999 4152 4046 3851 3706 6974 6883 4772 4763 1 1 3228 4401 2184 5154 5641 5001 4891 4787 3878 3251 4767 5463 4221 4556 4858 4608 5624 5142 2744 5183 2215 3930 4409 6717 3981 3349 4893 3759 3158 4115 5621 1 3148 2984 4575 4227 3306 1 2471 2640 1 1 1 1 3103 3412 3929 2887 1 3068 1 1 1 3093 3206 3321 4414 4463 2581 2896 2677 2588 1 2886 2862 3533 2191 2203 1208 2874 1 4466 446.2341 *446.2652* 446.2652@1.0299748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 446.2652 *446.2993* 446.2993@1.1984698 2248 1 1 1 1776 2332 2526 1 1576 2258 1 1 1198 1 1 1167 2488 2608 2679 1 2253 1533 1 1992 1 1 1 1 1 1 1524 2253 1 1 1 1772 2713 1 1 1 1 1 1 1462 1 1 2372 1 1 1 1731 1 2649 2991 1 1 1 1 1 1 1 1 1 1904 2332 1 1 1 1 1 1389 1 1 1 1 1 1 1 1 1473 1 2605 2171 1332 1 1 3515 1 1 3194 446.2993 *446.3007* 446.3007@1.1984606 1 1 2179 2455 1 1 1 2933 1 1 3969 3902 1 1 1232 1 1 1 1 2511 1 1 1 1 1483 1368 4354 4249 1 1 1 1 1611 1412 1 1 1 2235 1472 1382 2862 2848 1 1 1813 1763 1 2375 1605 1909 1 1 1 1 1 1381 1835 1766 3235 3462 4696 4627 2089 1 1 1665 1 1 1771 2148 1 1348 2209 2151 1453 1509 1800 2122 1 1 1864 1 1 1 2421 2832 1 3432 3423 1 446.3007 *446.331* 446.331@1.0612044 1 1 1 1 1 2881 1 1 1 1378 1614 1 1 1 1671 1 1 1 1 1 1234 1599 1 1 1 1 1 1 1 1 1158 1 1 1 1 1 1814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1998 1505 1249 1 1 1 1 1 1 1 1 1 1 4852 1902 1 1 1 1072 1 1 446.331 *446.3344* 446.3344@1.060345 1 1 1 1 2653 1 3268 3424 1 1 1 1706 1 1 1 1273 1 1 1 1 1 1 1 1 1 1 1 2115 1 1 1 1 1 1 1 1 1 1825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9012 1 1 1 1 1 2715 2701 2900 2778 1 1 4906 4773 1 1 1629 1 1 1 1 1 1 1 1361 1769 1 1 1 1 1 1 1 1 1 1 1 1 446.3344 *447.2965* 447.2965@1.1920562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 447.2965 *447.3113* 447.3113@1.1973665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3395 2978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 447.3113 *447.983* 447.983@1.3948572 1 1 1 1 1 1 1 1 1 1 1 2690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2383 1568 1 1 447.983 *447.9852* C13 H13 Cl N6 O4 S3 1 1515 1 2282 2404 2812 3775 4146 2999 2715 4203 1285 2996 2933 3269 3112 3075 3239 3326 3728 3598 3718 1621 2155 1984 1 2891 2757 1 1974 3091 3019 3513 3344 2729 2841 3156 3510 2469 2759 3634 3729 3178 2935 1820 1743 3586 3536 2294 4476 4494 4626 4845 4632 2801 3090 2205 2457 2678 2588 4612 3679 4768 4546 5284 5488 4754 4508 4415 4538 5380 5613 5456 4874 4763 4841 4836 5074 3982 3626 5137 4987 3783 5323 2372 4679 2977 3522 4125 4099 447.9852 *448.1336* 448.1336@1.969949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 448.1336 *448.1394* 448.1394@3.942751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2761 1 4512 3713 1 448.1394 *448.1395* C19 H28 O10 S 6749 6660 8635 7894 8923 9485 8537 9128 7739 8091 9236 9291 8899 8789 8477 8870 12163 12598 8111 9011 9018 9895 10036 10052 9228 10062 9280 10206 9941 10025 10487 10930 8890 8406 8341 8432 8815 9050 6546 6552 12723 13313 9311 9645 9166 8720 8933 8503 8990 8736 11905 11149 12103 11546 11093 10848 8072 8487 10728 10845 19903 18880 14300 14869 15810 16082 13210 13861 11329 11388 4921 7276 6896 7524 7819 7295 8544 9131 6675 10196 9247 9902 9871 9544 8107 4239 10736 6289 4397 8324 448.1395 *448.2223* 448.2223@1.1839342 1 1 1 1 1 1696 1 1 1 1 1 1 1164 1167 1055 1462 1851 2198 1135 1018 1 1 1 1 1 1 1 1 1 1 1632 1480 1 1093 1 1150 1500 2281 1 1 1229 1357 1 1 1391 1044 1533 1451 1 1 1471 1151 1276 2508 2948 3094 1740 1521 1434 1604 1 22384 1 1222 3820 3906 4776 4461 1 1 1 1 1354 1346 1 1 1 1 1 1 5808 1 1035 1349 1 1 1 1 1 11661 448.2223 *448.2332* 448.2332@1.1078004 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 1 1 1 1 1 2200 2306 1 1 1 1 1 1 448.2332 *448.3289* 448.3289@1.1180004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 448.3289 *448.3507* 448.3507@1.0552658 1 1 1 1 3278 2772 1796 4088 1030 1 1 1237 1 1 1 1 1 1 1 1 1296 1224 1 1 1 1 2092 3980 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 4739 1 1 1 1 3645 1796 4655 2007 1 1 5277 2877 1 1 1575 1696 1017 1 1 1 1 1 1 1 1 1 1 1 1 1361 1 1 1 1 1 1 448.3507 *448.995* 448.995@2.0551043 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 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 1 448.995 *449.0936* 449.0936@1.6175673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3404 3273 1 1 1 1 1 1 1 1 1 1 449.0936 *449.1227* 449.1227@1.6071048 1 1 7527 7751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449.1227 *449.1253* 449.1253@1.4055545 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449.1253 *449.1789* 449.1789@1.1231576 1 1 1 1 1 1010 1 1 1213 1120 1034 1 1546 1312 1 1829 1434 1499 1383 1625 1318 1 1 1113 1 1073 1 1 1 1 1 1 1181 1 1193 1 1 1 1 1 1412 1659 1 1 1 1 1119 1226 1223 1 1020 1031 1 1 1 1 1 1 1 1 1306 1406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1663 1396 1 1 1 1 1 1 1 1 1 1 449.1789 *449.9529* C17 H6 O13 S 18409 19215 16079 15517 17789 17838 16843 15926 14201 14693 14230 13943 16650 16206 14493 14958 10220 10452 8597 8085 10657 9883 12138 12508 13120 13576 12416 11857 8680 8385 12749 12732 20770 21758 24172 23940 16096 17074 14527 15107 11268 11758 16362 16569 12793 12351 14347 13502 13943 14890 25266 26776 21463 22043 17956 18308 20396 20189 15886 15254 12548 12266 11539 12295 20155 19968 14160 14010 8933 8673 8026 7597 16242 17020 13492 13719 10468 10645 1 1 17063 17614 12449 12627 14412 13777 10729 11068 13067 12653 449.9529 *449.9916* 449.9916@2.0615642 3570 2771 1 1 1 1 1 2288 1 1 1 2008 1 1 1 1 1 1 1 1 1 1 1 2581 1 1 1 1 1 1 1 2122 1 1 1 1 1 1 1 1 1 3498 1 1 1 2010 1 1 1 1 1 1 1 1 1 1 1 2259 1 1 1 1 2671 3787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449.9916 *449.9941* C27 H3 Cl N4 O2 1 1 2555 2686 1 1725 3474 1 2382 1 2270 1 2367 2264 1 2942 3876 4515 1984 2122 3022 3688 3107 1 2440 3032 2129 1382 2503 2536 2369 1 1 1 2999 2474 2918 2654 2102 1771 3037 1 1920 1618 2273 1 2808 2795 3147 3611 3071 3489 3228 2951 3224 1908 2363 1 3377 3958 2946 3110 1 1 3180 2581 2945 2488 1691 2177 1772 2224 3011 2531 3803 3214 1 2633 1 1448 2839 2741 2574 1 1631 2258 2619 2446 2716 2223 449.9941 *450.1367* 450.1367@0.93819827 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.1367 *450.1417* 450.1417@1.6255617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2343 2884 1 1 1 1 1 1 1 1 1 1 450.1417 *450.1786* C21 H23 Cl N10 59231 60446 32108 33643 83058 84461 54795 56580 85150 87852 65408 64618 51645 52969 115342 114564 105459 106083 98188 97283 85835 82011 63717 65350 68364 68490 45772 45309 65463 72480 62181 63675 117217 114995 71058 69998 51934 52143 62483 63395 101721 100881 49022 49332 34911 32954 47719 49086 79538 84818 98686 97221 64843 64737 88001 89143 53370 54351 99595 99769 74470 75028 47461 47224 69928 69907 41817 40064 53482 51401 75940 75186 48283 46763 33778 34410 52320 52075 45864 43610 45074 44510 78512 77084 34009 34547 44181 44570 45579 43641 450.1786 *450.1802* 450.1802@1.1252025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.1802 *450.1904* 450.1904@1.8806307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1813 1 1 1 1 1 2363 1 1825 1180 1 1 1 1 1 1 1 1 1 1 1 1078 1 1 1 1 1 1 1 1 1 1 1471 1 1507 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 2202 1 1 1 1 1 1 1 1 1 1 450.1904 *450.1915* C25 H30 N4 S2 3599 3690 1 2938 2565 1682 5895 5956 3001 3135 3325 3479 1 1985 1902 4393 7311 4443 4254 3967 1907 3294 2561 3560 1559 1832 2016 1 3498 1 1 2166 1 1 4085 3782 7684 6284 4673 5344 7925 10570 1471 2604 2980 2980 4533 5074 3565 1778 3377 3113 3243 4295 2842 3819 1 1 5986 6023 5351 5044 3669 4500 3191 3627 2195 2607 1 1 4064 3668 3014 2747 1 1 1 2080 6763 4995 4818 4687 2975 3359 2829 2050 1 1 4086 2867 450.1915 *450.2049* 450.2049@1.1868731 1 1 1 1 1 1068 1 1 1 1 1 1 1 1 1 1 2511 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.2049 *450.2458* 450.2458@1.1988332 1 1 1 1 1 1 1168 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.2458 *450.3485* 450.3485@1.0667319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 450.3485 *450.3577* 450.3577@1.0640167 1 1 1 1 1 2128 1889 1 1 1 1 1396 1 1 1189 1662 1 1 1 1 1375 1397 1 1 1 1 1 1 1 1086 1162 1292 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 1892 1750 1 1 1 1 1 1 1 1 1 1 1 1 1278 1 1 1 1 1 1 1 450.3577 *451.9218* 451.9218@0.80422777 1 1 4368 4370 1 1 1 1 1 1 3129 4173 1426 1452 1 1 1 1 1 1 1820 1570 1 1 1463 1485 1 1 5546 5246 1 1 1 1 1 1 3780 3730 1 1 1 1 12422 13159 1767 1887 2763 2979 1 1 1 1 1 1 3134 2146 3418 2548 1 1 1 1 3057 2934 1 1 1 1 1777 1646 10231 10610 1 1 1 1 1 1 3788 3134 1335 1542 1 1 2258 2306 1 1 1 1 451.9218 *452.1494* 452.1494@2.0624962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 452.1494 *452.191* 452.191@0.94700944 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 1 1 1 452.191 *453.0122* 453.0122@1.1257493 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 1 1 1 1 1 1 453.0122 *453.0836* 453.0836@0.82052433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 453.0836 *453.1812* 453.1812@1.0848787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 2108 3032 2855 1 1 1 1 1 1 1 1 1 2855 1 1 1 1 1 1 1 1 1 1 453.1812 *453.2476* 453.2476@1.0229778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 453.2476 *453.9276* C13 H8 Cl2 N2 O10 S 1 1 5967 3158 1 3324 1 1 1 2743 1 3522 1 1 1 6593 1 4933 3887 1 4431 8923 4028 1 1 1 6041 2103 1 1 3981 1 4607 11322 5512 2636 1 10534 10956 10063 11183 1 11374 1 1 4238 1 1 1 3477 2918 1 4005 1 1 6424 4942 2407 1 2938 1 3204 1 1 3973 6730 3427 1 10103 4525 3884 3080 4233 1 1 1 1 12572 5169 1 3788 1 4545 6132 5552 2361 1 4707 3413 1 453.9276 *453.9281* C13 H8 Cl2 N2 O10 S - 5.7897925 10197 1 5137 4005 1 5039 8558 3622 9995 5689 2283 4651 1 9342 7633 4596 3709 6216 5602 4802 1 1 6420 1 10104 9276 5045 6721 4451 12142 4996 10643 1 1 5976 4091 5055 1 1 1 1 8788 1 9050 1 6802 7604 5039 9846 3990 6315 3308 5378 9867 5428 5669 4998 3318 8863 5046 5127 6579 4874 1 5326 4728 6440 10339 1 6332 4869 7208 5523 4694 4583 1 10950 1 4609 1 5246 1 6763 6581 1 4267 2960 4205 4400 9319 453.9281 *453.9288* C15 H2 O17 82424 80944 80700 80375 79288 79855 83137 81080 83679 82298 82642 82501 80227 82108 79778 83329 86599 91963 82537 80241 80279 82159 82935 84496 80911 77763 83661 80119 77652 81653 83787 83822 87195 84045 84563 83073 82513 84834 91195 91804 86758 84608 85388 82053 79879 82453 82952 79914 83410 84523 117052 117770 104914 105772 98796 100587 90955 95463 89564 88505 118096 117551 89177 85929 108302 110743 105488 107301 89436 89189 136073 139104 82885 84006 96985 99507 122008 125534 129888 131735 128749 132359 124244 129770 136505 132438 121902 125479 103692 103475 453.9288 *454.1395* 454.1395@1.1872418 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1070 1236 1 1 1 1 1 1 2259 1237 454.1395 *454.2023* 454.2023@1.0842847 1 1 1 1 1618 1291 1627 1700 1462 1 1 1372 1 1 2225 2148 3424 3867 1292 1745 1937 1808 1199 1261 1 1 1 1 1 1195 1 1 1 1 1 1 1 1 1 1051 2005 1734 1 1 1 1 1 1 1 1 1515 1673 1 1 1 1 1 1 1 1 1578 1497 1 1 1 1 1 1 1112 1 1074 1 1 1 1 1 1 1 1 1 1 1 1564 1 1 1 1 1 1 1 454.2023 *454.2103* 454.2103@1.0931747 1 1 1689 2288 1 1 1 1 1 1 1857 1 2261 3739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 454.2103 *455.0234* 455.0234@1.1037749 1 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 1019 1253 1677 3609 1 1105 1 1 1 1 1 1 1 1 1 1 1 1099 1381 1395 1 1 1891 3859 1191 1 1592 1223 1 1 2301 2368 1 1 1 1 1 1 1 1 1 1 1 1 1130 1279 1 1 3343 1335 1 1 1110 1 1282 1 1153 1 1 1 455.0234 *455.0946* 455.0946@2.0571904 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 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 4977 4801 1717 1 1364 1 1 1 1 1 1540 1612 455.0946 *455.2628* 455.2628@1.0111483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 455.2628 *456.0952* 456.0952@2.0592988 1 1 1 1 1 1 1583 1606 1 1 1 1 1 1 1 1 2121 1 3075 3377 1 1 1 1 1 1 1557 1 1 1 2733 2275 1 1 1 1 1 1 1 1 1868 1485 1 1 1 1 1 1 1 1 1 1628 1983 2331 1 1 1723 1674 1782 1 2150 1 2280 2209 2415 2575 3438 3085 2128 1689 1836 2491 1 1 1 1 2382 2412 21751 20892 3122 3086 2463 3014 2147 2386 2158 2426 3555 3916 456.0952 *456.0998* 456.0998@2.0593555 1 1795 1916 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 1346 1 1 1 1 1 1 1 1 1 1 1 1 1944 1 1 1 1 1 1 1 1 1 1 2422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.0998 *456.1262* C32 H21 Cl O 2323 2227 2045 1 1 1 1884 2024 2299 1 1 3578 1487 1 1 1696 5116 2819 1972 1 1 4846 1768 2408 1 1 2250 2612 1731 1 1 1 1735 1535 2036 3819 1 1663 2023 3772 2970 2870 1687 1338 1 1 1 1 2928 4860 1551 1506 2820 1908 4236 3913 3977 4107 3067 4270 1022 1 2028 2210 1251 1104 4704 4508 3696 4100 1 1 2872 3062 1821 2990 1 1 1 1 1 1 1 1 1 1 1507 1166 6179 6505 456.1262 *456.3215* (22R)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dihomo-20-epivitamin D3 / (22R)-1alpha,22,2 1 1 1 1 3139 3362 4942 4965 6868 6628 2252 2126 1 1 1 1 7933 7772 2022 2030 18881 18675 7276 9638 1 1 1 1 1 1 7772 7705 1 1 1908 2359 5528 5891 6456 6818 36073 35427 1 1 1 1 1167 1399 1 1 15971 15127 23710 23846 6512 7168 1 1220 1 1 1 1 1355 1594 9538 11055 8277 7879 23814 22804 3845 3665 3311 3393 1285 1 1 1 29264 29072 34338 37084 134308 142837 1 1 9221 9013 8937 9315 456.3215 *457.0071* 457.0071@0.7661171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 457.0071 *457.0213* 457.0213@1.1034119 1 1 1 1 1 1 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 1377 1687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1427 1189 1 1033 2372 1 1 1 1414 1 1 1 3002 2159 1 1 1 1 1 1 1 1 1 1 1 1 1 1134 1 1081 1 1504 1 1 1043 1 1 1 1071 1 1 1 457.0213 *457.108* C21 H15 N9 O2 S 2477 2533 1945 1850 1 1 1212 1097 2187 2283 1501 1343 2298 3973 3260 3382 3092 3123 2309 2200 1828 2022 2419 2558 2323 2107 2588 2321 1840 2097 1941 1541 1 1 1224 1 2036 2072 1751 1688 1370 1595 1 1 1 1860 1504 1 2704 2833 3254 3336 2786 2613 3493 3614 1583 1503 2435 2358 3391 3384 1510 1449 2579 2585 2756 2739 2230 2153 3966 3893 1 1 4850 1 3421 3210 1 1 3844 4440 1967 1745 2081 1946 2735 2755 2295 2596 457.108 *457.2966* 457.2966@1.0654172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1863 1 1 1 1 1 1 1 1 1 457.2966 *458.1053* C17 H26 N6 O S4 6284 6486 4101 3461 1 1 2729 2505 5379 5604 3142 5821 5221 5443 8062 8592 7129 6920 4700 5114 4475 4511 1 6016 5041 5244 5475 5608 4618 4776 1 2695 1 1 2221 1 3613 3943 3180 1 1 1 1 1 3539 3507 3253 1 1 6670 1 8397 1 1 10159 9279 2994 3484 1 1 7691 8728 1 2873 5718 5676 5744 1 4496 4998 1 8092 1 1512 1 3007 6926 6971 1 1 9860 10160 3903 1 1 4412 6687 6080 1 5454 458.1053 *458.1305* 458.1305@2.8908856 1 1 1 1 1 1 1 1 1 1 1242 1 1 1 1 1 1 1 1 1 1912 1 1 1 1 1 1 1 1 1 2051 1611 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 1 458.1305 *458.1322* 458.1322@1.646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2168 1 1 1 1 1 1 1 1 1 1 458.1322 *458.2157* 458.2157@1.279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 458.2157 *458.2336* 458.2336@1.0750009 1 1 1 1 3088 3269 1947 1598 2014 1776 3134 3041 1 1224 3560 3513 3725 3421 2355 1453 2831 2861 1 1 1 1 1 1 1257 1 1 1 1356 1855 2150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2010 2200 1 1 1 1304 1 1 1835 1 1 1006 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 1 458.2336 *458.2424* 458.2424@1.1868398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 458.2424 *458.2786* 458.2786@1.0660491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 458.2786 *458.2958* 458.2958@1.1132885 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 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 1 1 1 1 1 1 1 1 1 1 1 1 458.2958 *458.2996* 458.2996@1.0863967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2665 1927 1 1 1 1 2676 1106 1766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2252 2206 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 3779 4109 1 1 1 1 1 1 458.2996 *458.3004* 458.3004@0.72275496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 4208 4618 1 1 1 1 1 1 458.3004 *460.0611* 460.0611@1.4976305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 460.0611 *460.1545* C28 H20 N4 O3 1237 1685 1289 1245 1274 1440 1591 1856 1393 1549 1 1 1942 2095 1948 1754 1613 1838 1253 1361 1850 1965 1368 1534 1317 1575 1594 1658 1856 1720 1 1 1161 1 1 1200 1516 1496 1756 2029 1634 1673 1 1 1677 1614 1 1309 1 1 1634 1098 1 1395 1232 1276 1 1 1268 1 1733 1425 1386 1660 1133 1073 1 1 1 1 1 1 1 1 1081 1 1 1 1394 1423 1153 1 1258 1353 1 1 1101 1 1285 1366 460.1545 *460.2077* Gln Trp Gln 58899 60546 51744 53120 72488 72284 63153 63510 79000 77214 63510 61465 53728 54951 101354 101021 93177 94416 87528 84440 89444 89914 62931 64233 89320 88455 69026 70352 86580 89782 91140 91579 120345 120744 67456 67680 60445 60890 61083 61003 128556 130134 55628 54033 53977 54045 69621 70748 93191 94539 116200 115461 86355 86203 105169 106700 75181 76145 109039 107693 93998 95832 85917 81951 99735 96367 73049 74014 78272 79932 86317 85474 57797 59209 49463 49994 79769 78445 88953 87119 64268 65650 99455 102669 54122 53694 66742 67612 58758 58623 460.2077 *460.2078* 460.2078@1.1272403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.2078 *460.2313* 460.2313@1.1928266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.2313 *460.2443* 460.2443@1.9699275 1 1 1 1 1 1 1 1619 1 1 1 1 1 1 1 1 1 1 1378 1 1545 1548 1 1 1 1 1068 1 1745 1795 1 1 1 1 1 1360 1 1 1 1 1502 1608 1 1 1367 1 1357 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 1 1 1 1 1 460.2443 *460.2466* 460.2466@1.6375517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4312 1 1 1 1 1 1 1 1 1 1 460.2466 *460.2496* 460.2496@1.2960285 1 1 1 1 1 1 1 1 1 2062 1078 1 2800 2814 1 2193 1 1 1 1 1 1 1757 1 2207 1 1 1 1 1 1 1 1676 2526 1 1 1640 2096 1 1 2534 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 1495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.2496 *460.2532* 460.2532@1.3005792 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.2532 *460.2683* 460.2683@1.1962336 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.2683 *460.2759* 460.2759@1.1994256 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.2759 *460.3242* 460.3242@1.0481381 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.3242 *460.3268* 460.3268@1.0160453 1 1 1 1 1 1 1 1 1 1571 1 1415 1 2063 1 1 1 1 1 1 1586 1187 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 1 460.3268 *462.0519* 462.0519@2.0592055 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1756 1 1 1 1 1 1 1 1 1 1 2932 2252 1854 1 1 1 1 1766 1 1878 1543 1 1435 1 1422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2487 2429 1762 1511 1 1 1417 1915 1623 462.0519 *462.1922* 462.1922@0.93741477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462.1922 *462.2964* 462.2964@1.1063042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 462.2964 *462.2986* 462.2986@1.1026177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2911 1 2020 1 1 1 1 1 1740 462.2986 *462.3183* 462.3183@1.0821949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462.3183 *462.3306* 462.3306@1.0753675 1 1 1 1 1586 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 1480 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 1 462.3306 *463.1202* 463.1202@1.6171331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 463.1202 *464.2042* 464.2042@1.1892351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2178 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 1 1 1 1 464.2042 *464.207* Pro Tyr Trp 13913 13930 9314 10500 4332 9441 16641 21295 9360 4639 12413 12320 3830 8414 9920 6034 24391 7521 15777 3541 14796 11459 14611 7531 5205 9685 2031 6876 6715 1 6148 10967 8024 9289 4681 3532 23897 24843 18475 17516 6489 34510 9731 10040 4978 9474 7092 19996 13039 9830 11336 2573 16064 13449 4471 12274 5778 5493 20804 19917 17746 14981 14440 14903 12509 10401 8228 8317 7212 7785 13859 14511 8754 10415 10111 10871 7082 6581 22203 22577 16062 15860 9279 12115 10571 7555 4648 3172 10333 11586 464.207 *464.208* 464.208@1.9232134 1 1 1 1 5853 1 1 1 2488 6915 1 1 6905 1 5643 10533 1 10703 1 11530 1 1 1 9333 5809 1 5844 1 7043 1 1 1 1 1 7493 8566 1 1 1 1 18107 1 1 1 6438 1 12994 1 1 1 1 1 1 1 9998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1981 1772 1 1 1 1 2457 1 1 2781 1 1785 3205 1 464.208 *464.3288* 464.3288@1.0669591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 464.3288 *464.3472* 464.3472@1.0704855 1 1 1 1 5652 3198 2996 3525 1409 1442 2248 1871 1 1 1 1 1 1 1 1 1413 1733 1 1 1 1 1617 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 6179 2083 1 1 1 1 3381 3043 1545 1 1 1 7566 6241 1 1 2378 1668 1 1035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 464.3472 *464.3487* 464.3487@1.0679464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 464.3487 *465.2085* 465.2085@1.9309007 1 1 1 1 1 1 4440 1 1 1 1 1 1 1 1 1 1 6593 1 1 1 2042 1 1 1 1 1 1 1 1 1 1 1 1 3533 3168 1 1 1 1 6811 1 1 1 1 1 1 1 1703 1 1 1 1 1916 1 1 1 1 1 1 1 3317 1 1 1 1756 1423 1399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2928 465.2085 *465.2119* 465.2119@1.9188254 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 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 1 1 465.2119 *465.9877* 465.9877@2.3244503 1 1 1 1 1 1 2173 2853 1 1 1 1 1 1 1 1 2935 1 1 1 1 1 1 1 1988 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 2686 1 1 2700 3140 1 1 1 1 1 1 1 1 1 1 1 1952 1 1 1 1 1 1 1 1 1 1 1736 1 1 1 1 3236 1 1 1 1 1 1 465.9877 *466.1145* 466.1145@1.1209849 1 1448 18030 17489 1 1 8175 8527 1 1 1 1 10400 11214 7240 1 9139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10902 10917 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 1 466.1145 *466.1222* 466.1222@1.1205068 3784 1 1 1 1828 5432 1 1 2119 5530 5170 4865 1 1 1 7438 1 9839 5496 1 1 1 4787 4492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2219 1 1 1 4856 5979 1357 1782 1155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6147 4819 1 1 1 1 1 1 1 1 1 4198 1 3751 1 1 1 1 1 1 1 1 1 1 466.1222 *466.1381* 466.1381@1.1185763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1567 1371 1 1 1 1 1 1 1933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.1381 *466.1483* 466.1483@1.1186111 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 466.1483 *466.1543* 466.1543@1.114563 1 1 1 1 1 1 1 1 1 1 1 1 1510 1018 1 1 1 1 1 1313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2841 1 1 1 1 5796 1 1 1140 1 1 1 1 1 1 1 1137 1 1 1 1 1 1 1 1228 1 1 1 1 4122 1 1504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1828 1 466.1543 *466.1616* 466.1616@1.0958984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5140 1 1 5465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.1616 *466.1669* 466.1669@2.02355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1079 1 1 1 1 1 1 1 1 1 466.1669 *466.1703* Met Met Trp 2042 2608 1 1 3541 1 1184 1670 3865 3547 1 3731 1 1 5182 3732 1117 3394 4584 1 4442 2554 1 1770 1 4577 1 1 2091 3752 3207 2219 6926 8192 2681 1675 1 1 3007 3083 4310 1 1 1 1 1 1306 1 1 3666 4073 5716 1460 1 3310 5024 2955 1242 4016 3687 2390 1698 1170 1 4076 1 1 1 1560 1 4048 3677 1 1 1 1 1911 1037 1393 1 1 1081 3453 2486 1 1982 1589 1 1 1125 466.1703 *466.1771* 466.1771@1.0891347 1 1 1 1 1 3931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 466.1771 *466.2075* 466.2075@1.9502697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.2075 *466.2321* 466.2321@1.1922272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 466.2321 *466.2729* 466.2729@1.1463524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 466.2729 *466.2815* C22 H43 Cl N2 O6 1373 1166 1 1391 1640 3244 4037 3727 1 1320 1755 1815 1001 1 1187 1065 1652 1880 3134 2018 1299 2381 1 1 1 1 2523 1239 1 1 1390 1 1 1053 1 1 1 1 1 1 1481 1505 1 1 1387 1 1087 1031 1 1 1 1 1794 1665 1 1 1 1 2155 4221 2742 4414 1180 1100 1279 3193 1 1 1032 1 1049 1 1595 2892 1 1 1499 2149 1124 1 1 1 1028 1 1 1332 2866 1806 3055 2549 466.2815 *466.3073* 466.3073@0.81753063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2444 1638 1 1 1 1 1 1 466.3073 *466.3402* 466.3402@1.0092512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4109 1 1 1 1 1 1 1 1 1 1 4712 5259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.3402 *466.3498* 466.3498@1.0689471 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 1269 1153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3696 1 1 1 1 1 1 1 2169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2279 2450 1 1 1 1278 1 1 466.3498 *466.3594* 466.3594@1.0701066 1 1 1 1 1 3025 4839 4735 2089 1737 2723 2361 1 1 1 1 1 1 1 1 1807 1679 1 1 1 1 3015 2477 1 1 1 1 1615 1557 1 1 1 1 1 1 1 1 1 1 1 1 1070 1 1 1 1 1 1 1 1 1 1 1 3742 4101 2092 1 1 1 1 1 1 1 3504 2851 1411 1369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.3594 *466.9861* 466.9861@0.8857231 1 1 1 1 1 1 1830 1762 1 1 1 1 1872 2074 1 1 3307 3121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4757 4897 1 1 1 1 1 1 1 1 2549 2711 1 1 1 1 1 1 1 1 1 1 3794 4236 466.9861 *467.9433* C16 H4 O17 3002 3182 2803 3009 3233 2952 3215 2912 2883 2434 2453 2770 3019 2740 2664 2721 3144 3555 3151 2951 2679 3046 2958 3076 2878 2720 2884 3127 2649 2813 2635 3160 3110 2545 2784 2856 2871 2767 3245 2955 3118 2825 2832 2892 2950 2756 2827 2812 2910 3225 4414 4456 3676 3490 3581 3822 3395 3373 3145 3013 4668 4270 3343 2899 3742 4047 3746 3934 3148 3330 5259 5502 3197 2898 3277 3473 4614 4609 4843 4553 4799 5223 4356 4626 5117 5232 4665 4617 3696 3682 467.9433 *467.9712* 467.9712@0.8240978 1 1 1 1 1 1 1044 1044 1 1 1 1 3964 3976 1 1 3476 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2767 3710 1 1 1 1 1 1 1 1 1 1 1043 1077 467.9712 *468.1108* 468.1108@1.1171086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2821 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 1 468.1108 *468.1167* 468.1167@1.1197331 1 2431 1 1 2309 1 1 1 3077 1 1 1 1 1 1 1 1 1 1 2650 3150 2507 1 1 1 1 1130 1 1 1 1 1 1 1 1 1 1 1 1 1 2947 2209 1291 1222 1 1 1927 1847 1 1 1185 1271 1 1329 1412 1798 1 1 1 1 1 1962 1 1 1115 1054 1 1 1 1 1012 1 1065 1 1 1 2040 1 1 1 1 1 1030 1022 1 1 1185 1193 1 1 468.1167 *468.1287* 468.1287@1.1258397 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 468.1287 *468.1439* 468.1439@2.357539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2931 4243 1 1 1 1 1 1 1 1 1 1 468.1439 *468.1724* 468.1724@1.1188303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 468.1724 *468.2005* 468.2005@1.9606731 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 468.2005 *468.2736* 468.2736@1.1654847 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 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 1 468.2736 *468.2938* 468.2938@1.1903906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5476 4051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2328 2189 468.2938 *468.3701* 468.3701@1.0660982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 468.3701 *468.3776* C19 H49 Cl N10 O 1274 1494 1 1 3339 3326 4384 4116 2535 2267 2951 2308 1 1 1483 2261 1 1 1721 1422 2103 2648 1 1 1 1 4284 4310 1102 1105 1817 1445 1971 1789 1 1 1 1 1 1 1 1 1 1 1 1 1456 1423 1 1 1 1 3757 3893 1 1150 1 1 4561 4059 1 3267 1 1 5013 5797 1 1 5312 4723 1967 1929 1 1 1 1 1 1 1195 1 1 1 3014 2651 1 1 2181 2058 1 1 468.3776 *468.9131* C18 H3 N3 O7 S3 2133 2447 2046 1834 2237 2320 1795 1843 2577 2699 2287 2232 1563 1810 2017 1886 1314 1 2489 2094 2069 2020 2329 2047 2257 2286 1892 1 1681 2086 2189 2012 1863 2161 1 2172 2084 2048 2210 1913 1943 2060 2315 2019 2100 1839 2168 2376 1 2500 2186 2258 2320 2435 2372 2371 2602 2786 1 2553 2251 2422 2202 2240 2469 1 1513 1337 2023 1952 2290 2409 2701 2524 2547 2483 1771 1921 1 1 2376 2270 2571 2398 2310 2329 2394 2208 1637 1372 468.9131 *469.1895* 469.1895@1.1277952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 469.1895 *469.9007* 469.9007@5.568165 1 1215 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 1 469.9007 *469.9021* C20 H5 Cl3 N4 S2 1 1712 1799 1669 1705 1674 1644 1582 1593 1606 1611 1844 1584 1554 1712 1573 1 1876 1 1554 1629 1799 1634 1879 1095 1730 1 1787 1 1 1760 1721 1629 1481 1572 1677 1649 1592 1805 1736 1799 1926 1484 1433 1612 1515 1756 1754 1733 1697 2612 2338 2368 2267 2503 2254 1 1909 1944 2001 2329 2445 2927 2151 2229 2252 2194 3255 1937 2024 2899 3058 1863 1910 1854 2132 2607 2595 2725 2566 2652 2368 2463 2471 2698 2533 1 2696 1 2048 469.9021 *470.0926* 470.0926@2.327124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2588 1 1 1 1 1 1 1 1 1 1 1 470.0926 *470.2169* 470.2169@1.775454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2749 2625 1 1 1 1 1 1 1 1 1 1 470.2169 *470.2215* 470.2215@1.0893494 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 1 1 1 1 470.2215 *470.256* 470.256@0.9432208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 470.256 *471.0872* 471.0872@2.3904548 1 1 1 1 1 3341 7316 8169 2902 3734 1 3692 1 1 1 1 1 3967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2598 4041 1 1 2632 3067 1 1 1 1 1 1 2277 2242 1 1 1 1 1 1 2668 1933 1578 1 1 1 1 1 1 1 1 1704 1 1 2487 1966 1 1 1 4235 1842 1 3162 1 1 1 1 1 4480 1 1 1 1 1 3052 3853 471.0872 *471.0876* C17 H29 N O6 S4 1764 1898 1721 1508 1616 1 1983 1746 1851 1783 1859 1608 2788 2532 2153 1917 2197 2096 2575 2298 2477 2943 2290 2913 1720 1 2666 2435 1 1 1628 1738 1112 1 1358 1 1 1 1259 1099 2063 2285 1632 1 1348 1793 1 1 2656 2876 1685 1 1 1 1589 1654 1213 1 1486 1760 1 1 1 1 1 1 1 1 1 1332 1 1 1743 2339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1700 1969 471.0876 *471.088* C17 H21 N5 O7 S2 6100 5579 6569 6680 8072 4700 5134 4513 3525 2314 6511 2450 6443 6644 3052 4183 4505 4805 4090 3693 11456 12004 7137 7632 10468 9480 12079 12433 7524 8320 7004 7215 1 1 3599 2975 1 1 1447 2033 7785 7344 2480 5685 2743 1 4460 4103 7987 8146 13594 13159 5463 5045 6484 7178 4482 6743 3937 2718 10462 10829 1871 1 10752 9573 11572 12059 2787 3774 8649 8541 10098 6382 3786 6371 8138 10687 21417 23321 8846 12347 10136 14604 10001 9549 14004 13754 9823 8792 471.088 *471.1131* 471.1131@2.067 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 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 1 471.1131 *472.0845* C32 H12 N2 O3 4990 4446 3744 4047 3437 3691 4600 5320 4127 4598 4176 4585 6425 6760 4868 5193 5685 5485 6823 6308 6277 6262 7927 7305 3487 3257 6552 7022 4716 5054 4383 4506 2613 2513 3850 3901 2507 3196 3347 3392 4902 4453 3389 3517 4574 3421 2568 2549 7065 6889 3854 4090 2346 2261 4013 4683 3300 2804 4194 4715 1 1939 3781 3707 1743 1718 2592 2466 3033 3872 1 1 5134 5306 1884 1 1 1 1 1 1615 1802 2320 1830 1 1 1786 1718 5080 5221 472.0845 *472.0847* C17 H16 N10 O3 S2 13576 12592 14968 13341 13237 20189 15171 10831 9349 6728 12138 12518 12583 15652 4000 10586 12278 12866 10161 9887 11667 8028 5294 4988 20215 19311 6815 23540 18199 15366 15037 9171 7763 7405 7191 7880 5648 2862 9390 6405 7103 7037 11763 9156 7108 7011 6338 6887 6811 17700 34291 35025 13645 14235 16893 16722 12587 11202 7563 6973 20832 26252 3805 3538 28048 26728 24515 28902 6046 7459 21627 22247 26281 16062 10315 14406 28233 28435 57690 52624 29376 8723 11079 38728 23795 23368 33905 35210 25764 25872 472.0847 *472.0849* C17 H16 N10 O3 S2 - 2.4002635 1 1 1 1 6357 1 15198 14058 1 7890 1 1 1 1 5548 1 7423 7336 1 1 15708 20265 10653 11702 6587 5520 24856 8449 1 1 1 8795 1 1 5793 7175 1 4856 1 4014 11243 10179 1 3276 1 1 9023 8753 13042 1 1 1 1 1 3777 1 1 4899 6665 6960 6060 1 3105 4156 1 1 3798 1 5469 1 1 1 1 10874 2687 1 1 1 1 1 1 21510 26249 1 1 1 1 1 5140 5764 472.0849 *472.109* 472.109@2.0614972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6599 1 1 1 1 1 1 1 1 1 1 1 472.109 *472.2434* 3alpha-HYDROXY-3-DEOXYANGOLENSIC ACID METHYL ESTER 1 1 1 1 1 1 2324 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 3184 2618 1204 1429 1 1 1943 2330 1 1 2623 2950 2405 2234 2545 2605 2423 2424 1 1 1 1 2534 2623 2339 2085 2280 2460 3287 3686 2776 2481 2575 2863 1 1104 1 1 2279 1891 1274 1570 1 1 1400 1 1 1 1 1 1 1 1555 1381 1 1809 1 1 472.2434 *472.2505* 472.2505@1.0622746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2098 1 1 1 472.2505 *472.3043* 472.3043@1.0434947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1333 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 1635 1 1 1 1 1 1 1 1 472.3043 *472.307* 472.307@1.0734472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1455 1290 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 1123 1 1 1168 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 1048 1 1 1 1 1 1 1 1 1 1 472.307 *472.3154* 472.3154@1.0409297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1666 1943 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 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 1370 1 6835 6808 1 1 1 1 1 1 472.3154 *473.0866* 473.0866@2.406731 1 1 1 1 1 1 1 5276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2093 1 1 1 1 1 1 1 1 1 1 473.0866 *473.8498* 473.8498@0.7494139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6655 6126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 473.8498 *474.0782* C12 H20 Cl2 N8 O8 2118 1881 1405 1363 1 1 1 1 1741 2491 1177 1111 1 1472 2615 2259 2482 2603 1768 1507 1520 1743 1699 1666 1830 1696 1484 1385 1644 1134 1 1156 1 1 1 1 1358 1863 1427 1144 1423 1323 1 1 1325 1 1 1 1985 1921 2343 2220 2305 2023 2601 2329 1 1124 1916 1944 2503 1 1154 1354 1966 2166 1481 1605 1432 1511 2585 2395 1 1 1 1 3218 2132 1 1 2451 2489 1157 1095 1481 1 1795 2799 1646 1450 474.0782 *474.0831* 474.0831@2.0599594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.0831 *474.0966* 474.0966@2.069 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2354 1 1 1 1 1 1 1 1 1 1 474.0966 *474.1698* 474.1698@0.9378439 1 1 1 1 1 1 1 1176 1 1 1 1126 1281 1286 1 1369 1227 1247 1 1 1 1 1 1 1 1 1 1 1116 1186 1 1 1 1 1 1 1 1 1385 1475 1 1 1 1 1 1 1 1 1 1 1 1 1 1063 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 1 474.1698 *474.2881* C23 H38 N8 O S 5350 6183 17344 16852 15980 17176 16291 15678 9892 9980 17662 17110 13868 13679 15667 16045 25368 25923 16510 16003 21679 22213 1 11767 9755 9311 17945 16973 17825 19036 20641 19214 18820 19709 12309 13005 15108 15613 8642 9131 27561 25856 17095 17057 13676 13703 15000 14468 13474 13216 28340 27724 25335 26073 29618 30222 6027 5859 34663 32833 26713 26533 37124 37841 32249 32220 24129 24323 26457 28077 30459 29169 18974 18342 14243 13022 34122 33115 42874 43104 57940 58421 62236 63146 25583 26282 29099 29551 17760 18010 474.2881 *474.9992* 474.9992@0.80124784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3404 3667 1 1 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 1438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.9992 *475.0745* C19 H21 N7 S4 15395 14941 9783 10224 3180 3396 7435 7084 13805 13748 8441 8114 11367 11095 18070 18464 17995 17945 10492 10086 12169 12017 12760 12502 13320 12501 10568 9626 11047 10924 9169 8882 1 1 7960 8003 11245 11750 9520 9177 9669 10238 3165 3062 9999 9909 9120 9485 14754 14000 16318 16852 15898 14875 19206 19048 9462 8558 14085 14181 16960 17173 9091 8628 13858 14288 11974 11759 11318 11503 17736 16835 5993 6109 9532 8965 16143 15239 10952 10847 18711 18618 9051 8587 9780 9695 12980 13169 11726 11228 475.0745 *476.0716* C32 H13 Cl N2 O 57075 56209 35661 36504 12054 11704 28685 27845 50186 50390 31104 31424 43851 43771 69254 68752 66162 67167 38089 36413 45417 43998 47479 47277 48900 47837 40475 36718 40761 38590 33715 32163 2813 3241 29848 29074 42585 42772 33257 34240 37985 37702 12005 10897 35757 39063 34211 35528 52466 54349 61124 62579 58404 57120 73702 72700 34574 32742 52707 54333 63739 64511 32838 32985 51685 51271 46024 43808 41834 42063 65360 64352 22290 21929 34367 35349 58134 57298 41782 40765 71076 70416 32330 32504 35236 35735 49132 49677 42753 43522 476.0716 *476.2027* C22 H32 N6 O2 S2 6480 6514 6600 4638 6228 5798 5042 5270 7357 7863 6444 6259 5540 5546 7205 7768 9063 8872 7368 7530 7145 7051 6505 5059 6981 7003 7001 6830 7152 6700 8491 8734 11460 11395 5597 5715 5154 5491 5392 6072 11765 10917 5212 5054 7269 7040 7288 6889 7420 7933 9417 8971 7636 7555 10032 9865 8091 8291 9401 9093 9713 10324 9024 8122 10630 11067 7604 9341 7155 5420 7266 6742 5655 5696 5292 5441 7604 7778 8561 7867 7087 8010 7169 8539 4304 5282 5352 6007 6181 5059 476.2027 *476.2541* 476.2541@0.817031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1575 1 1 1 1 1 1 476.2541 *476.3082* 476.3082@1.1452804 1 1 1 1 1 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 1990 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 1 476.3082 *478.2224* 478.2224@1.928701 1 9171 4024 1 1 1 1 1 1 1 1 1 1 1 1 9438 1 1 10148 1 3004 1 1 1 5265 4964 1 1 1 1 1 1 1 4062 1 1 1 1 1 1 1 1 1 2138 6764 1 1 9500 1 7255 1 1 1 1 1 1 1 1 1 1 1 5040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2700 1 1 1 10783 1 8742 1 1 1 1 1 1 478.2224 *478.2225* 2-Methoxy-estradiol-17beta 3-glucuronide 12027 4270 5757 9016 8603 8719 20831 20241 10653 10794 11306 11331 1 4824 14219 5451 22244 21157 3711 12077 10371 13648 6489 15033 4440 4350 2782 6715 12077 12327 8838 9889 8613 4722 11013 13937 20367 4220 12997 12071 7064 29904 7217 6862 3685 8176 19150 4571 12268 2214 2361 1 15241 14959 10829 13148 5113 5722 18381 19226 17073 11766 13941 13343 12077 11659 8893 9185 6450 5673 13521 13479 9991 9909 9416 10226 8032 5675 21463 21874 15313 3116 10855 2821 9461 10326 4862 1 12501 3565 C11131 478.2225 *478.307* 478.307@7.74107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4052 3999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.307 *478.3261* 478.3261@1.1917577 1 1 1 1 1038 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 1076 1026 1858 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 1 478.3261 *479.0736* 479.0736@2.1886578 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 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 1 479.0736 *479.2245* 479.2245@1.9303762 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 3220 1 1 4600 2334 2952 6290 1930 3837 1 1 1 1 3989 2295 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 2981 479.2245 *480.0674* 480.0674@2.3164227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2398 1 1 1 1 1 1 1 1 1871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2117 1 4957 2076 2952 2585 1 1 2150 1 1 1944 2837 2215 480.0674 *482.1689* 482.1689@1.1425639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3466 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 1171 1650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.1689 *482.2767* 482.2767@1.2002647 1 1 1081 1 3324 3220 2513 1640 1 1 1003 2059 1 1 1 1 5365 4702 1267 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 1220 2351 14179 13811 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 4879 5428 482.2767 *482.3286* 482.3286@1.0677632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1519 1 1 1 1 1 1 1 482.3286 *482.3722* 482.3722@1.0016538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3985 3158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.3722 *483.1046* C16 H27 Cl2 N7 O2 S2 1 1 1 1 1 1 1 1 1 1 1 1 1 1574 1385 1669 1 1 1 1442 1393 1537 1741 1764 1 1 1553 1 1711 2115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2196 2432 2848 2765 1 1 2976 2930 1 1 1 1 1728 1727 1 1 1 1 1932 1 1 1 1 1 1 1 1 1 1641 1 2146 1 2905 3342 1604 1 1 1 1 2163 1759 1888 483.1046 *483.168* 483.168@1.0920327 1 1 1 1 1 1 1 1 1 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 1 1 1 483.168 *484.0149* 484.0149@1.1076957 1 1 1 1 1 1 1 1 1 1 1 1 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 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1094 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 1707 5194 1 1 1 1 1 1 1 1 484.0149 *484.02* 484.02@0.84265655 1 1 1 1 1 1 9069 9729 1 1 1 1 9735 9630 1 1 23189 22280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33282 33231 1 1 1 1 1 1 1 1 15242 15137 1 1 1 1 1 1 1 1 1 1 27130 27080 484.02 *484.0962* 484.0962@2.0614917 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 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 1 484.0962 *484.1015* C18 H32 N2 O3 S5 1968 1917 1 1 1 1 1 1 1 1 1 1 2772 2764 3555 2461 3337 4003 2944 1 2780 2259 3554 2857 1676 1848 2853 2514 3526 3856 1 1 1 1 1 1 1 1 1 1127 1440 1390 1 1 1 1 1 1 3750 4232 4468 5243 2829 2685 5268 5474 1 1 2213 2377 2214 2462 1 1 1 1 2483 2596 1 1 1946 2266 1 1 1 1 2956 3370 4230 3704 5181 5691 1870 2398 1548 1 3382 3340 3174 2856 484.1015 *484.1759* 484.1759@0.93441546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5110 4386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 484.1759 *484.2338* 484.2338@1.7649225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 484.2338 *484.3696* 484.3696@1.0901173 1 1 1 1 1 1 1937 1814 1 1 1082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1680 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 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 1 484.3696 *485.8751* C12 H8 Cl2 N4 O5 S4 1 1 1 1 1 1 1166 1023 1 1 1 1 1003 1489 1 1 1 1 1 1 1046 1640 1 1453 1 1 1 1 1 1 1 1218 1 1 1 1 1 1 1 1 1034 1 1 1 1 1 1 1 1 1 1706 1017 1 1 1014 1590 1 1242 1 1 1844 1619 1296 1 1 1171 1 1340 1 1 1196 1456 1410 1465 1442 1804 1112 1701 1655 1 1875 1391 1649 1529 1 1759 1431 1377 1620 1498 485.8751 *486.0081* 486.0081@1.1075023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2489 1 1 1 1 1 1 1 1 1 486.0081 *486.1166* 486.1166@1.9298431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1444 1 1 1 1 1 1 1 1 1 1 486.1166 *486.1509* 486.1509@1.0804918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 486.1509 *486.192* 486.192@1.1938244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 486.192 *486.1997* 486.1997@1.9752337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.1997 *486.2054* Glucosylgalactosyl hydroxylysine 1193 1289 2808 3143 2318 2616 1 1 2451 2323 2789 2996 1965 1553 1117 1235 1 1 2954 2615 1 1 1452 1518 1918 1883 4703 4603 1031 1202 2612 2732 2312 2543 1411 1228 1328 1416 3138 3442 1 1 2039 1583 1828 1815 1 1 1 1 1 1 1 1 1 1 1654 1875 1 1 1 1 1 1 1 1 1 1 2324 4135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1789 2022 1240 1232 1 1 HMDB00585 486.2054 *486.2806* 486.2806@3.0244014 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4108 4453 1 1 1 1 1 1 2486 2755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.2806 *486.2863* C31 H38 N2 O3 1 1 1 1 2174 2116 2519 2574 3260 2793 1 1 1952 2028 1 1 3047 3049 2375 2214 1 1 1 1 1 1 1 1 1 1 4137 4611 3800 3273 1162 1079 2077 2243 3225 2959 3278 3760 1206 1240 1 1710 1832 1435 1183 1566 4579 4518 4622 4310 1448 2030 1 1 2524 2256 6693 7153 3141 3187 5741 6593 1 1045 2991 3197 2140 2444 1357 1460 1 1 2081 2007 1496 1780 1 1 5946 6154 1 1 2194 2679 1386 1465 486.2863 *487.1844* C25 H29 N O9 2025 2078 2186 2205 1882 1 3106 3144 1951 1728 1752 1798 3485 3913 2468 2620 1957 1771 4384 4616 3922 3760 2387 2355 3100 3380 4427 4480 2178 2281 1 1 1692 1813 1162 1 1 1 1 3011 1578 1990 2190 2326 2471 2493 1432 1515 2881 3240 1 1 1 1 1633 1426 2714 2890 3059 3217 1 2190 2147 2635 1980 1886 2819 2648 1 1 1 1 1893 2229 1 1 1 1 1824 2248 1 1 1 1 1358 1240 1843 1654 2909 3128 487.1844 *488.1344* 488.1344@1.6240144 1 1 1350 1 1 1 1 1 1 1 1 1 1 1 1 1 1213 1 1 1 1 1 1 1 1290 1 1 1 1 1096 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 1402 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 1632 1 488.1344 *488.1346* 488.1346@2.1687865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1117 1 1 1945 1 1 1 1 1 1 1 2280 2235 1 1 1 1 1 1 1127 1404 1 1 1429 1 1 1 1092 1 1 1 1 1 1 1 1 1307 1 1364 1 1 1312 1 1 1 2225 1 1 2059 2652 1 1 1 1 1 1 1 1 1 1 2162 1377 1313 1 2574 1 1689 1359 1 1 1 1 1 1 1 488.1346 *488.1701* 488.1701@1.9429758 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.1701 *488.2794* 488.2794@1.1993349 1 1 1 1 1 1 1043 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 1 1 1 1 1 1 1 1 1 1 488.2794 *488.3102* C20 H41 Cl N10 O2 12535 12307 12596 12671 14030 12847 14719 14054 14032 14205 13178 14285 14138 14306 14189 14383 17288 17575 15132 15817 14323 15360 15545 16628 16491 15681 17002 16295 14857 15442 16079 16225 14855 15746 16193 17119 17257 17814 16241 16813 15838 14940 16794 16675 15498 16172 18838 17993 16677 16903 15502 15726 17346 17261 18106 17119 18306 18970 18015 18145 18284 18600 18851 19430 19613 19500 19062 18647 18880 18539 17536 15272 18033 19025 18189 18556 15652 16447 31591 30699 17444 18082 18240 18377 17526 18134 19088 18704 19473 18503 488.3102 *488.3105* C25 H48 N2 O3 S2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1800 2596 1185 1 1745 1537 10802 10780 1 1 1 1 1 1983 9686 10558 2979 3205 1718 1512 2636 1 7238 6704 9179 12290 1837 1500 1363 1 1366 1367 1 1 6025 5287 1 6257 4788 4687 1 1 1 1 3862 3776 2634 1 8997 8660 7199 7214 10934 11753 1839 1 2963 1 1 1 1326 1 2911 2654 4756 1 11779 12041 1 1 4806 5047 5687 5015 488.3105 *490.1852* C26 H26 N4 O6 2412 2404 4692 4443 3872 3777 1 1109 3818 3653 3715 4277 4426 4813 2699 1957 1 1 4772 4481 1792 1457 3672 3609 3143 3372 7688 7028 2523 2748 3985 3898 4450 4651 2018 1787 2621 2238 5464 5651 1 1 3166 3888 3951 3311 1 1512 1 1 1 1 1 1 1 1 1576 1498 1 1 1 1 1 1 1 1 1 1 1451 1547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1349 1172 1031 1 1 1 490.1852 *490.2703* 490.2703@0.75917506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4514 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 2275 1 1 1 1 1 1 1 490.2703 *490.2781* 490.2781@0.76213837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1081 1 1 1 1 1 1 1 1 490.2781 *490.2793* 490.2793@0.8102613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 490.2793 *490.3271* 490.3271@1.0235088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9071 7601 1 1 1 1 1 1 490.3271 *490.3342* 490.3342@1.0561968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.3342 *490.3481* 490.3481@1.0890388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1677 1 1 1 1 1 1 490.3481 *490.3622* 490.3622@1.0742874 1 1 1 1 3038 4891 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 1430 1 1 1 1 2274 1819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.3622 *491.049* 491.049@0.82876605 1 1 1 1 1 1 1 1 1 1 1 1 1327 1250 1 1 1 2114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 491.049 *491.07* 491.07@2.064746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2297 1 1 1 1 1 1 1 1 1 1 491.07 *491.1163* C22 H24 Cl3 N7 1 1 1 1 1015 1266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2121 4970 2799 1324 7168 7095 1486 3378 6893 7488 5264 5805 1 1143 5715 5254 4245 4413 1443 1178 1 1 1 1 1901 1 7693 7589 2335 2000 6462 5687 1 1 8092 8807 5616 5816 1 1 2226 2109 1 1 5018 4785 8173 7355 1284 1041 1 1 1359 1157 1692 3349 1446 1404 9649 9895 1 1 1486 3735 1542 1485 491.1163 *492.0673* 492.0673@2.0604472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 8763 8500 1 1 1359 1 1 1 1 1 1 1678 492.0673 *492.1892* 492.1892@1.1835651 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 1326 1 1 1 1 2174 1291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 492.1892 *492.237* 492.237@1.9195329 1 1 3390 3308 1 2392 1 1 3719 1971 1 1 1 2943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3359 1 1 2833 1 1 1 1 1 1 1 1 2585 1 1 1 1 1 1 1 1 1 1500 1 1 1616 1 1 2212 1 1 1 1 1 1 3931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1381 1 1 1 1 1 1 492.237 *492.238* C28 H36 N4 S2 8068 6192 1201 1207 2445 1724 10336 10758 1344 3023 5914 5301 2067 1236 4278 7548 3736 11296 7184 5897 7154 5560 1 2898 4501 1602 1 2959 1 5714 1153 4127 5795 1076 7303 5690 10677 10227 6790 8216 11754 17560 1668 5419 4562 4164 9389 8815 8031 1 5350 5413 6202 7607 1 5297 1 1 8669 8301 8470 8541 6814 6766 6232 2103 1186 3293 3063 3110 7084 6380 5776 4662 3979 5244 1 1 11290 10963 1 7274 6058 4448 4740 4588 1667 2464 6169 1293 492.238 *492.3756* 492.3756@1.0686247 1 1 1 1 1509 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 1441 1907 1 1 1 1 1327 1165 1097 1 1 1 1962 1957 1 1 1909 1394 1 1 1 1 1 1 1 1 1 1 1 1 1 1085 1 1 1 1 1 1 492.3756 *493.1054* 493.1054@1.9273446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1782 1 1 1 1 1 1 1 1 1 1 493.1054 *493.1145* 493.1145@1.0866714 1 1 1 1 1074 1129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2031 1 1 1 1 1 1448 1 1 1 1 1 1385 1073 1 1 1 1 1488 1341 1 1 1 1 1946 1964 1 1 2056 1968 1 1 1 1 1 1 1 1 1 1 1956 2023 1 1 1 1 1 1 1220 1325 1 1 1047 1 1368 1 1205 1179 1 1 1 1 1756 1 1 1373 493.1145 *493.2393* 493.2393@1.9472598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.2393 *494.1055* 494.1055@1.9295988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2817 3050 1 1 1 1 1 1 1 1 1 1194 494.1055 *494.1277* C22 H32 Cl2 O6 S 9131 8947 19250 19396 13154 13073 14221 14650 14597 14682 12062 12779 15150 14840 19149 19800 22974 21585 14945 14405 13364 12574 9304 9835 9630 11127 5739 5582 12389 13678 11225 10597 14569 14540 9141 9263 6916 7250 9530 10149 25080 25001 7295 7521 10993 10611 9667 9133 11870 12400 20063 19526 11746 5066 16490 16842 8176 8514 10724 11601 15663 16316 21828 20588 11480 11709 13558 12801 7576 9807 13218 12166 6197 6450 4102 4300 10075 9327 12619 12266 5926 3216 14001 13535 1649 4065 9934 10366 5822 5509 494.1277 *494.1561* 494.1561@2.052518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 494.1561 *494.252* 494.252@3.2551916 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.252 *494.3921* 494.3921@1.0624073 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 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 1376 1246 1 1 1 1 1359 1134 1 1 1 1 3113 1645 1 1 3516 1954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.3921 *495.1235* 495.1235@1.6253314 1 1 1 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 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 1 495.1235 *496.1221* C23 H20 N4 O9 2215 1 4310 1 2577 1 1 1 4646 4436 1 4351 4974 1 5208 5671 3532 3129 1 1 3745 4163 5163 5332 3062 1 8568 8132 3738 4022 4423 4862 1 3134 1 4440 1 1 2482 1 5561 5698 1 5943 3383 4037 2947 2922 5383 5575 1 9942 4193 4001 3928 4556 6309 6129 1666 1699 5712 5481 4190 3830 1 3701 5310 5351 3515 3396 3886 3206 5153 6342 4728 4186 4725 4587 9343 4719 3835 1 6549 6631 6949 7091 8140 1 5197 1 496.1221 *496.1225* 496.1225@2.1678767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 496.1225 *496.1237* 496.1237@1.6278737 1 2667 1 4569 1 2684 5038 4785 1 1 3843 1 1 4719 1 1 1 1 5297 5165 1 1 1 1 1 3363 1 1 1 1 1 1 2959 1 3559 1 3733 4050 1 3335 1 1 5395 1 1 1 1 1 1 1 8997 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 4672 1 3986 1 1 1 1 1 8689 1 4865 496.1237 *496.1274* 496.1274@1.059519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3137 1 1 2107 1 1 1 1 1 496.1274 *496.1443* 496.1443@0.9445944 1 1 1 1 1 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 1 1 1014 1 1 1 1 1 1 1 1 1 1 496.1443 *496.1959* Trp Tyr Glu 2065 2601 4468 4790 4074 4456 7025 7096 3079 2822 7353 7149 4003 3789 4881 4237 4555 4837 5596 6862 6366 5420 2358 2545 2903 2944 6526 5713 2918 3061 4495 4656 6670 7794 4220 4036 5047 5897 3868 4161 5267 5816 5040 4940 2330 2357 5327 4606 7790 3362 2217 1 1 1 1 1 1 1 1 1 4525 4592 2068 2320 3134 2984 1982 1 2209 3044 3193 2897 1 2091 1 1 2867 3124 2478 1 2634 2094 3122 3216 4021 3994 3075 3444 1 1534 496.1959 *496.3195* 496.3195@1.0333909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1499 1 1 1243 1 1 1 1 1 1 1 1 1 1 1 1 1 1533 1673 1 1 1 1 1 1 496.3195 *496.4036* 496.4036@1.0522907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 496.4036 *498.1351* 498.1351@1.0993072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1450 1 1 1 1 1 1 1148 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 1237 1061 1 1 1 1 1897 2567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 498.1351 *498.172* 498.172@1.1979005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 498.172 *498.244* 498.244@1.0783224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 498.244 *498.251* 498.251@1.0727018 1 1 1 1 1 1338 1 1 1 1 1 1 1 1 1 1 1523 1 1 1 1271 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 1696 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 1 498.251 *498.2581* 498.2581@1.0684627 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 498.2581 *498.2605* 498.2605@1.0729233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1233 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 1088 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 1 498.2605 *498.3295* 498.3295@1.0354253 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 2747 2448 1 1296 1 1 1 1 1406 1 1705 1 1060 1053 1115 1198 1 1 1 1 1 1888 2085 2097 1 1686 1 1 1 1 3248 3309 1358 1544 3000 3327 1 1 1 1093 1 1 1 1 1 1 1 1 1 1 1 1 2562 2699 1 1 1461 1392 1 1 498.3295 *499.1063* 499.1063@0.96817935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1288 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 1 1 1 1 1 1 1 1 1 1 499.1063 *499.936* 499.936@0.70351195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1515 1 1 1 1 1 1 1 1 1 1 1 1 1837 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 1 499.936 *500.1567* 500.1567@1.7553973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 500.1567 *500.1764* gamma-Hydroxyphenylbutazone glucuronide 3818 3679 4534 4176 4648 4786 4194 4074 3846 4162 3712 3700 3641 3720 4458 4215 3694 4059 4077 2961 3784 3639 2937 2788 3951 3698 4123 4107 3266 2997 3169 3348 3828 3878 2803 2582 2445 2923 2319 2469 2695 2867 2239 2439 1947 1645 2927 2227 2455 1769 2258 2595 2645 2883 2031 2888 1447 1499 2330 2817 3917 3893 1875 2076 2498 2299 1319 1327 1594 1666 1239 1298 1274 1364 1000 1 1679 1681 1445 1300 1 1300 1531 1456 1 1 1166 1228 1104 1 500.1764 *500.1897* 500.1897@2.0393782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1898 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 1019 1256 1 1 1 1 1022 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 1 500.1897 *501.8495* 501.8495@5.5538683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1044 1 1060 1054 1 1 1 1 1 1021 1 1 1 1 501.8495 *502.1841* C27 H35 Cl N2 O S2 1 1258 3617 4620 1 1334 1 1 1880 2617 2182 2447 1 1485 1 1 1 1 1390 2499 1 1 1 1406 1036 1917 5836 2980 1486 1 1359 1794 2187 1532 1 1 1552 1727 3470 1 1 1 1715 2513 2715 1661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1581 1314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 502.1841 *502.185* 502.185@1.940509 1 1 3760 3901 2368 2422 1 1 3284 2707 1918 1909 1783 1 1 1 1 1 2515 1723 1 1 1960 1 1431 1806 5492 7466 1027 1 2205 2300 2123 2803 1 1 1 1452 3949 6959 1 1 2944 1970 1450 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 1 502.185 *502.2867* 502.2867@1.057235 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 2572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 502.2867 *503.1075* 503.1075@0.81501615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 503.1075 *504.1988* 504.1988@1.9117055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.1988 *504.1989* 504.1989@1.4624236 1 1 1 1 1 1 1 1 1 1 1 1 1 3519 1 1 1 1 1 1 1 1 1 1 1 1 1 1863 1 1 2988 1 1866 2732 1 1 1 1 1 5683 1 1 1 1 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 1 504.1989 *504.1998* C27 H36 O5 S2 8766 8705 14486 15395 13106 12907 4017 4442 12995 12798 14505 15359 17308 15104 9743 8796 1 1 18062 17592 6034 6333 12368 11751 10258 10200 21993 22562 8894 10049 13745 12888 15550 14464 8120 8166 8392 8116 18164 16822 1 1 11962 12288 13303 12217 5286 4806 2495 1 1 1 1034 1 1 1 5641 6412 1 1 1 1 1 1 1237 1292 1 1 6834 6111 1 1 1 1 1 1 3081 3196 1 1 1 1 1 1 5655 5033 4019 4099 1 1 504.1998 *504.2508* 504.2508@1.1896337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.2508 *504.294* 504.294@1.0371114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2583 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 1372 1 1 1 1 1 1 1 504.294 *504.306* 504.306@1.0295471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 504.306 *505.2307* 505.2307@1.1987479 1 1 1 1 1 1 1 1 1 1 1 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 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 1 505.2307 *506.2392* 506.2392@1.0153255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1316 1 1 1 1 1 1 1 1 1 1 7403 6623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5085 2115 8234 8186 1 1 1 1 1 1 506.2392 *507.0636* 507.0636@2.4132197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 507.0636 *507.0639* 507.0639@2.3693268 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 3446 3203 1 1 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 5283 1 1 2113 3745 1 1 3597 2750 1 1 507.0639 *507.0641* C19 H21 N7 O2 S4 2313 2138 1934 1666 1920 1942 2612 2668 2457 2152 2370 2129 3727 3590 2567 2617 2388 2494 3465 3130 3622 3540 3634 3617 1 1944 3649 3363 2587 3094 1788 1866 1321 1436 2000 1983 1424 1507 1713 1326 2443 2411 1721 1815 2169 2021 1 1662 3073 3207 1516 2172 1320 1131 1956 1736 1826 1484 2238 2279 1 1 1324 1604 1 1 1574 1 1190 1239 1 1 2378 2513 1 1 1 1 1 1 1 1 1159 1343 1 1 1 1 2201 2346 507.0641 *507.0952* 507.0952@0.8394837 1 1 1 1 1 1 5949 5621 1 1 1 1 5946 5961 1 1 24776 23903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37862 37981 1 1 1 1 1 1 1 1 8815 8586 1 1 1 1 1 1 1 1 1 1 23628 23555 507.0952 *507.1774* C17 H30 Cl N9 O5 S 1794 1893 1 1 1 1 1 1 1519 1630 1 1 1487 1800 3498 3350 2063 1771 1248 1346 1144 1061 1871 1598 1292 1157 1687 1594 1194 1222 1 1 1 1 1 1 1338 1415 1 1 1 1 1 1 1 1 1 1 1722 1874 1960 2017 1368 1509 3132 3541 1 1 1549 1461 2384 2424 1 1 1391 1492 1259 1442 1371 1337 3140 3102 1 1 1 1 1929 1886 2086 1934 2731 2765 1 1 1 1 1381 1356 1362 1 507.1774 *508.0609* C24 H25 Cl O4 S3 1 1 1 3033 1 2309 4549 4920 1 2118 1863 1 3931 3534 1 1 2462 3346 1 1 9556 7067 3085 2559 7935 5042 9916 7732 6500 5429 1 1 1 1 2607 1737 1 1 1 1 1 1 1 1 1 1 1 1 3018 3236 11112 11609 4045 1 5226 6618 1 2935 1 1 7519 8753 1 1 9037 5324 10309 9996 1810 1 4726 4305 7727 6828 1 1 7406 7941 20341 18401 10950 10433 9625 13354 6604 7652 12095 11849 8820 7892 508.0609 *508.0612* griseorhodin A 8889 8560 8351 7922 6866 8388 9992 11270 8887 8206 9349 8387 13912 13160 9917 9922 9949 9390 13635 12448 13705 12805 13912 13247 8710 8157 13646 13366 9318 9610 8081 7718 5657 5346 7987 7660 6629 6521 6120 5980 9754 9368 7749 7912 8402 7862 5967 4904 13083 12764 6771 7457 4828 5146 8515 8256 7044 6114 8648 8872 4159 1882 7479 6619 3358 3088 5466 4644 5836 6020 1 1 9084 9961 4520 1601 1597 2849 1 1 2706 3002 4897 4817 1 1 3882 4368 9155 9083 508.0612 *508.0613* 508.0613@2.3943126 1 1 1 1 1 3328 3620 5746 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4139 2466 1 1 1 1 1 1 1 1 1 1 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 1 1207 1 508.0613 *508.0986* 508.0986@1.9296862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 508.0986 *508.1609* C26 H20 N8 O4 1 1 1227 1 1022 1073 1895 1799 1 1629 1476 1346 3315 3451 1653 1771 2127 1853 2273 2044 1720 1222 1359 1039 3838 3540 1909 1972 2247 2074 3689 3793 1 1 1387 1213 1143 1225 1 1 2447 2347 1149 1319 2940 2689 1951 1627 1 1 1897 2364 2622 2210 2342 2749 1171 1183 2150 2260 5185 4798 1608 1627 5664 5039 1463 1652 2148 2223 1 1 1583 1496 1640 1622 2501 2156 1 1 1261 1650 2151 2431 1 1 1799 1820 2989 2699 508.1609 *508.1758* C29 H32 O4 S2 4490 4235 1788 2011 1 1 1023 1 4004 3824 1783 1802 3834 4084 8553 8093 4724 4687 2817 3333 1 2550 4174 4413 3321 3227 3809 3959 2748 3163 1642 1 1 1 1 1 2964 2439 2120 2395 1230 1625 1 1 2134 1835 1887 2103 5149 5059 4717 4714 3538 4287 7991 7834 1509 1783 3323 3336 6036 6299 1188 1214 3245 3414 3681 3412 3489 3136 7875 7467 1 1 1 1243 4602 4797 5010 4219 6894 7496 1041 1171 1887 1590 3442 3725 2363 2474 508.1758 *508.2256* 508.2256@1.1992435 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 1 508.2256 *508.2299* 508.2299@3.3973994 1 1 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 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 1568 1 1 1794 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 1 508.2299 *508.2372* 508.2372@1.0159231 1 1 1 1 1 1 1 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 1758 1574 1 1 1 1 1 1 1 1 1474 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 2878 1 1 1 1 1 1 1 1 508.2372 *509.9342* 509.9342@0.89439553 1480 1 1 1022 1 1 1243 1311 1140 1 1 1341 1 1 1 1195 1 1 1 1 1110 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 1239 1 1 1 1041 1 1 1 1 1 1 1 1 1 1125 1 1 1 1 1276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 509.9342 *510.061* 510.061@2.852634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 510.061 *510.1225* 510.1225@1.6260617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1873 2002 1 1 1 1 1 1 1 1 1 1 510.1225 *510.212* C27 H26 N8 O3 2091 2101 4294 1 2296 2816 6614 5447 2973 2829 6308 6618 3208 3382 3848 3349 3455 3944 5222 5790 5120 4978 2121 1 2761 2915 5843 5855 3324 2871 4672 3594 7406 6287 3612 3649 4484 4989 3196 3148 4285 4483 4282 3901 2341 2112 1 4403 6901 3756 2061 1 1 1546 1 1 1 1 1 1 4338 4074 1655 1787 2513 3033 1 2074 2189 1 2796 2721 1814 2134 1 1 2596 2639 1 1691 1 2324 3230 2779 3518 3367 3043 2821 1 1 510.212 *510.8925* 510.8925@0.8986659 1 1 1 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 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 2879 3133 1 1 1 1 1 1 1 1 1 1 510.8925 *510.901* 510.901@0.89787436 1009 1 1 1055 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 1 510.901 *511.033* 511.033@5.6412783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1317 1 1 1 1 1 1 1 511.033 *512.3468* 512.3468@1.0110686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2389 2496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2841 3114 1 1 1 1 1 1 512.3468 *512.4028* 512.4028@1.079619 1 1 1 1 1 1 2768 2830 1 1 1310 1 1 1 1055 1439 1 1 1 1 1 1 1 1 1 1 2509 2217 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 1426 1 1 1 1 1234 1414 1 1 1 1 1729 1872 1 1 2630 2636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.4028 *513.1219* 513.1219@0.95838356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1097 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 1 513.1219 *513.2732* 513.2732@3.0017142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3721 3823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3760 3964 1 1 513.2732 *514.0299* 514.0299@0.8706569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1401 1347 514.0299 *514.207* 514.207@1.94903 1 1 1 1 1 1 3899 3485 1 1 1 1 1 1 1 1 2666 2545 1 1 3302 1 1 1 1 1 1 1 1 1 1 1 2197 2276 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 2595 2614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2096 1 1 1410 1 1 1 514.207 *515.3294* 515.3294@4.5831213 1 1 1 1 1 1 1 1 1 1 1 1 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 1 515.3294 *516.1992* 516.1992@1.8573639 1 1 4064 3155 1678 1015 1 1 2384 2067 1994 2572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6575 3977 1 1 1 1493 1 1705 1 1 1 1 3065 1 1 1 2151 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.1992 *516.2002* 516.2002@1.9315108 1 1 3836 3449 1081 2249 1 1 1595 2504 2137 1841 1 1423 1 1 1 1 2531 2362 1 1 1 1 1863 1 5751 5689 1 1 1546 2007 2531 2503 1 1 1389 1 4962 5591 1 1 2078 2050 3509 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 1 516.2002 *517.1947* Naltrexone-3-glucuronide 3992 4555 3402 5430 5781 5157 5042 6580 3209 3090 3869 4115 3364 4776 5322 4483 3797 4979 3733 3601 3593 5265 2831 4517 2609 1380 3802 3088 4087 3892 3199 3278 3721 1 3187 5440 3522 1 3004 2986 4996 4607 5628 3431 1726 2325 5287 6848 3934 2587 2074 1 2910 1 1 1 1 1 1 1 1 1 2180 1 1 1 1 2298 1 1 1 1 1 2356 1 2592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.1947 *517.1971* 517.1971@1.5481145 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.1971 *518.0734* FUMARPROTOCETRARIC ACID 4335 3934 2365 2119 1 1 1 1 3555 1866 1783 1604 3531 2970 2569 5147 5047 4861 1 1 2780 1280 3664 3506 3188 3329 3269 1 1 1394 1 1376 1 1 1 1246 2421 2932 1397 1602 2535 1277 1 1 1 2405 2150 2513 3897 1586 1682 1932 4345 4288 5872 2402 1675 2276 3710 3752 4658 2224 1 1885 3697 4080 1613 3408 1 2947 4692 2721 1 1 1 2418 2129 4276 2808 1 2420 1 1 1833 1 1 1651 1675 3040 1454 518.0734 *518.1833* 518.1833@1.4097961 1 1 1 1 1 1 5950 4629 1 1 1 1 1 1 1 1 3529 3113 1 1 1 3537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3533 3950 1 1 1 1 1 1 4517 2714 1 1 2262 1 1 1 1 1 1 1 3069 3008 1 1 1 1 1758 1 1 1 3287 1775 2667 1 1468 1 1 1 1 1 1 1 2600 3222 1 1 1 1 1 1 518.1833 *518.1864* 518.1864@1.4110097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3387 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.1864 *518.1963* 518.1963@1.4246105 1 1 1 1 1 1 1 1 3672 3257 3998 5106 1 3027 1 1 1 1 5104 3925 1 1310 1 1 1 1 1 1 1 1 4066 3390 1 1 1 2415 2885 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 4514 1 1 1 1 1 1 1 6975 5237 5034 1 1 518.1963 *518.2098* 518.2098@1.4797847 1 1 1 1 1 1 1 1 1 1 1 2770 2623 1 1 1 1 1 1 1 1 1 2696 1 1 1 9759 1 1 1 3109 2928 6558 7879 1 1 1 1286 1 4776 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 1 518.2098 *518.2104* 518.2104@1.541387 1 1 1 1 1 1 1 1 2704 1 1 1 1 1 1 1 1 1 1 1 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 2272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.2104 *518.2145* C28 H38 O5 S2 7528 7823 13267 14661 11794 12459 4158 4168 11567 11093 14827 14511 14620 14060 8733 8038 1 1 16481 15562 5497 5656 10767 10873 10257 9652 21045 21567 8141 9169 12118 12927 13729 13818 7139 7227 7196 8199 17397 16171 1 1 11025 10545 12480 11991 4836 5142 2204 1 1 1 1108 1 1 1 5786 6631 1 1 1 1 1 1 1129 1431 1 1 6732 6620 1 1 1 1 1 1 2636 2997 1 1 1 1 1 1 5146 4778 4089 4039 1 1 518.2145 *518.2661* 518.2661@0.7150959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1760 1743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1480 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 1025 1 5534 5515 1 1 1 1 1 1 518.2661 *518.3932* 518.3932@1.0726354 1 1 1 1 2747 2438 1672 1485 1 1 1146 2576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1530 1 1 1 1 1498 1425 1725 1 1 1 2345 2600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.3932 *519.0772* 519.0772@2.0647774 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 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 1538 1599 1 1 1 1 1 1 1 1 519.0772 *519.147* C24 H28 Cl3 N7 1 1 1 1 7193 6782 1134 1 1182 1007 1160 2928 1 1 3207 1570 1497 3167 1 1081 1387 1 1 1 13960 15312 4876 6209 18933 16839 5801 6004 16364 16236 14653 14508 5984 6539 14634 13713 10434 10622 8392 7537 1 1 1 1152 9906 10684 20502 20494 8845 8089 11060 11267 1 1 20631 20728 7914 8020 1039 1082 11036 11595 1 1 8970 8947 16920 15500 3919 4206 1 1 3518 1668 5101 2048 1735 4671 23952 24035 1 1 8122 7937 5514 5457 519.147 *520.0751* 520.0751@2.061862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1566 1 1 1 1 1 1 1 1 1 520.0751 *520.0876* 520.0876@1.408335 1 1 2786 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 520.0876 *520.1676* 520.1676@0.9319171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 520.1676 *520.4041* 520.4041@1.0685736 1 1 1 1 2931 2801 1212 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 1497 1230 1 1 1 1 1215 1358 1977 1338 1 1 3746 2145 1 1 1739 1569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 520.4041 *521.1446* 521.1446@1.0854473 1 1 1 1 1 1 1230 1 1 1 1421 1 1 1 1 1783 1865 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 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 1427 1 1964 1778 1 1 1 1 1 1 1 1 1 521.1446 *521.915* C12 H12 Cl2 N4 O9 S3 10592 5624 5810 1 4496 5117 5342 1 10210 4659 7693 4680 6164 6243 6453 5880 1 2771 10749 5291 5799 6335 5312 1 5671 4580 5938 4127 9663 5336 5713 5262 5340 5506 5559 10252 4539 1 4241 4524 5664 1 10675 1 1 10749 1 5051 10618 5746 1 4461 11098 6052 1 6388 5899 10946 4715 5541 8686 1 5862 9396 1 1 1 8976 1 5036 4332 1 9672 9298 1 5148 1 4849 1 4329 4868 3691 6080 1 6097 5595 3898 1 1 1514 521.915 *521.9154* 521.9154@5.698731 1 1 4037 9622 5635 1 3144 10263 1 1 1 5047 1 4294 4156 80221 8120 6638 1 5142 3073 2481 5360 9260 5300 5051 76067 3911 1 5536 4416 4750 3325 4702 1 1 5337 4601 3617 4067 4749 10083 1 1 10098 1 10108 1179 1 5316 1 4330 1 4890 11074 2168 4807 1 2976 4392 1 1 4987 1 11001 10485 5146 1 8949 2292 1 6549 1 1 9449 91671 6735 6155 6852 4701 6419 4319 5361 1 126293 124443 1 10202 8392 3683 521.9154 *521.9159* C14 H6 N2 O16 S2 80070 77244 77449 79037 79682 76671 78431 78513 80775 78760 78495 80669 75196 77500 74941 1193 83675 87041 78244 78102 76695 77108 79887 80778 76530 73674 1917 76300 71629 75096 77959 80055 81118 80573 77108 83061 78040 80107 82160 83664 81655 82786 78659 76728 77349 79369 78995 76520 81706 81997 113744 113358 103936 99385 92996 93903 88403 88156 83135 82902 111804 111375 80708 79331 102665 103994 101468 99706 81665 83335 128325 134913 77904 79852 88441 1785 114319 116104 122654 125432 1062 123825 120529 116903 1011 2236 116246 119051 95677 94713 521.9159 *521.9163* 521.9163@5.684102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4873 1 1 1 1 1 1 1 1 1 1 4387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5600 1 1 1 1 122918 1 1 1 1 1 1 1 1 1 521.9163 *522.2335* 522.2335@1.0266625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1124 2833 1 1 1 1 1 1 1 2528 1 1 1 1 1 1 1 1 1402 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1939 1 1 1 1 1 1 1 1 522.2335 *522.418* 522.418@1.0591613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 522.418 *523.1699* 523.1699@2.0512571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1485 1 1 1 1 1 1 1 1 1 1 523.1699 *524.1105* 524.1105@2.1703691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.1105 *524.1695* 524.1695@2.0522552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5232 4549 1 1 1 1 1 1 1 1 1 1 524.1695 *524.221* 524.221@1.0172449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 524.221 *524.227* 524.227@1.4075774 1 1 1 1 1 1 2714 2432 1 1 2750 2732 1 1492 1 1709 1 1 2317 2449 1 2303 1 1 1 1 1 1939 1 1 1 1 2492 2255 1343 1497 2067 1 1 1 1828 1 1 1814 1 1 1 1 2503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.227 *524.2309* 524.2309@1.0254904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 524.2309 *526.1397* 526.1397@2.6970518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5320 6071 1 1 1 1 526.1397 *526.9677* 526.9677@0.83956575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1676 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1858 1988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1975 526.9677 *527.3533* 527.3533@2.9393964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3164 4138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17140 10890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 527.3533 *527.3545* 527.3545@3.0096464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 527.3545 *528.2213* 528.2213@1.9485406 1 1 1 1 1 1 2767 2705 1 1 1 1 1193 1 1 1 1 1 1 1 2657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2009 2473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 528.2213 *528.2705* 528.2705@1.0515045 1 1 1 1 1 1 1286 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 1282 1221 1 1 1 1 1 1 1 1 1 1 1460 1917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1893 1 1 1 1 1 1 1 528.2705 *528.3333* 528.3333@1.629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 528.3333 *530.1341* 530.1341@1.1449248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 530.1341 *530.1691* 530.1691@1.1852446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 530.1691 *530.216* 530.216@1.9268553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3434 2599 1 1 1 1 1 1 1 1 1 1 3274 1701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.216 *530.276* 530.276@1.0472875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 530.276 *530.2913* 530.2913@1.0469183 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 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 1281 2937 1 1 1 1 1 1 1 1 1 1 3409 3407 1 1 2357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.2913 *530.292* 530.292@1.0433143 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.292 *531.2097* C27 H33 N O10 2127 2365 3380 1 3850 3810 5713 6197 3851 2756 4061 4619 4245 4142 5228 5310 4440 4104 4572 3427 5444 6199 2364 2419 2591 1498 2569 2579 2786 2694 4978 3943 3586 4151 5214 3029 3165 2980 2793 2469 4456 3861 4512 4143 1 1 3275 5702 3336 2352 1 1 2456 1 1 1 1 1 1 1 1525 1 1 1 1 1 1877 1561 1577 1 1 1 1 1 1 1 1 1 1 1 2039 1 1 1 1 1 1 1 1 1 531.2097 *531.2149* 531.2149@1.5080802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 531.2149 *532.195* 532.195@1.4134344 1 1 1 1 1 1 3689 1 1 1 1 1 1 1 1 1 3032 2605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1403 1 1 1 1 3154 3086 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 1219 1 2249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.195 *532.1992* 532.1992@1.4145454 1940 2226 1 3080 1 1 1 3422 1 1 2676 1 2141 1 3143 4147 1 1 1 1 3571 2790 1 1 1 2340 2725 1 1720 2485 1 1 2751 3463 2580 1901 3884 3201 2191 1 1 1 1 1 1 1 2517 2971 1 1 1 1 2118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2430 1 1 1 1 1 1 1 2930 1 1 1 1 1 1 1 2956 1 2711 1 1 532.1992 *532.2116* 532.2116@1.4768763 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 532.2116 *532.221* 532.221@1.5256904 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.221 *532.232* C29 H40 O5 S2 3755 3581 7035 6757 5465 5848 1552 1832 5932 5124 6714 7224 7707 7871 4131 4008 1 1 8437 8410 2996 2643 5650 5103 4744 4795 11277 11446 4065 4562 6729 6361 6469 7630 3394 3289 3915 3874 8969 7881 1 1 5644 4855 6568 5445 2033 1944 1234 1 1 1 1 1 1 1 2230 2881 1 1 1 1 1 1 1 1 1 1 2964 3132 1 1 1 1 1 1 1262 1299 1 1 1 1 1 1 2021 1941 2351 1676 1 1 532.232 *532.6331* 532.6331@0.7792009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 532.6331 *532.6339* 532.6339@0.7479704 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 1482 1 1 1 1 1 1 1 1 1 1 1 2434 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 1 532.6339 *534.9295* C15 H9 N3 O13 S3 2724 2762 2531 2150 2687 2202 1774 1879 2534 2436 2123 2127 2151 1921 2372 2261 1261 1228 1518 1694 2085 1843 2066 2145 2419 2357 1829 1647 1479 1392 2039 2100 2633 2506 2835 2789 2607 2420 2204 2042 2211 1886 2177 2313 1886 2115 2175 2399 1907 2386 2880 3044 2924 3087 3251 2834 3306 3172 2768 2583 2345 2454 2243 2253 2923 2943 1365 1456 1824 1761 1855 1746 2765 3239 2670 2224 1548 1508 1 1 1 2403 2186 2302 2337 2568 1990 2119 1602 1389 534.9295 *535.9311* C23 H4 O14 S 3162 3261 2703 3042 3332 3001 3130 3181 2947 3175 3018 2838 3116 3013 2814 2941 3324 3231 3049 3137 2927 2633 3103 3125 2727 2797 2794 2993 2877 2634 2701 2794 3305 2852 3079 3258 2901 2746 3312 2845 3308 2941 2944 2880 2642 3060 2900 2920 2930 3195 4551 4697 3837 3820 3411 3653 3301 3253 3212 3219 4491 4448 3539 2937 4252 4147 3882 3978 3317 3462 5112 6044 2772 2838 3247 3775 4654 4989 5832 5168 4909 5806 4939 4670 5206 5889 5017 4789 3803 3797 535.9311 *536.252* 536.252@1.0260408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 536.252 *536.4002* 536.4002@1.08364 1 1 1 1 1507 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 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 1 536.4002 *537.0648* 537.0648@1.0769548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 537.0648 *537.8887* C23 H4 Cl2 N2 O6 S2 1 1655 1588 1650 1463 1659 1552 1640 1730 1582 1581 1582 1556 1562 1469 1412 1698 1660 1587 1643 1577 1551 1413 1727 1156 1561 1807 1629 1442 1574 1549 1687 1600 1602 1422 1440 1754 1567 1804 1549 1780 1760 1550 1378 1704 1568 1607 1555 1595 1657 2232 2332 2186 1804 1900 2010 1766 1918 1731 1572 2466 2209 1700 1679 2040 2359 2208 2140 1952 1909 2566 2779 1780 1757 1953 1981 2430 2248 2474 2462 2295 2721 2431 2689 2435 2559 2288 2464 1836 2021 537.8887 *537.8893* 537.8893@5.600277 1 1701 1 1 1 1 1 1 1 1 1 1 1 1 1 1406 1 1 1 1 1 1 1414 1 1455 1 1 1 1 1 1 1 1 1 1 1 1040 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 1885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1048 1 1 1 1 1 1 537.8893 *538.2455* 538.2455@1.0255079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1120 1 1 1 1 1 1 538.2455 *538.2499* 538.2499@1.6255617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4038 4131 1 1 1 1 1 1 1 1 1 1 538.2499 *538.4191* C28 H55 Cl N8 2205 2418 1 1 8075 7716 6556 3804 2581 2806 6075 5237 1 1 1668 1253 1074 1 2482 2094 3189 3011 1 1 1 1 3845 8531 1477 1718 1282 1239 1 1169 1 1 1728 1417 1 1 1045 1008 1 1 1 1 1110 1388 1 1 1 1 3776 4404 1 1 1 1 5597 5607 4336 3066 1 1 10169 5931 1 1 5005 4899 1646 2049 1 1 1 1 1 1 1 1067 1 1 3696 4164 1 1 1340 1315 1 1 538.4191 *539.1386* 539.1386@2.061 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 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 1 539.1386 *540.1346* 540.1346@2.0632493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2224 1 1 1 1 1 1 1 1 1 1 540.1346 *540.1848* 540.1848@1.1352154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1054 1258 1275 1 1093 1 1 1 1 1611 1464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1702 1904 1 1 1 1 1 1 1 1 1 1042 1 1 1 1 2108 1768 1 1 2001 2356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540.1848 *540.2925* 540.2925@1.0375181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 540.2925 *540.3025* 540.3025@1.032084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2723 2382 1 1 1 1 1 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 1 1 1 1 540.3025 *540.4369* 540.4369@1.073391 1 1 1 1 1 1 1 3126 2200 1987 1 1 1 1 1385 1 1176 1140 1 1 1388 1411 1 1 1 1 4090 1 1 1 1837 2257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1064 1 1 1 1 1 3195 3373 1 1 1 1 1 1 1 1365 1 1 1 4639 1 1 1 4865 1 1 1 1 1 1 1 1 1 1 1 1 3369 3429 1 1 1 1356 1 1 540.4369 *541.2168* 541.2168@1.5280162 1 1 2968 2679 2330 1 4998 5466 1 1 1740 4898 2606 1 2691 2667 1 2062 5087 5349 4153 4546 1 1 1 1 6404 5186 1 1 2361 2453 5783 6380 1 1 2911 2581 2884 2438 2108 2552 3386 3179 1 1 1 2607 5455 2002 1 1 1 1 1 1 1 1 1 1 2656 1 1 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 1 541.2168 *541.2177* 541.2177@1.514336 1 1 1 1 1 1 1 1 1 1 4226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.2177 *541.9781* 541.9781@0.8415385 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 1603 1637 1 1 1 1 1 1 1 1 1300 1233 1 1 1 1 1 1 1 1 1 1 1573 1 541.9781 *542.1936* 542.1936@1.0706073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1049 1100 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.1936 *542.2036* 542.2036@1.0682981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.2036 *542.214* 542.214@1.0635788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.214 *542.2267* C29 H30 N6 O5 2009 1 3722 2306 1654 1941 3978 3381 2742 2724 3523 4874 2750 2945 3027 3180 3395 3334 2775 2645 3351 2610 3210 2589 2298 2688 4173 4352 2977 2813 3001 3417 3051 2547 3088 3104 3274 2944 2219 2192 4621 3817 3475 3850 3247 2557 3204 2883 2934 1 2593 1 1 1 1 1 1094 1 1 1 1 2439 1582 1 1 1 1680 1 1 1 1 1 1549 1 1838 1 1 1 5945 5689 1 1 1 1 2335 1 2509 1 1824 1 542.2267 *542.2279* 542.2279@1.6651964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.2279 *542.2282* 542.2282@2.1666064 1 1 1 1 1 1 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 2169 2957 3048 1 1 1 1 1 1 1 1 1 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 1 542.2282 *543.1518* C16 H35 Cl2 N5 O9 S 2085 1858 1071 1249 1 1 1 1 1927 1793 1 1 1749 1757 3508 3093 2269 2300 1369 1414 1252 1 1619 1788 1508 1490 1911 1667 1355 1391 1 1 1 1 1 1 1320 1326 1114 1026 1 1 1 1 1117 1268 1 1 1812 2189 2391 2495 1730 1820 3419 3381 1 1 1621 1522 2483 2589 1 1 1839 1518 1704 1517 1432 1459 3682 3358 1 1 1 1 2089 2038 1 1948 3199 3039 1 1 1105 1 1898 1795 1142 1430 543.1518 *544.15* C29 H25 Cl N4 O5 7199 6920 3498 3996 1 1 1036 1672 6396 5733 1650 2649 5982 5945 11445 11463 7632 8038 5144 5388 4410 4391 6438 6394 6175 5577 6233 6235 4900 4472 3139 3180 1 1 1363 2035 5027 5711 4173 3865 3070 3003 1 1 3905 3941 3095 3099 7369 7881 8667 8366 6397 6756 11600 11018 3132 3367 5389 5537 9118 9369 2463 1347 5697 5963 5389 5650 5641 5364 11168 10988 1 1 2166 2497 7561 8788 7057 7089 10061 11888 2597 2803 4053 3333 6420 6354 4592 4433 544.15 *544.2551* 544.2551@1.0659598 1 1 1 1 1 1 1081 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 1 544.2551 *545.2691* 545.2691@1.0628613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 545.2691 *546.2785* 546.2785@1.0670507 1 1 1 1 1297 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.2785 *546.2806* 546.2806@1.0573243 1 1 1 1 1 1 2793 6398 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 4245 2004 1 1 1 1 1309 1326 1 1 1 1 1954 1398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1622 1519 1 1 1 1 1 1 546.2806 *547.0255* 547.0255@1.120801 1 1 1 1 1 1 1 1 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 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 1585 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 1 547.0255 *548.1415* C40 H20 O3 1918 1598 1 1 1579 1729 1364 1465 1492 1521 1596 1272 1223 1304 2225 1686 1324 1046 1 1308 1446 1687 1153 1493 1242 1492 1498 1546 1372 1294 1642 1614 1461 1702 1 1529 1554 1603 1512 1406 1212 1527 1227 1464 1655 1625 1411 1225 1175 1 1107 1122 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 1 548.1415 *548.1755* 548.1755@2.8255377 1 1 1 1 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 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 1 548.1755 *548.2933* 548.2933@1.0560524 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 1072 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 1282 1365 1057 1 1 1 2960 1 1 1 3084 1 1045 1 1 1 1 1 1 1 1 1 1 1 1 3146 1 1 1 1 1 1 548.2933 *548.2992* 548.2992@1.0580331 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2956 1 1 1 3003 1 1 1 1 1 1 1 1 1 1 1 1 1224 1 1 1 1 1 1 1 548.2992 *548.3139* 548.3139@1.971861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 548.3139 *549.0285* 549.0285@1.1217637 1 1 1 1 1 1 1 1 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 1030 1 1 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 1198 1 1 1 1 1 1 1 1 1 1 1 1 549.0285 *550.0614* 550.0614@2.3511117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2089 1 1 1 1 1 1 1 1 1 1 5101 5294 1 1 3628 2815 1 1 1 1 2357 2113 550.0614 *550.2074* 550.2074@1.0695944 1 1102 1 1 1255 1498 1021 1 1 1195 1 1123 1358 1678 1349 1485 2108 2280 1550 1063 1194 1240 1065 1075 1405 1288 1 1 1385 1 1 1 1301 1 1223 1 1 1047 1241 1416 1198 1153 1123 1 1 1 1 1 1395 1835 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 1 550.2074 *550.2964* 550.2964@1.0536212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1026 1 1 1 1 1 1 1 1 1 1 1 1 1201 1 1 1 1 1 1 1 550.2964 *551.9652* 551.9652@0.8876427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 551.9652 *553.021* 553.021@1.4084998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 553.021 *553.8621* 553.8621@5.540208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1065 1142 1 1 1 1 1 1 1 1 1071 1 1 1157 1 1 1490 1 1 1 1299 1 1 1 1691 1 1049 1225 1326 1126 1 1148 1159 1254 1 1242 1 1 1 553.8621 *553.8892* C14 H15 Cl O11 S5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1061 1 1 1049 1 1022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 1 1 1261 1 1 1 1 1068 1046 1099 1112 1251 1182 1207 1219 1364 1294 1084 1 1 1 1091 1115 1386 1 1406 1371 1116 1335 1 1 1 1 1080 1139 1076 1207 1 1 1070 1088 1 1 553.8892 *554.2888* 554.2888@0.822026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 554.2888 *555.1619* 555.1619@2.3781686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7253 7792 1 1 1 1 1 1 1548 1 1 1 555.1619 *555.2333* 555.2333@1.5270927 1 1 3021 2605 1 1 4529 4632 1 1 5164 5046 1 1 2089 2299 1 2195 3293 4004 3561 3838 1 1 1 1 4496 5373 1 1 1 3200 4263 4167 1 1 2580 2747 2250 1 1 1918 2904 1 1 1 1 1 4493 1 1 1 1 1 1 1 1 1 1 1 1 2495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 555.2333 *556.1259* 556.1259@2.070743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1348 1 1 1 1 1 1 1 1 1 1 556.1259 *556.1592* 556.1592@2.4816663 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 1229 3284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4267 1 1 1 1 1 1 1 1 1 1 3260 1 1 1 1 1 1 1 1 1 1 1 3106 1 1 3256 3282 2259 2577 1 1 5193 5316 1 1 1 4392 5013 1 556.1592 *556.1595* 556.1595@2.3617826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 556.1595 *556.163* 556.163@1.0337081 1 1 1 1 1 1 1 1 1 1 1 1 1167 1 1 1 1 1 1 1234 1 1 1 1 1790 1815 1 1 1 1 1711 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 3191 2779 1 1 2994 2866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 556.163 *556.2419* C30 H40 N2 O4 S2 - 2.1676435 2917 2993 4795 4803 2426 3030 3542 3744 3562 2766 6270 6409 2146 2163 3774 3983 4076 3973 4308 4971 5047 5428 2204 2439 1854 1922 5422 5388 1 1 7996 8213 11056 10763 4284 4530 5648 5371 5080 5478 3716 3690 4164 4078 3810 3272 4206 4242 4472 2143 1 1348 1643 1661 1 1 1 2168 1 1 2526 2590 2975 2537 2672 2649 5129 5318 2729 3279 3727 3782 1 1 2343 2581 1887 1 2195 2409 1 1 1 1 4094 3922 2258 2280 1529 1561 556.2419 *556.2421* C30 H40 N2 O4 S2 8152 8284 8588 8918 7165 6726 10171 9956 10577 9994 8802 9526 9464 9715 11483 11361 11628 12206 10110 9314 8808 8530 10916 11065 9364 9175 13783 12862 10452 9030 10220 10843 8903 8051 10119 10753 10380 9608 7960 8487 15066 15446 11175 11561 9924 9807 10712 10257 12172 6107 10235 9453 5794 5886 6930 6503 6164 6643 3817 4098 7097 7138 6756 6846 5691 5664 6557 6950 3538 4530 5543 5986 7102 7118 6101 6909 5593 5159 19049 17385 5554 5757 6879 6276 6480 6376 6644 7273 6563 6908 556.2421 *556.2914* 556.2914@1.036754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1124 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 1145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 556.2914 *558.1543* 558.1543@0.97328097 1 1 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 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 1 558.1543 *558.2562* 558.2562@1.7599139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 558.2562 *558.4833* 558.4833@1.064328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 558.4833 *561.0827* 561.0827@2.0636857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 561.0827 *562.0792* 562.0792@2.0625474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1694 1 1 1 1 1 1 1 1242 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 1671 1133 1144 1402 1730 1749 1 1 1 1 1 1 1 1 1 1 1221 1 1 1 1 1 1 1 1 1 1 1565 1 1 2011 1986 1 1 1 1 1501 1359 1 1 562.0792 *562.1559* C26 H18 N12 O4 1955 1918 1352 1 1220 1518 1 1 1466 1432 1590 1 1444 1695 2295 2019 1716 1244 1 1070 1619 1834 1 1 1361 1372 1700 1291 1282 1069 1329 1422 1500 1368 1121 1506 1391 1346 1113 1320 1 1543 1 1321 1433 1293 1 1228 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 1 562.1559 *563.097* 563.097@1.0771596 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 1040 1 1 1766 1 1 1 1 1 2733 1 1 1 1 1231 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 1260 1 1 1 1 1 1 1 1 1 1 1 2149 2024 1 1 1 1 1 1 563.097 *564.5567* 564.5567@0.7452503 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 1 1 2326 2628 1 1 1 1 1 1 1 1 1 1 8059 8483 1 1 1 1 1 1 1 1 1058 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 1 564.5567 *565.0933* 565.0933@1.1089878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5351 1 1 1 1 1 1 565.0933 *565.0942* 565.0942@1.0808973 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 1923 1830 1 1 1 1 1 1 1 1 1 1 1016 1877 1 1 1 1 1 1 1 1 2365 2499 1 1 1 1 1 1 1 1 1 1 1 1 1862 1127 1 1 1 1 1834 1517 1 1 1 1 1 1 1 1022 1 1 4251 2973 1 1 1372 1118 1 1 565.0942 *565.1735* 565.1735@0.87484425 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 565.1735 *565.3483* C29 H51 N5 O2 S2 7641 7308 1921 2049 4161 4091 3602 3573 3896 3619 10428 10644 2984 2487 3430 3400 9709 10011 6049 5886 3695 3679 4792 4666 4057 4132 3562 3542 4600 4970 4329 5026 6081 6170 4797 4758 6069 6368 5396 5684 4499 4156 4607 4741 4631 4770 5701 5446 6022 6065 8464 8329 9872 10385 5695 5298 10559 10871 3912 4008 6650 5936 6142 5775 6968 6641 13073 11626 6421 5936 20484 19177 7689 8028 5506 5758 9995 10078 8566 8552 11479 11488 9239 9652 9913 10163 9376 9490 6835 6582 565.3483 *566.3245* 566.3245@4.57756 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 566.3245 *567.0869* 567.0869@1.0759553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 567.0869 *567.3511* 567.3511@6.456354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 567.3511 *568.4791* 568.4791@1.0695499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1069 1271 1 1110 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 1 568.4791 *568.8959* 568.8959@0.89356655 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 568.8959 *569.837* 569.837@5.5517488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1005 1 1297 1 1 1 1 569.837 *570.2574* C31 H42 N2 O4 S2 2288 2551 4629 4540 2301 2119 2241 3425 3126 2502 5800 5660 1870 1772 3426 3077 2873 3739 3982 4265 4666 4754 2146 2607 1 1656 4914 4712 1 1 7247 7477 9626 9815 4377 4505 4608 4469 4377 4635 2950 3250 3727 3781 3299 2237 3317 3651 3890 1860 1 1 1664 1707 1 1 1 2035 1 1 2265 1945 2134 1925 2033 1943 5090 4330 2904 2544 3374 3345 1 1 1755 2009 1703 1526 1873 1 1 1 1 1 3012 3441 2003 2309 1 1 570.2574 *570.2578* C23 H46 N4 O6 S3 6913 7353 8484 7883 5583 6749 8844 8984 10129 9316 8597 8032 8694 9445 10166 10404 11175 10878 8673 7726 7604 7695 9693 9974 8222 8133 11942 11401 8611 9068 9257 9953 6573 7712 9435 9009 8385 8790 7914 7235 13685 12592 10093 9601 9423 8550 9557 9134 10138 5322 8520 7877 5363 5615 5337 5743 5675 5981 4039 4268 6648 6449 6327 6000 5096 4680 5982 6178 4103 4076 5331 4548 5903 6696 5784 6132 4860 4189 17032 17160 5337 4569 6170 6016 5611 5448 6277 6405 6018 5840 570.2578 *574.3121* 574.3121@1.0551635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 574.3121 *574.4557* 574.4557@1.0584627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1087 2199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 574.4557 *575.0431* C27 H24 Cl3 N3 O S2 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 1517 1299 1 1171 1307 1 1266 5789 6480 1091 1 1 1 1 1 1179 1389 1 1 1 1 1 1 1395 3218 1352 1392 1 1145 1284 1462 1127 1 4586 4101 2021 1905 1 1 3548 1426 1 1 1495 1291 1267 1 1 1 1 1 1 1191 1 1 1 1 1639 3825 1 1 1 1 1 1 575.0431 *575.1094* 575.1094@2.067489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 575.1094 *576.0575* 576.0575@2.3469234 1 1 1 1 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 3248 3057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1650 2379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3447 1 1 1 1 2511 2366 576.0575 *576.0595* 576.0595@2.377107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 576.0595 *576.1012* 576.1012@2.0677445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3949 1 1 1 1 1 1 1 1 1 1 576.1012 *576.1706* 576.1706@0.9083146 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 576.1706 *576.3173* 576.3173@1.0521653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 576.3173 *576.331* 576.331@1.0405387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 576.331 *576.3547* 576.3547@1.0285091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2831 1 1 1 1 1 1 576.3547 *577.0436* 577.0436@1.0965377 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 1504 1249 1217 1291 1366 1 1289 1 1 1 1 1 1 1 1 1312 1281 1 1 1 1 1158 1 1377 1 1679 1363 1 1 1227 1501 1222 1 1 1 3476 2747 1 1 1 1361 1 1 1202 1 1365 1 1 1 1 1 1 1 1 1 1 1 1860 1 1 1 1 1 1 1 577.0436 *581.3416* C28 H47 N5 O8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1309 1 1 1508 1 1 1 1 1 1 1 1 1777 1 1 1 1 1 1 1 1 1 1 1 1 1 2021 1624 1 1 1 1 1978 1768 3194 2871 1 1 2530 2615 1 1 1577 1 1 1 1 1 1 1 1 1 1 1 2774 2659 2198 1 2656 2223 2296 2259 1 1491 2809 2811 3179 3484 2495 2760 1617 2223 1497 1 581.3416 *584.2609* Bilirubin 1596 1706 1 1147 1 1270 2565 2690 1883 1844 2851 2665 1 1 1780 1852 1 1 3739 3683 1528 1965 1373 1 1 1 3086 3141 2445 2364 1359 1304 4921 4709 1 1 1482 1447 1584 1140 4394 4597 1 1054 1 1701 2409 2692 3762 4141 2130 1866 8697 8591 1 1 1 1389 4336 4572 4640 4488 1158 1827 3042 2938 1 1 2522 2647 3971 3915 2511 2267 1127 1182 1 1 1 1 1130 1 2609 3062 1 1 5558 5241 1623 1107 HMDB00054 C00486 584.2609 *584.2695* 584.2695@1.0514466 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.2695 *584.2728* 584.2728@2.1682525 1 1 1 1768 1 1 1 1 1301 1 2270 2103 1 1 1 1 1562 1445 1933 1 1861 1911 1 1 1 1 2090 1644 1 1 2862 3134 4715 4788 1 1654 1561 1 1734 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 1720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.2728 *584.2741* C28 H32 N12 O3 3087 3094 3427 3873 2839 2700 4003 4282 4279 4301 3818 3667 3708 3885 4506 4622 4574 4596 4007 3339 3522 3248 4699 4464 3908 3528 5408 5135 3957 3851 4237 4287 3588 2835 3898 4183 3605 3961 2975 2859 6094 5657 4332 4637 4271 3991 4095 3838 4297 2247 3722 3939 2013 2491 2210 1 2464 1 1 1 2364 2488 1997 2514 1 1768 2313 2644 1710 1789 1 1697 1 3455 2592 2613 1 1 8206 8503 1942 2081 2303 2321 2351 2675 2160 2489 2333 2330 584.2741 *588.3969* 588.3969@1.0946159 1 1 1 1 1 1 1 1 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 2799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 588.3969 *588.4142* 588.4142@0.9995117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4711 4660 1 1 1 1 1 1 588.4142 *589.8999* 589.8999@5.7121177 4773 1 1 1 4765 1 1 1664 1 1 1 1 1 1 1 1 1 1 1 1 1 8719 4712 1 1 1 2549 3082 4056 4693 1 1 1 1 1 4626 1 1 3598 1 1 1 1 1 1 1 1 1 1 3785 1 1 1 9460 1 1 1 1 1 1 1 1 1 4000 4362 1 4477 1 1 1 1 1762 1 1 9093 1 1 1 1 1213 4283 1 1 4584 1 1 2006 4644 1 4823 589.8999 *589.9014* C19 H12 Cl2 N4 O6 S4 3268 8531 8246 7672 2900 1 8218 4129 3787 8478 7518 1 4069 8102 7288 8319 3150 7972 4214 4232 4092 1 4034 8790 3649 9003 4878 4742 4188 4060 4559 3710 8081 4564 8192 3780 4356 3311 4986 3718 4339 3102 4737 8423 4888 8499 4613 4857 8618 5159 4405 4459 1 1 4391 8686 3183 4551 3594 5508 9292 4177 4310 5321 4284 3539 4655 4360 4956 8706 4577 4418 3825 8949 1 4562 3855 3917 3226 3889 4888 4716 5038 4086 4568 5087 3756 3590 3508 1 589.9014 *589.9022* 589.9022@5.6874437 1 1 1 1 1 1 1 2615 1 1 1 3106 4394 1 1309 1 1 1 1 3833 4778 1 1 1 1 1 1184 1 1 1 3703 4262 1 3426 1 1 1 1 1 1 3760 5163 3773 1 3711 1 4005 3879 1 1 4608 1 1 1 4632 1 5379 1 1 3866 1 1 4907 1 1 5093 1 3656 3973 1 1 2825 5027 1 1 4028 1 96207 1 2055 1 4424 3507 1 4374 1 2293 1 4124 1 589.9022 *589.9029* C20 H2 N2 O18 S 64058 64719 63662 66714 65751 64141 66271 64827 66613 65340 66697 67796 63522 62784 61791 64393 69760 72374 63478 64150 64635 63582 67044 68693 61720 60860 62785 64441 59371 59379 64898 65779 67933 67282 65149 64839 64557 65221 67391 69612 67932 65791 62627 63696 62881 62266 63689 62950 64794 67232 95001 95668 82678 82114 76895 79193 70084 71378 66286 69277 92139 92050 66228 66514 85342 85920 82869 81843 66780 67675 108987 113390 64475 63107 73909 74987 96731 2453 103799 104939 103671 104981 101077 99200 104941 104887 97016 97688 78110 79310 589.9029 *592.4646* 592.4646@1.064002 1 1 1 1 1119 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 2533 2574 1 1 1 1 4556 1331 1 1 1 1 2184 2225 1 1 1 1 1395 1114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.4646 *592.9856* 592.9856@2.5892804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.9856 *592.9873* 592.9873@0.7151935 1 1 1 1676 1 1 1 2018 1 1 1 1 1 1 1 1 1 1 1 1 2194 1 1 1 1 1 1 3127 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 2185 1 1 1 1 1 2267 1 1 2006 1 1 1 1 1 1 1 1 1 1 1 1 1773 1 1 1 592.9873 *592.9884* 592.9884@1.1851934 1 1 1 3153 1 1 1 1 1 1 1353 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 1659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1032 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 1 592.9884 *592.9893* 592.9893@0.76964396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 592.9893 *593.0662* 593.0662@1.5184203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 593.0662 *593.0768* C36 H11 N5 O5 10450 10822 19291 21721 16626 18287 31305 33902 15516 17230 33648 29943 19585 19305 22407 22665 22312 22461 26402 25778 25602 26922 10665 10931 11453 11712 22845 22299 13285 13886 20197 20917 30126 30716 19197 17494 21389 20966 13864 16100 22634 22718 20382 21118 8272 1 22767 22711 28752 36773 27660 30186 26634 25893 15055 16061 9540 10679 14122 13571 50940 52425 29467 28588 38118 37818 27931 28467 28113 30427 39306 33318 31762 30912 23136 24921 34646 39087 22460 21173 33853 32169 37591 39884 47271 46286 41070 39466 20940 21297 593.0768 *594.329* C31 H46 N8 S2 1 1 1 1 1 1 1530 1288 1 1 1 1 1 1 1226 1166 1168 1764 1 1211 1462 1588 1 1 1 1 1862 1734 1 1059 1283 1607 1156 1 1 1 1 1 1 1 1760 1520 1 1289 1 1 1 1 1 1 1417 1596 2165 2565 2025 2128 1 1 2377 2449 2239 2284 2544 2644 3193 2699 1645 1830 1859 2395 2151 1448 1055 1522 1 1 3306 2331 3014 3179 4832 4288 3989 4222 1878 2075 1964 2521 1 1401 594.329 *594.4738* 594.4738@1.0629131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 594.4738 *594.4821* 594.4821@1.0622748 1 1 1 1 3577 2694 3361 3406 4500 4468 4310 4098 1 1 1423 1428 3937 2025 1786 1354 2872 2180 1 1 1 1 12111 1 3244 1541 1 1 1 1 1 1 3120 2946 1 1 1 1 1 1 1 1 1380 1125 1 1 1 1 7169 7795 1 1 1 1 1 5761 5282 4979 1 1 8661 7418 1 1 7534 7232 2138 2436 1 1 1 1 1 1 1 1099 1 1 3975 2444 1 1 1055 1 1 1 594.4821 *595.0638* 595.0638@1.5013803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3296 1 1 1 1 2957 1 1 1 1 1 2610 1 1 1 1 1 1 1 595.0638 *596.0299* C25 H16 N4 O10 S2 1 1 4759 4560 2422 2375 7947 7715 2468 2637 9981 10288 3818 3392 4282 4587 3571 3061 7008 6507 5612 5257 1233 1439 1546 1358 6190 5566 1868 1862 5025 5428 9710 9823 3514 3748 5562 5902 3827 3974 4565 4354 5592 5381 1 1 5285 5163 8617 10983 6827 6956 6987 6356 1959 2278 2085 1821 1695 1806 19863 20059 6303 6525 11220 12438 6569 6038 9980 10082 12785 13477 7915 8451 5370 5581 14145 14254 4804 5131 9456 9440 13327 13833 21526 21662 15667 15291 3862 4652 596.0299 *596.496* 596.496@1.0615736 1 1 1 1 1 1066 1 1 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 1 1 1 1 1 6494 1 1280 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 1065 1 1 1 1 1 1 596.496 *597.3387* C40 H43 N3 O2 1 1 1 1 1 1 1 1 1 1 1162 1 1 1 1 1 1667 2405 1135 1 1396 1 1 1 1165 1 1334 1 1 1 1 1876 1211 1466 1387 1186 1532 1402 1 1 1703 1 1 1350 1 1 1167 1400 1 1 1704 1 1754 1617 2520 2759 1 1281 2692 2366 1 1 1 1 1 1 1 1 1 1 1453 1290 1725 1287 1046 1163 1412 1546 1 1 1848 2399 3122 2695 2411 2361 2085 1678 1 1 597.3387 *600.2855* 600.2855@1.4013243 1 1 1212 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 1 600.2855 *600.3333* 600.3333@1.0559142 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 1127 1 1 1 1 1 1 1 1 1 1 1 1557 2504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 600.3333 *602.343* 602.343@1.0527345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 602.343 *603.9174* C21 H4 N2 O18 S 2743 2886 2395 2889 2911 2681 3154 2922 2769 2840 3083 2847 2896 2860 2614 2788 2951 3007 2866 2690 2639 2802 3083 3431 2629 2691 2637 2728 2410 2589 2648 2627 3214 3064 2632 2853 2365 2674 3080 3274 3064 3069 2787 2700 2395 2722 2829 2762 2798 3216 4498 5069 3979 3936 3677 3610 3114 3506 3273 2821 3972 4121 2850 2607 3754 4074 3494 4343 2996 3169 5822 5439 2895 2964 3134 3494 5631 4745 4854 5766 4821 5481 5044 5398 5608 5365 4171 4658 4074 3762 603.9174 *604.1629* 604.1629@2.0462434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1554 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 1266 1 1 1 1 1 1333 1008 1 1 1 1 1 1 1 1 1 1560 1 1 1 1 1 1 1 1 1 1114 1 1 1 1 1 1 1 1 604.1629 *604.261* 604.261@1.4038284 1 1 4897 4975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 604.261 *605.8714* 605.8714@5.6190977 1 1 1 1172 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 1 1 1 1 605.8714 *605.8776* C30 H4 Cl2 N2 O3 S3 1216 1401 1350 1197 1418 1061 1471 1412 1290 1 1440 1 1121 1200 1282 1116 1390 1465 1386 1 1149 1 1235 1350 1162 1230 1278 1276 1 1157 1173 1055 1108 1393 1349 1265 1183 1211 1246 1344 1397 1317 1 1 1161 1 1187 1116 1253 1374 1958 1517 1473 1606 1426 1584 1671 1537 1294 1272 1762 1757 1358 1354 1724 1798 1536 1756 1450 1545 2077 2031 1274 1355 1447 1578 1756 2118 2207 2231 1912 2113 1941 1889 2270 2110 1726 1931 1594 1513 605.8776 *606.332* 606.332@1.0585417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 606.332 *606.3348* 606.3348@1.0571624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 606.3348 *608.1216* 608.1216@0.9699802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1057 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 1 608.1216 *608.3203* 608.3203@1.0591362 1 1 1299 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 1146 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 1 608.3203 *610.3329* 610.3329@0.9776712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3015 3002 6064 5952 1 1 1194 1320 1 1 1 1 1 1 1076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1793 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 1 610.3329 *611.1494* C17 H36 Cl3 N11 O3 S2 1654 1563 1 1 1 1 1 1 1398 1458 1 1 1704 1415 2376 2288 1946 1727 1353 1368 1346 1344 1320 1516 1287 1372 1151 1416 1222 1295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1920 2085 1972 1888 1433 1476 2431 2489 1 1 1408 1401 1 1522 1 1 1343 1354 1 1334 1 1 1851 1445 1 1 1 1 1 1946 1300 1224 2402 2249 1 1 1 1 1435 1506 1202 1154 611.1494 *612.148* C28 H16 N14 O4 2641 3098 1344 1383 1 1 1058 1 1945 1 1 1111 2777 2131 4492 3918 3822 3147 2340 2268 2050 2265 3098 2677 2206 2118 2020 2389 2393 1 1115 1151 1 1 1 1 1365 1522 1384 1380 1164 1377 1 1 1672 1302 1042 1261 3205 3190 3993 3620 2683 3096 4704 5038 1235 1118 2563 2602 3082 3260 1 1 1842 1762 2060 2224 1845 1827 2678 2635 1 1 1 1064 2386 2900 2350 2173 4334 4596 1105 1 1555 1214 2423 2197 1750 2245 612.148 *614.5439* 614.5439@1.0628673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1103 1236 1 1 1 1 1 1 614.5439 *616.5272* 616.5272@1.1498656 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 616.5272 *618.2395* 618.2395@0.9085218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1957 1 1 1 1 1 1 618.2395 *618.2774* 618.2774@1.404828 1 1 16562 17480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 618.2774 *618.4223* 618.4223@1.0140104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1679 1 1 1 1 1 1 618.4223 *619.3819* 619.3819@1.0302165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1794 1701 1 1 1 1 1 1 1 1 619.3819 *619.9074* C24 H7 Cl3 N2 O12 1400 1396 1014 1 1116 1009 1 1 1 1136 1 1083 1 1 1 1 1 1 1 1 1 1 1088 1148 1028 1097 1 1 1 1 1263 1247 1213 1159 1255 1170 1180 1171 1122 1226 1101 1 1 1135 1 1 1 1017 1117 1397 1585 1495 1365 1340 1335 1532 1484 1679 1231 1158 1180 1366 1119 1199 1294 1153 1 1 1 1 1 1 1675 1412 1379 1430 1 1 1 1 1225 1274 1326 1226 1323 1 1060 1005 1 1 619.9074 *620.3524* 620.3524@1.0643439 1 1 1 1 1 1 1376 1437 1 1 1302 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 2053 1 1 1 1 1 1 1 1 1 1 1 1 2971 1 1 3420 1351 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 620.3524 *622.3544* 622.3544@1.0572939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 622.3544 *623.1233* 623.1233@1.0866492 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 623.1233 *623.7433* 623.7433@0.73890454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 623.7433 *623.8964* 623.8964@5.481345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 623.8964 *626.5579* 626.5579@1.147857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4024 3980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 626.5579 *627.1453* 627.1453@2.0607495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1456 1 1 1 1 1 1 1 1 1 1 627.1453 *628.1442* 628.1442@2.0562515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3637 3494 1 1 1 1 1 1 1 1 1 1 628.1442 *630.157* 630.157@2.0554247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 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 1044 1 1 1 1 1 1 1 1 630.157 *632.2917* 632.2917@1.4043264 1 1 15098 15651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 632.2917 *632.2933* 632.2933@1.5904795 1 1 1 2690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 632.2933 *632.3156* 632.3156@0.9789486 1 1 1 1 1 1 1067 1363 1 1 1041 1111 1865 1972 3403 3304 5789 5328 1 1 2300 2276 1 1 1 1 1353 1708 2088 1678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1745 1936 1 1 1 1 1223 1534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 632.3156 *638.3639* 638.3639@0.9656952 1 1 1 1 1 1 2384 2352 1 1 1355 2135 3419 4047 8699 8768 15722 14880 1 1 4222 3484 1 1 1 1 2525 2822 4644 4996 1 1 1 1 1 1 1 1 1 1 1 1212 1 1 3809 3705 1 1 1 1 2352 1634 1 1 1 1 1 1 1 1 1 1 2128 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 1 638.3639 *639.0836* 639.0836@1.52524 1 1 1 1 1 1 3046 1 1 1 1 3127 1 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 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 2876 1 1 3266 1 1 1 1 1 1 1 1 1 2634 1 1 1 1 1 1 1 1 639.0836 *644.2956* 644.2956@1.0986235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19964 19516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 644.2956 *644.5577* 644.5577@1.1393311 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 644.5577 *646.1234* C26 H31 Cl N2 O13 S 1144 1089 1 1 3414 3466 1 1115 3049 1854 2685 2644 1667 1566 3854 3823 2351 1538 2658 3005 1907 2668 1828 1596 1 1 1 1060 1 1 1 1032 1588 1953 1011 1 1 1 1 1091 1251 1261 1 1 1 1 1 1 1 1941 2712 1582 1428 1408 1375 1195 1 1 1187 1089 1155 1202 1 1 1 1 1 1 1154 1251 1466 1385 1 1 1 1 1 1 1 1 1 1 1146 1171 1 1 1 1 1 1 646.1234 *646.3078* 646.3078@1.406329 1 1 7323 7231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 646.3078 *646.3305* 646.3305@0.97193515 1220 1303 1 1 1 1 2993 3134 1419 1235 3065 3074 4138 4222 7591 7489 9827 9879 1 1 4939 4827 1 1 1874 1245 3713 3273 5150 4930 1 1000 1 1 1 1 1 1 1 1 1989 1599 1 1 4707 4700 1 1 1 1 3252 3289 1 1 1158 1 1 1 1 1 1 1 3156 2395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 646.3305 *646.8184* 646.8184@0.7466544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1198 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 11806 10825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 646.8184 *647.1245* C22 H33 N9 O4 S5 2517 2431 1272 1229 1 1 1 1 2132 2027 1139 1010 1924 2150 3275 3029 2528 2905 1761 1917 2045 1963 2337 2041 2008 1949 1780 1959 2110 1738 1354 1314 1 1 1 1120 1827 1550 1132 1142 1606 1438 1 1 1350 1391 1189 1092 2644 2559 2821 2965 2184 2183 3156 3156 1449 1139 2156 1913 2381 2507 1293 1 1959 2014 1645 1812 1605 1 1903 1956 1 1 1 1328 2168 2807 1555 1554 3164 3135 1326 1120 1420 1388 2184 2362 2015 1880 647.1245 *648.1249* C25 H36 N4 O6 S5 6488 6074 3450 3612 1 1 2855 2821 5436 5153 2546 2903 5746 5594 8238 7781 7794 8004 4730 4582 5062 5217 5997 6266 5340 5058 4742 4818 5195 5350 2977 3105 1 1 2566 2301 3799 3890 3535 3295 3990 3862 1 1 3691 3252 2807 2824 7305 7182 7653 8262 6344 6326 9334 9159 3355 3368 5862 5852 6685 6640 2569 2782 4827 5320 4991 4832 3686 4341 4828 5515 1584 1764 1965 2677 6165 6265 4358 4395 8488 8893 2980 3523 3437 3477 5895 5833 4754 4693 648.1249 *648.2949* 648.2949@2.0507715 1637 1724 1 1 1 1 1 1 1401 1346 1 1 1 1139 2330 2183 1687 1645 1137 1 1 1 1633 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 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 1 648.2949 *652.3447* 652.3447@1.0942415 1 1 1902 2097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2177 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 1992 2283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 652.3447 *652.3754* 652.3754@0.9619386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2777 2712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 652.3754 *654.3048* C30 H50 N6 O4 S3 1898 1 2139 2276 3713 3681 3862 3779 2299 2377 3156 2929 3623 3623 3766 3997 12183 12412 3244 2959 4327 4571 5184 5184 2802 2947 2709 2247 5327 4784 6121 5901 2927 2944 2071 2047 2892 2626 3023 3321 9343 9732 2700 3002 4701 5339 2516 2655 2691 3201 8138 7893 7522 8135 5727 5824 1718 1649 3195 3287 42354 40762 8782 8662 9747 9976 5637 5598 3376 3550 5228 5116 2976 2905 3054 2961 5056 5028 5067 4912 8189 7291 7889 7411 1583 1 5902 5677 6802 6957 654.3048 *654.5877* 654.5877@1.137326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4134 4627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.5877 *656.1523* C32 H20 N10 O7 1 1 1 1 1488 1895 1143 1094 1509 1404 1353 1423 1038 1168 2041 1839 1271 1298 1235 1318 1368 1375 1385 1398 1109 1 1345 1295 1067 1623 1669 1780 2049 1767 1121 1 1036 1 1 1223 1731 1689 1 1 1 1 1183 1 1368 1586 1754 1654 1784 2068 1752 1636 1 1 1409 1117 1345 1472 1425 1355 1217 1053 1 1 1623 1874 1425 1602 1 1 1 1 1 1 1157 1208 1 1157 1630 1647 1 1 1 1 1 1 656.1523 *656.4232* C41 H57 Cl N4 O 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2322 2371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5384 5897 1964 2045 1 1 1243 1 1441 1835 2893 2567 1 1 1 1 1378 1281 1 1 2771 2723 4987 4958 2072 1662 1 1 1 1 7423 6863 1797 1988 5901 6089 1 1 2198 2085 1556 1498 1 1 1 1 1465 1379 1 1 1 1 3847 3668 1 1 1 1 1851 1708 656.4232 *656.993* 656.993@2.038125 3679 2892 3106 2738 2527 1 3148 2498 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 1 656.993 *657.8879* 657.8879@5.711552 1 1 2450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2502 1 1 1 1 1 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 2643 1 1 2242 2698 1 1 1 1 1 2540 1 2140 1 1 1 1 1 1 3427 1 1 1 1 1953 1 1 1 1 657.8879 *657.8886* C22 H11 Cl N2 O12 S4 1 1699 1844 2613 2444 1484 1 1 1 1 1 1494 1 1 1860 2062 4259 1 1 1 1 1894 1 2619 1 4151 2340 1 2548 1983 1757 1 1 2050 2358 1 2316 1 1998 2320 1929 1 1 1 1 1 2158 1863 1848 1756 1 2342 1914 1095 1 2605 4450 1 1 1 2419 2215 4787 2238 2413 1667 1417 2382 2412 1 3041 2310 1 2292 1270 1 2711 2637 1 1 1589 1778 2625 2066 1868 2593 1718 1 2644 2321 657.8886 *657.8899* C19 H6 N4 O17 S3 38173 37428 36360 38917 36406 37867 37844 37930 37321 38265 38374 38471 36471 36744 36253 37781 39684 40370 37891 36614 37681 37764 38174 39297 35397 34151 36759 37311 35399 35660 37554 37258 39560 38814 36289 39689 37075 37706 39812 41187 39081 39737 37969 36225 36277 37147 36112 35546 39646 39263 55305 56245 48013 50091 46370 47271 42649 42787 39345 41010 54922 56563 39435 38231 51681 50538 49191 49333 40673 41653 65604 69115 38904 38355 44578 43643 58343 58893 62475 60698 61509 64019 59107 60211 62825 62543 56355 57852 47035 46619 657.8899 *658.3939* 658.3939@5.4785995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 658.3939 *659.1356* 659.1356@2.3500926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3411 1 1 1 1 1 1 1 1 1 1 1 659.1356 *660.1327* 660.1327@2.3601348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5428 5123 1 1 1 2641 1 1 1 1 1 1 660.1327 *660.3448* 660.3448@0.9660242 1847 1302 1 1 1 1 3650 3653 1634 1392 3306 3435 4731 4934 8725 8309 10727 11073 1 1 5381 5384 1 1 1341 1453 3754 3788 6073 5592 1408 1227 1 1 1 1 1 1 1 1 2151 2229 1 1 5259 5392 1 1 1 1 4232 3746 1 1 1 1302 1 1 1 1 1 1028 3477 3840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1567 1615 1 1 1 1 1147 1 660.3448 *662.3111* 662.3111@2.0500352 1166 1168 1 1 1 1 1 1 1 1125 1 1 1 1 1768 1902 1286 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 1 1 1 1 1 1 1 1 1 1 1 1 662.3111 *666.3406* 666.3406@1.0833431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1852 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 1 666.3406 *666.3968* 666.3968@0.95128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2828 2528 4903 4614 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 1 1 1 1 1 1 1 1 666.3968 *667.0236* C33 H9 N5 O12 13219 11171 4548 3530 4434 4316 5361 8974 5338 8884 3010 5951 4564 3932 4287 8327 8295 7960 6874 3909 6651 3001 5953 2366 4366 3405 2813 2548 4675 1 1 2119 3732 3873 2019 1 3414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 667.0236 *667.024* 667.024@1.0776814 1 1 4173 5325 5084 5336 4298 1 5170 1 1735 1 1 2835 1 1 1 1 1 2674 1 1 1 2840 1 2811 2649 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 1 1 1 1 1 1 667.024 *670.302* 670.302@1.0726883 1 1 1 1 1 1 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 1050 1273 1 1 1 1 1 1 1 1 1545 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 1 1 1 1 1 1 1 1 670.302 *670.4443* 670.4443@1.0670737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2212 1793 1851 2570 1 1 1 1 1 1 1 1 1 1 1315 1722 1 1 2888 1409 1 1 1 1 1 1 1883 1882 1 1 1 1 1 1 1051 1 2893 2309 1 1 1889 1584 1 1 1640 1914 1 1 1 1 1583 1 1 1 1 1 1592 1353 1 1 1 1 1 1 1 1 1 1 1854 2282 1 1 1 1 1 1 670.4443 *671.9047* C28 H4 N2 O15 S2 1883 1627 1760 1811 1733 1705 1803 1791 2037 1777 1802 1935 1545 1577 1877 1793 1915 1816 1868 1708 1858 1738 1762 1757 1615 1476 1937 1641 1701 1459 1624 1947 2142 1686 1733 1714 1571 2030 2066 2113 1777 1856 1618 1685 1636 1530 1553 1628 1609 1685 2736 3022 2629 2415 2199 2172 2025 1922 1817 1718 2874 2572 1717 1683 2921 2262 2452 2378 1768 1784 3579 3983 1773 1800 2231 2050 3285 3110 2875 3433 3263 3274 3280 2871 3236 3331 3071 2965 2381 2411 671.9047 *672.2519* 672.2519@2.0380216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 672.2519 *672.2627* 672.2627@2.0608718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1188 1 1 1 1 1 1 1 672.2627 *672.2709* C37 H41 Cl N4 O6 12417 12526 1 1 13733 14044 6137 8112 14201 14338 9905 10450 7422 6601 13538 9151 12771 11055 16575 17628 12427 14516 14552 11680 12247 12452 10493 10502 11178 13031 14401 15029 19558 20107 12664 13509 15083 14140 16325 17812 10878 7776 13828 13551 5448 5884 9633 10899 15944 15909 13646 14678 17134 17067 12195 15073 11420 12640 21613 19804 18089 17882 2003 1757 13144 14884 5185 5147 15450 11807 22330 22928 13947 13317 12294 12989 12430 12655 6367 7370 16039 15754 17611 20056 14490 15604 12173 10834 13287 16083 672.2709 *672.2716* 672.2716@1.0614794 1 1 1 1 1 1 1564 1 1 1 1 1 1 1794 1 5190 1 5337 1 1 2399 1 1 2517 1 1 1 1 3786 1 1 1 1 1 2878 3389 1 1 1 1 1 3492 1 1 1 1 1 1 1 1 6865 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 2167 1 672.2716 *672.4136* 672.4136@1.0396367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3719 5513 1 1498 1 1 1 1 1 1 1 1198 9549 8301 1 1 1443 3229 1438 1 1 1 1 1 1 1 1 1 1 1 3096 3753 1 1 1 1 1 1 672.4136 *672.4171* 672.4171@1.0354763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3687 3711 1 1 1 1 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 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 1 672.4171 *673.2758* 673.2758@1.0604258 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 673.2758 *673.8643* 673.8643@5.525855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1011 1047 1 1 1 1 1 1 1 1 1 1 1 1 1145 1 1 1 1 1499 1350 1 1 1 1 1 1136 1108 1264 1404 1246 1 1110 1310 1277 1 1105 1 1 673.8643 *674.2716* 674.2716@1.0556198 1 1 1 1 1344 1284 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 1387 1204 1 1 1 1 1 1219 1 1 1 1 1 1 1 1018 1 1 1382 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 1 1 1 1 674.2716 *674.3609* 674.3609@0.9592264 1 1 1 1 1 1 2601 2670 1169 1 2553 2168 3918 3294 6662 6050 7978 8160 1 1 3173 3739 1 1 1 1 2791 2571 3696 4124 1 1 1 1 1 1 1 1 1 1 1270 1218 1 1 3773 3324 1 1 1 1 2883 2852 1 1 1 1 1 1 1 1 1 1 2511 2865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 674.3609 *674.3971* 674.3971@1.060353 1 1 1 1 1 1156 1 1460 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 674.3971 *674.3985* 674.3985@1.0558978 1 1 1 1 1018 1 1023 1 1 1 1 1301 1 1 1 1 1190 1106 1 1 1 1 1 1 1 1 5183 7035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5877 1 1 1 1 1 1080 2582 1759 4250 1 1 1 1 1 1 1336 1 1319 1 1 1 1 1 1 1 1 1 1 1 1174 1189 1 1 1 1 1 1 674.3985 *675.2745* 675.2745@0.997442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1899 1 1 1 1 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 675.2745 *676.4161* 676.4161@1.0552584 1 1 1 1 1 1 1286 1 1 1 1227 2369 1 1 1 1 3185 1313 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 3483 1 1 1 1 2013 1 2685 1 1 1 1 1 1 1 4605 4173 1106 1 1 1 1 1 1 1 1 1 1 1 1072 2366 1 1 1 1 1 1 676.4161 *678.1459* 678.1459@1.1906312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 678.1459 *678.4221* 678.4221@1.0547061 1 1 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 1242 1 1 1298 1452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.4221 *682.3004* C23 H38 N16 O9 102833 102768 66916 67206 112872 116047 96120 95562 114469 114647 90044 88336 101914 103514 115687 115240 135553 137421 121765 122435 119227 119349 116611 118514 106257 106508 101380 100261 129625 129947 127669 131066 113926 113359 102308 103098 102681 105678 122833 123278 119842 119240 115629 115096 100822 100844 113953 114523 127250 128620 150026 150075 142937 142533 112229 109565 94782 95826 111266 110702 174488 171892 89887 87729 124800 125153 85320 84530 127352 124040 133674 130280 106780 107091 113240 113091 121516 121660 109138 108009 120010 121937 131764 133051 107265 105759 114786 115521 123595 124125 682.3004 *685.9183* C28 H2 N2 O20 1565 1916 1193 1091 1412 1478 1144 1 1232 1 1081 1 1237 1163 1277 1141 1 1 1 1 1 1 1 1 1 1139 1030 1 1 1 1 1 1777 1853 2152 2320 1400 1348 1021 1 1 1 1532 1102 1 1 1009 1 1115 1277 2633 3115 2083 2233 1502 1671 1860 2016 1197 1450 1110 1 1013 1 1994 1939 1 1 1 1 1 1 1522 1538 1 1224 1 1 1 1 1518 1370 1 1 1 1093 1 1 1 1 685.9183 *688.3759* 688.3759@0.9485668 1 1 1 1 1 1 1 1 1 1 1 1 1016 1225 2610 2852 3676 3693 1 1 1170 1 1 1 1 1 1 1 1 1819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1474 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 1 688.3759 *688.4098* 688.4098@1.039833 1 1 1 1 1 1 1 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 1311 1 1 1 1 1 1 3365 3548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 688.4098 *691.8842* C21 H12 N2 O15 S5 2863 3002 2384 2657 2684 2669 2699 2883 2889 2660 2601 2853 3045 2893 3133 2715 2745 3358 2766 2811 2599 2690 2960 2993 2620 2686 3072 2809 2671 2590 3102 3070 3049 2759 2592 2792 2738 2574 2869 2566 2828 3267 2910 2656 2916 2968 2681 2676 3106 3227 4967 4403 3948 3862 3635 3616 3265 3349 3050 2995 4421 4359 2964 3213 4099 3945 3781 3866 3246 3225 5709 5277 2905 2969 3505 3469 4891 5060 5408 5134 4893 5388 4924 4685 4944 5730 4615 4557 3629 4000 691.8842 *692.3843* 692.3843@5.4829173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1128 1 1 1 1 1 1 1 1 1077 1 1 1 1 1 1 1 1 1 1313 1185 1 1 1 1 1366 1150 1 1 1075 1149 1231 1 1074 1317 1 1 1 1 692.3843 *692.9797* 692.9797@2.3802066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692.9797 *692.9798* 692.9798@10.134723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3244 1 1 1 1 1 1 1 1 1 692.9798 *692.9799* 692.9799@6.657653 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692.9799 *692.9799* 692.9799@2.883966 1 1 1 1 1 1 1 1 1 1 5595 1 1 1 1 1 1 1 9403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11111 1 1 1 1 692.9799 *692.9801* 692.9801@1.8607285 1 1 1 1 1 1 1 7531 1 1 1 1 1 1 1 1 5079 1 4064 1 6331 1 1 1 1 1 1 1 1 1 1 1 1 6136 1 1 1 1 4383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4868 1 4852 1 1 1 1 1 1 1 11117 1 1 1 9664 692.9801 *692.9802* 692.9802@0.655815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7576 1 1 1 1 11806 1 1 1 1 7992 1 1 15121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26442 1 1 1 1 692.9802 *692.9802* 692.9802@0.7494187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692.9802 *692.9802* 692.9802@1.9467854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 692.9802 *692.9802* 692.9802@9.4764805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692.9802 *692.9804* 692.9804@0.97505224 10643 1 1 1 1 1 1 1 1 1 1 1 1 3865 2533 1 11204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4335 1 1 1 1 1 10682 1 1 1 1 1 1 1 1 1 10695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692.9804 *692.9805* 692.9805@1.3252404 1 1 1 1 1 1 1 1 1 1 1 1 1 4150 4038 1 1 10755 1 7217 8406 1 1 1 9644 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 6028 1 1 1 1 1 1 1 1 1 10489 1 1 1 7078 1 1 5460 1 1 7592 1 1 1 1 1 1 1 1 5395 1 7654 1 1 1 1 1 692.9805 *692.9807* 692.9807@0.7594529 1 1 1 1 1 1 1 1 1 1 1 1 13596 6168 3596 1 4645 4816 1 1 16042 1 1 1 1 1 1 1 1 1 16719 6964 14393 1 1 1 1 1 6382 1 1 1 1 1 1 1 1 1 7263 13030 5398 1 1 9909 1 1 1 1 1 1 1 1 19773 1 17099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5564 10880 1 1 1 1 8420 692.9807 *692.9807* 692.9807@1.1651131 1 1 1 1 1 1 1 1 1 1 1 1 1 3566 1 1 1 1 1 5447 1 1 1 1 1 1 1 1 1 1 1 1 4118 1 1 1 1 1 2914 1 1 1 1 1 1 1 1 1 1 15225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8345 1 1 1 1 1 8574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692.9807 *692.9807* 692.9807@1.4708571 1 1 1 1 1 1 1 1 1 1 1 1 1 4742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692.9807 *692.9808* 692.9808@13.071255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 692.9808 *692.9809* 692.9809@3.011128 11103 1 1 5537 3405 1 1 1 1 1 8433 1 1 1 1 1 6397 3814 6559 4352 1 1 1 9472 1 1 1 1 1 1 1 4803 1 1 1 1 1 1 6034 8334 1 1 1 1 1 1 1 1 1 1 1 1 10421 7411 1 14631 5967 6907 12383 1 1 1 1 1 1 6878 1 1 1 1 1 7845 4297 1 11879 7350 1 1 1 1 1 1 6191 1 1 7877 1 10339 1 7815 692.9809 *692.9809* 692.9809@8.697739 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692.9809 *693.98* 693.98@0.76741266 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 693.98 *696.2864* 696.2864@1.0472484 1 1 1 1 1 1 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 1429 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 1 696.2864 *696.3702* 696.3702@1.1347142 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 1781 1706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 696.3702 *698.2881* 698.2881@1.0502882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 2287 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 1 698.2881 *698.4739* 698.4739@1.0633241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 698.4739 *699.2891* 699.2891@0.9886403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1160 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 1409 1 1 1 1 1 1 1 1 1491 1562 1 1 1 1 1 1 4600 4535 1 1 1 1 1 1 1 1 1 1 699.2891 *702.354* 702.354@0.70699644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1424 1 1 1 1 1 1 1529 1987 1867 1519 1430 1496 1 1 1 1 1 1072 1 1 1 1 1 1 1 1 1 1 1 1 1096 1 1 1 702.354 *706.9951* 706.9951@1.840898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 706.9951 *706.9953* 706.9953@1.0001532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10783 1 1 3385 1 2281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8808 1 1 6130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9385 1 1 4273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8207 1 1 706.9953 *706.9954* 706.9954@0.7473888 1 1 1 1 1 5434 1 1 1 1 1 1 1 1 8649 1 1 3634 1 1 1 1 1 1 1 1 1 1 1 1 5902 1 1 1 1 1 1 1 5054 1 1 1 1 1 1 1 1 1 1 7348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7446 1 1 1 1 1 1 1 1 3941 1 1 1 1 1 1 1 1 1 1 1 1 1 4266 1 1 706.9954 *706.9955* 706.9955@2.836928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4743 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 1 706.9955 *706.9956* 706.9956@1.0687991 13371 1 1 1 1 1 1 1 1 1 1 1 1 3694 1 1 1 1 1 7330 1 1 1 1 1 1 1 1 1 1 1 7079 1 1 1 1 1 1 5486 1 1 1 1 1 1 1 1 1 6787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6360 1 1 1 1 8348 1 1 1 1 1 1 1 1 1 1 1 9958 1 1 1 1 6385 8986 7224 1 1 706.9956 *706.9956* 706.9956@1.3430736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5396 1 1 1 1 1 1 1 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 3998 1 1 1 1 3980 1 1 1 1 1 1 1 1 6992 1 1 1 1 1 4705 1 1 1 1 1 1 1 1 1 1 1 5814 1 6611 1 1 706.9956 *706.9956* 706.9956@3.0531082 1 5302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2376 3685 1 1 1 1 5292 1 1 1 1 1 1 8494 1 1 3152 1 1 1 1 1 2680 1 1 1 1 1 1 1 1 1 1 1 1 1 4489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2343 3538 3136 1 1 1 1 1 1 1 1 1 1 3182 1 1 1 5486 4691 1 706.9956 *706.9957* 706.9957@0.85780793 3864 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 706.9957 *706.9961* 706.9961@0.64906764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3853 1 1 1 1 1 1 1 1 1 4683 1 1 1 13639 1 7873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 706.9961 *706.9962* 706.9962@1.1417183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3139 1 1 1 1 1 1 1 3823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7275 1 1 706.9962 *706.9962* 706.9962@3.695599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 706.9962 *706.9969* 706.9969@1.6627823 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 4072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 706.9969 *706.999* 706.999@2.3912125 1 1 1 1 2559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 706.999 *712.265* 712.265@1.1978155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 712.265 *714.3156* 714.3156@1.0351436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2407 1 1 1875 1930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 714.3156 *716.2204* C20 H38 Cl2 N16 O7 S 80154 80997 65663 66926 80787 83242 77051 74935 82324 82802 84351 82071 70802 70857 68300 69763 112196 113243 86942 86178 74277 73756 76267 79082 77638 77668 76516 75064 87296 90272 85799 88545 94569 95915 79366 77655 87216 89530 106722 105957 100244 97899 80644 80237 88821 90275 90047 90605 103430 106785 123671 122081 129377 132251 119880 119775 110121 110796 78485 79645 138707 140928 98782 100004 115012 111619 106661 104869 124306 120910 154531 152006 109339 109392 99989 101211 116387 114112 96108 96434 111705 112716 124226 124977 106415 104433 111577 112476 91184 90005 716.2204 *722.2141* 722.2141@1.5168505 1348 1 1 1 1 1 3056 2459 1 1991 1 1 2284 1 1 2121 2839 2529 1698 1 2220 2561 1 1 1 1 1 1 1 1 1 1 1 2250 2052 1 1 1 1 1 2896 2685 1 1 1 1 2288 1 2577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 722.2141 *722.4045* 722.4045@0.9374154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5597 5788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 722.4045 *724.1803* 724.1803@1.4109235 1 1 1 1 1 1 1 1 1 1 2029 1836 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 724.1803 *725.8769* C21 H10 O23 S3 28036 27887 25622 27690 26435 26489 25371 27600 27224 26448 26906 28105 25140 26894 25212 27408 29017 29493 26904 25872 26476 25382 28210 28837 25309 25995 26653 26863 22825 25020 26908 26219 28026 26692 26274 26425 26173 26932 28871 28940 27448 27761 26720 25459 24940 26990 26250 25749 26673 26620 41099 40791 35976 34686 32509 33251 29650 30223 26794 27812 40013 40195 27878 26978 35971 36552 34815 34598 28887 29720 48235 48604 26711 26396 30990 31531 42205 42169 45437 45516 44259 44926 42886 42895 45979 45706 40813 42425 34331 34478 725.8769 *726.3831* C33 H62 N2 O11 S2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1119 1 1 1 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1073 1179 1 1 1 1020 1 1 1 1 1 1654 1407 1 1140 1225 1170 1 1049 1 1 1443 1407 1 1 1268 1354 1229 1149 1 1 1526 1885 1 1 1 1 1281 1582 1570 1666 1736 1365 1646 1453 1592 1632 1524 1305 1270 1343 726.3831 *736.2287* 736.2287@1.517395 1 1 1 1 1 1 2714 2490 1 1 1 1 1 1 1 1 1787 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 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 1 736.2287 *736.3508* C33 H58 Cl2 N6 O6 S 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3929 4264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9678 11140 4801 5350 1 1 1 1019 4421 4442 5988 6183 1 1 1 1 1 1 1207 1205 5810 6543 8229 9218 6474 5052 1 1 1 1 13409 13434 6017 5594 11033 10800 1 1 4358 4871 5559 5550 1 1 1 1 4634 4568 1 1 2832 3048 8932 8505 1 1 1 1 3688 3602 736.3508 *737.0193* 737.0193@0.8411762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2495 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 1 1 1 5569 5695 1 1 1 1 1 1 1 1 1420 1527 1 1 1 1 1 1 1 1 1 1 3984 3853 737.0193 *738.3479* 738.3479@1.0192206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1078 1091 1091 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 1478 1181 1442 1254 1 1 1 1 1 1 1 1 1338 1 1 1 1 1 1 1 1 1160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 738.3479 *739.3531* 739.3531@1.0161995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 739.3531 *739.8924* C48 H4 S5 1218 1000 1190 1176 1291 1255 1076 1112 1117 1214 1154 1101 1262 1254 1060 1235 1379 1208 1217 1242 1 1 1329 1239 1206 1111 1 1139 1044 1142 1141 1122 1300 1186 1279 1261 1169 1440 1474 1457 1067 1206 1318 1192 1032 1095 1271 1045 1380 1323 2187 1 1683 1914 1639 1498 1167 1271 1339 1187 1903 1875 1166 1185 1508 1858 1651 1775 1319 1508 2692 2572 1167 1230 1436 1436 2415 2231 2274 2367 2037 2484 2102 2394 2385 2261 2299 2251 1621 1564 739.8924 *740.3949* 740.3949@1.163486 1 1 1 1834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 740.3949 *740.4446* 740.4446@2.107346 1 1 24715 25388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7846 7063 1 1 1 1 16658 14242 1 1 1 1 1 1 1 1 1 1634 1 1 11231 10927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4323 3882 1 1 1 1 17480 16837 2557 7482 1 1 1 1 10624 6257 1 1 1 1 1 1 1 1 1 1 1 1 740.4446 *752.3455* 752.3455@1.02611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1574 4497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9153 9182 4361 4292 1 1 1 1 1 3137 4929 5047 1 1 1 1 1 1 1 1 5735 5733 9402 9976 6249 5160 1 1 1034 1 15189 14856 5736 5833 9753 10178 2315 1 4432 1463 5914 5176 1 1 1 1 4347 4744 1 1 1 1 8689 8937 1 1 1 1 1317 1 752.3455 *754.3442* 754.3442@1.0274241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1760 1 1 1 1161 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 1 1 1 1273 1 2183 1 1 1 1 1 1 1 1 1 1 1478 1 1 1 1 1 1 1 1545 1 754.3442 *755.3486* 755.3486@1.0202602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 755.3486 *756.9875* 756.9875@2.0379493 1 1 1 1 1 1 1 1 1 1 1869 1 2487 1 1 1 1 1 1 1 1 2653 1 1 1 1 1 1 3256 1 1 1 1 1 1 1 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 3742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3625 1 756.9875 *759.8711* MERBROMIN 3537 3887 3522 3655 3890 3766 3983 3811 4081 3921 3903 3940 3464 3566 3628 4447 4633 4250 3729 3644 3787 3533 4035 3962 3742 3601 3715 3908 3525 3681 3673 3650 4007 3951 3711 3712 3481 3618 3963 4319 3827 4038 3628 3693 3410 4089 3802 3910 3661 4016 6294 6515 4567 5109 4430 4783 4165 4138 3948 4166 6120 5875 3739 3904 5615 5060 5330 4944 3810 3873 7059 7856 3709 3891 4507 4223 6856 6737 6460 6811 7133 6764 6790 6547 7032 7173 6572 6029 4631 4891 759.8711 *760.0952* 760.0952@0.83924764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2238 2576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2894 2991 760.0952 *760.3748* 760.3748@5.484774 1 1 1 1 1 1 1 1 1132 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 1260 1378 1533 1132 1 1 1148 1 1065 1031 1410 1473 1 1006 1140 1391 1094 1 1 1 1783 1762 1 1 1 1117 1288 1491 1 1142 1554 1665 1352 1331 1472 1775 1403 1517 1216 1165 760.3748 *767.0155* 767.0155@1.073819 1 2120 3110 1 2493 3054 2934 2011 1 1 2905 1 2082 4214 2476 4022 1 1 1 3596 1 1 1 1 1 1 1 1 1 1 1 1 5752 3632 1 1 1903 1 2489 2004 1 2770 1 1698 1 1 4015 1 1 2623 1 1 1 3673 1 1 1 1 1 1 4691 1 1 1 1200 1 3642 1 1 1 2917 4560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 767.0155 *767.0167* 767.0167@1.0056409 1 2461 2303 2050 3297 1 1 1 1 1 3129 6848 2889 2004 3209 1 1 2830 1 1288 3018 1 1 2479 6646 1 5234 1 1 1 1 1 1 1 1 1 1 1 5036 1 1 2372 1 1 1 2628 1 2737 1 1 1 1 6850 1336 1 2218 6309 2994 1 6542 2381 1 2064 3142 2218 5427 1 6253 5067 5623 3217 1 1 6141 1 6056 3559 1 2828 1 6540 5994 1 6865 1 1 2034 1 5326 1 767.0167 *768.3405* 768.3405@1.0345949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2088 6062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3922 1455 1 1 1 1 1 1 8022 5480 1 1 1 5476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5322 5565 1 1 1 1 1 1 768.3405 *770.3471* 770.3471@1.0400351 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 1907 1 1 1 1 1 1 1 1 1 2826 2981 1 1 1 1 1 1 1 1 2503 3441 1 3191 1 2836 1 1 1 1 1 1 1 1 4496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 770.3471 *771.3462* 771.3462@1.0360248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 771.3462 *783.1704* 783.1704@0.83841395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2915 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 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 4947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1719 1822 783.1704 *784.0056* 784.0056@0.9210249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2509 1 1 1 1 1 1 1 1 1 1 784.0056 *784.4219* 784.4219@1.1864163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 784.4219 *784.4647* 784.4647@2.096756 1 1 1 7234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 784.4647 *784.4694* 784.4694@2.4513147 1 1 7757 9124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4914 1 1 1 1 1 1 1 1 1 1 1 1 1 3046 2967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 784.4694 *784.4703* 784.4703@2.2601385 1 1 4125 4688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 784.4703 *793.8642* 793.8642@5.4851937 18594 18821 18793 17940 17693 17201 18806 17526 18684 19183 19326 19596 18696 18002 18134 18935 20160 20251 18793 18457 17971 17982 18059 19848 18057 18030 17535 18506 16046 17361 18834 18728 19505 19048 17889 18226 17576 17853 19232 19304 18576 18385 18144 17870 18405 18093 17920 18217 18945 18461 27417 27852 24351 23987 22243 23055 20654 20360 19208 19948 26224 26630 19181 18443 24999 24161 24479 24891 19000 19837 33059 34111 18562 18160 21876 21253 29322 29473 31134 31746 31131 29916 28243 29287 32234 30555 27773 28823 22356 22980 793.8642 *794.368* 794.368@5.485962 1122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1158 1126 1 1 1 1020 1 1 1 1 1 1 1042 1047 1000 1 1084 1 1 1 1 1 1 1106 1 1 1 1 1 1 1 1 1 1 1553 1459 1312 1463 1102 1402 1 1 1 1175 1495 1539 1 1 1083 1332 1334 1 1328 1127 2063 1799 1 1109 1042 1 1578 1577 1683 1711 1744 1752 1619 1655 1665 1615 1359 1568 1215 1260 794.368 *798.0982* 798.0982@1.5159166 2579 2789 6707 5884 5375 5246 11929 13089 4398 4529 11706 12679 6646 6492 7523 6463 6897 7111 7245 9600 9803 9858 2719 3294 2937 3142 6107 5755 3671 4210 7414 7306 10619 10368 5540 5748 7986 8627 5042 5002 6792 6687 6069 7309 1 1705 8173 7994 10715 14972 10971 9883 9822 9445 4713 4269 2796 2990 3360 3670 20476 21425 11213 9208 14631 14313 10490 11386 11528 12059 14913 15772 11950 11579 8895 9487 15197 13778 7234 6519 11984 12823 15613 15577 18980 18549 15094 15931 8048 8442 798.0982 *800.116* 800.116@1.5134284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 800.116 *800.1328* 800.1328@2.0004563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 800.1328 *800.1334* 800.1334@1.9839913 1 4130 1588 1 1 1936 1 1 1 2100 1 1 1 1 1 1 3777 1 1 3307 2307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3765 1 1 1 3792 1 3406 1 1 1 2780 1 3415 1 1 1 1 1 1 1 1 1 1 4261 3581 1 1 2495 3090 1 1560 1 1 3506 1 1 1 1 1687 2334 1 1926 1335 1 2015 1 1 1 1 2884 1 1 2342 1 800.1334 *800.1334* 800.1334@1.2800708 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 800.1334 *802.0349* 802.0349@1.4075918 1 1 1 1174 1 1 1915 2626 1 1 3601 3822 1 1 1 1 1 1 1875 1760 1 1 1 1 1 1 1 1 1 1 1 1 3728 4067 1 1 1493 1 1 1 1 1 1 1 1 1 1344 1517 2896 4858 2105 2143 1820 1952 1 1 1 1 1 1 9693 9629 1838 1 5028 5115 1584 2107 3143 3893 5911 5592 2957 2897 1383 1 6561 6056 1 1 3739 3755 5471 6059 9962 10105 6592 7054 1 1 802.0349 *805.58* 805.58@5.1130037 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 1603 1 1 1 1 1 1203 1 1568 1624 1 1 1 1 1 1 1 1 1 1811 2023 1 1 1 1 1 1 3271 2830 1 1 1 1 2083 1758 1 1 1 1 2514 2015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2028 1 1 1 805.58 *806.9892* 806.9892@12.413189 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9892 *806.9893* 806.9893@11.23811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9773 1 1 1 1 1 14301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9893 *806.9894* 806.9894@9.427376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9594 1 806.9894 *806.9894* 806.9894@8.682705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12886 1 1 1 1 1 1 1 1 1 1 1 1 1 12642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9894 *806.9894* 806.9894@6.9141264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9894 *806.9895* 806.9895@10.036652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23381 1 1 1 1 1 1 1 1 1 1 1 1 1 12740 16197 1 1 1 1 1 1 1 12615 1 1 1 1 1 1 1 11637 1 1 1 1 1 1 1 1 16980 1 1 1 1 1 1 1 1 1 1 1 1 1 15775 1 1 1 1 1 1 1 1 1 14435 1 1 1 1 1 1 1 1 1 806.9895 *806.9899* 806.9899@1.0883033 25620 1 1 106864 1 1 1 1 1 1 1 1 99869 15522 1 1 59304 1 27226 88066 1 1 1 64114 1 1 1 57428 1 1 1 1 76514 1 1 1 1 1 106953 1 1 1 1 1 1 1 1 1 61084 1 50248 31347 1 74394 1 36459 1 1 1 1 33383 1 1 1 1 1 74640 1 1 1 1 1 58069 1 1 97015 1 1 1 1 1 1 1 1 1 1 1 117705 1 1 806.9899 *806.99* 806.99@1.8863106 1 1 1 1 1 1 1 1 1 1 1 1 1 17444 1 1 1 1 1 43626 1 1 1 1 1 1 1 1 1 1 1 1 1 32324 1 1 1 1 26614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23751 1 1 1 1 1 27428 1 1 1 1 66008 23907 1 1 1 1 1 1 1 1 79638 1 31384 1 1 806.99 *806.99* 806.99@0.845739 1 1 1 1 1 1 1 1 1 1 1 1 1 23534 18371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.99 *806.99* 806.99@2.3550596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20571 1 1 1 1 19540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24395 1 1 1 1 17771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.99 *806.99* 806.99@1.108593 1 1 1 1 1 1 1 1 1 1 1 1 1 36013 1 1 1 1 1 24334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.99 *806.9901* 806.9901@0.68530834 35633 1 1 1 1 1 1 1 1 1 1 1 94785 1 26309 1 30750 1 1 58500 66865 1 1 89466 1 1 1 43510 1 1 1 1 65129 1 1 1 111746 1 1 1 1 1 1 36507 1 1 1 1 59877 1 1 1 1 1 1 62737 1 1 1 1 1 85632 1 1 49597 1 1 1 1 1 1 1 58409 1 1 65930 1 1 1 1 1 77746 1 18103 1 1 1 48062 1 1 806.9901 *806.9901* 806.9901@1.291664 1 1 1 1 1 1 1 1 1 1 1 1 1 30347 1 1 1 1 1 48098 41781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17979 1 1 38808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40702 1 1 1 1 1 44020 1 23631 1 1 1 1 1 1 1 1 1 1 1 43693 1 1 806.9901 *806.9901* 806.9901@2.9232056 1 90361 1 1 1 43044 1 1 1 1 1 1 1 1 37262 54568 23446 1 34482 1 1 1 1 33104 1 1 1 1 1 27542 63317 1 21868 24261 1 1 1 1 30930 1 1 1 1 1 1 1 76696 1 1 1 1 1 50621 26192 24079 55166 1 45072 1 1 1 1 1 1 1 1 1 33818 1 1 1 1 1 1 50463 45969 1 1 27797 1 1 69697 1 1 1 1 1 37422 1 1 806.9901 *806.9901* 806.9901@3.0294707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17262 41932 1 1 1 1 1 1 1 1 1 1 1 1 1 32982 1 1 1 1 1 1 1 1 1 1 1 25538 1 1 1 1 1 40385 1 1 1 21063 1 1 1 1 1 1 1 1 1 1 1 28090 1 1 806.9901 *806.9902* 806.9902@1.498836 22024 1 1 1 50005 1 1 1 1 1 1 1 1 48923 1 1 1 1 1 32057 1 1 1 1 1 1 1 1 29250 1 1 1 1 1 1 1 1 1 25968 1 1 1 1 1 1 1 26528 1 1 1 53964 1 1 10644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15881 1 1 1 1 1 66448 42992 1 1 1 1 1 52227 1 1 1 1 806.9902 *806.9902* 806.9902@0.7258678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74699 1 26161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9902 *806.9903* 806.9903@0.809605 74904 1 1 1 1 1 1 1 1 1 1 1 1 21971 17755 1 26971 30076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43971 1 1 1 1 1 1 48790 24514 1 1 1 1 50291 1 1 1 1 1 1 1 1 1 1 1 51802 1 1 806.9903 *806.9903* 806.9903@3.133345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29688 1 1 1 1 1 1 1 1 1 44264 1 1 1 1 1 1 1 1 1 1 1 23926 1 1 43645 1 1 1 1 1 22019 31075 1 1 46533 1 49494 1 1 806.9903 *806.9903* 806.9903@1.3965998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9903 *806.9905* 806.9905@3.497542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26303 1 1 1 28201 1 1 806.9905 *807.8809* 807.8809@5.481656 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 1237 1 1 1 1 1 1 1 1 1 1292 1 1 1 1048 1 1 1 1 1 1567 1 1 1 1 1 1372 1403 1361 1 1575 1 1 1 1454 1 1 1 1 1 807.8809 *807.9901* 807.9901@5.430276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 807.9901 *807.9912* 807.9912@1.6831506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 807.9912 *807.9919* 807.9919@0.7891109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3281 1 1 1 1 1 1 1 7058 1 1 1 1 1 1 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 11777 1 1 1 1 1 1 1 1 1 1 1 1 6392 1 1 1 1 1 5770 1 1 1 807.9919 *807.9928* 807.9928@1.1234764 1 1 9736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 807.9928 *807.993* 807.993@2.8706968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 807.993 *807.9933* 807.9933@2.9777195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7230 1 1 1 1 1 1 1 1 1 1 1 1 4672 1 5868 1 1 1 1 1 1 807.9933 *819.4896* 819.4896@0.9752134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 819.4896 *823.3702* 823.3702@0.9971055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 823.3702 *827.858* 827.858@5.4862475 3208 3541 3070 3643 3419 3497 3564 3686 3869 3493 3423 3478 3582 3709 2983 3594 3446 3535 3660 3349 3552 3781 3158 4085 3267 3291 3942 3212 3535 3555 3380 3451 3562 3697 3208 3673 3327 3887 3909 3642 3468 3820 3944 3531 3389 3607 3154 3211 3751 3473 5412 5829 4462 4761 4198 4076 3871 4144 4177 3761 5194 5773 3632 3709 5133 4970 4624 4594 3645 3461 6795 7017 3673 3245 4034 4129 5897 5214 6530 6382 6494 6627 5963 5998 6791 6442 6227 5990 4114 4126 827.858 *828.3577* 828.3577@5.4846234 1 1 1 1 1 1 1 1 1117 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 1376 1478 1139 1230 1 1023 1 1 1 1 1293 1492 1036 1 1342 1085 1333 1157 1 1 1516 1814 1 1 1019 1 1494 1707 1344 1528 1605 1582 1634 1323 1822 1587 1575 1485 1 1 828.3577 *828.4884* 828.4884@2.1093042 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 828.4884 *828.4946* 828.4946@2.2407513 1 1 18278 10695 1 1 1 1 1 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 24698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 828.4946 *828.4952* 828.4952@2.1923392 1 1 12258 20669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11827 8764 1 1 1 1 30049 24206 1 2872 1 1 1 1 1 1 7730 1 1 1 21211 17079 1 1 1 1 1 1 1 5401 1 1 1 1 1 1 1 1 9258 8851 4224 1 1 1 8461 33486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 828.4952 *828.4967* 828.4967@2.8313947 1 1 2193 3321 1 1 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 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 1 828.4967 *829.4966* 829.4966@2.1525009 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 829.4966 *830.4943* 830.4943@2.1732874 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 830.4943 *856.4826* 856.4826@5.5072856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1583 1 1 1 1 1544 1410 1 1 1 1 1 1 1 1 1 1 1 1 856.4826 *856.9798* 856.9798@2.4757326 2765 1 1 1 1 1 1 1 1 1 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 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 1 856.9798 *856.9799* 856.9799@3.355558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 856.9799 *856.9806* 856.9806@2.8602967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 4464 1 1 1 856.9806 *856.9807* 856.9807@1.6516136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7975 3387 1 1 1 1 1 1 1 1849 1 1 856.9807 *856.981* 856.981@2.0290656 12770 1 1 12882 9950 1 1 1 1 1 10818 1 1 1 1 8594 12009 1 14995 9539 13599 1 15130 15000 18463 10792 1 1 16716 14439 1 9823 14431 15954 17561 1 1 1 1 1 7634 1 13220 1 1 1 1 1 1 1 1 10308 8273 4511 1 6816 1 13634 1 9434 1 1 1 1 2219 11835 1 1 1 1 16791 11226 14864 1 19348 2325 15459 6543 12071 1 10545 1 15640 14505 1 18244 1 5422 5432 15999 856.981 *856.9811* 856.9811@1.1923383 1 1 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 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 1060 2115 1 1 1 1 1 1 2076 3271 856.9811 *856.9818* 856.9818@2.0543275 1 8756 13041 1 1 9002 1 14022 1 11467 1 11014 1 14136 6715 1 1 1 1 1 2049 8125 1 1 1 1 16556 10316 1 1 14171 1 2789 1 1 18366 8382 1 14000 14056 1 16332 1 14848 11139 14549 12393 12354 7160 13891 1 1 1 2833 7762 1 12891 1 14592 1 10896 11926 12721 1 14834 1 14987 14806 9925 10138 1 1 1 8126 1 12363 1 6063 1 1 1 1 1 1 12642 1 12193 9665 13488 1 856.9818 *856.9823* 856.9823@2.8777916 1 1 1 1 1826 1 1 1 1 1 1 1 3066 1 1 1 1 3594 1 1 1 1 1 1 1 1 1532 1 1 1 1 1 1203 1 1 1 1 1 1 1 1 1 1 1 1 2586 1 1 1329 1 5917 7570 1 3543 1 5043 1967 4220 1 1 1 1 1 1 2862 1 4707 4108 1 4006 1 5204 2798 4270 1 5882 7062 1 1 1 4640 6109 2252 5234 6056 5230 6155 6976 2338 1 856.9823 *856.9827* 856.9827@1.9688861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12682 1 1 1 1 1 1 1 1 1 1 1 1 1 1987 1 1 1 1 2327 1 1 1 1 1 1 1 1 1 1 2399 1 1 1 4499 1 1 856.9827 *858.9799* 858.9799@2.0317073 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 1107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2492 1 1 1 1 1 1 1 1 2967 1 1 1 1 1 1 1 1 1 1 858.9799 *861.8514* 861.8514@5.4852066 12068 12013 12461 12802 11411 11737 12546 12135 12423 11787 11888 12883 12569 12147 12243 12893 12984 12931 12387 12588 11980 12993 12176 12169 12454 11717 11955 11993 10872 12001 12126 12436 12732 12487 11961 12763 11458 12450 13000 13005 12709 12479 11855 11901 11837 11869 12297 11673 11811 12407 19375 18565 15962 16180 15073 14886 13439 13037 12620 12855 17941 17738 12898 12023 15184 15809 16485 16021 12641 13617 22565 22476 12352 11945 14934 13865 19258 19687 20784 20185 19802 20859 19050 18867 20097 20408 18509 19019 14127 15122 861.8514 *862.3554* 862.3554@5.484013 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 1235 1524 1 1166 1028 1 1 1 1 1 1371 1 1 1 1290 1191 1181 1042 1 1 1668 1900 1 1 1047 1 1378 1466 1818 1503 1315 1563 1281 1273 1571 1455 1091 1292 1010 1254 862.3554 *865.4381* 865.4381@0.9858365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 865.4381 *867.0094* 867.0094@0.81408924 1 1 1 1 1 1 1 8396 1 1 1 1 1 1 2647 1 1 1 1 5641 4178 1 1 1 1 1 1 1 1 1 14685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10959 1 1 1 1 1 1 1 1 1 1 1 4566 1 1 1 1 1 1 1 1 867.0094 *867.0097* 867.0097@0.9613874 1 1 16538 12068 1 1 12588 19396 19442 1 1 1 1 1 3442 1 22625 1 1 1 14288 11478 1 20956 1 1 1 1 1 1 1 1 1 1 16750 1 1 1 1 1 1 1 1 4850 1 1 1 1 1 1 1 1 1 5273 1 20038 1 1 1 1 1 7777 1 1 1 1 1 1 1 1 6947 1 8871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 867.0097 *867.0097* 867.0097@1.4189439 6174 1 1 2175 1 1 1 1 1 10021 1 1 1 1 3443 5446 1 1 1 1 1 4627 1 1 1 1 1 1 1 1 1 1 9199 1 1 1 1 1 7447 1 1 1 1 1 1 1 1 1 8613 1 3958 1 1 1 1 1 1 1 1 1 1 1 1 1 9734 1 13298 1 1 1 1 1 1 1 6933 5205 1 2513 1 1 1 12177 1 1 1 1 1 1 1 1 867.0097 *867.0098* 867.0098@2.9234266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 867.0098 *867.0099* 867.0099@1.2276952 1 1 1 7432 6490 1 1 1 1 1 1 1 1 1 4817 1 1 1 1 3708 1 1 1 1 1 1 1 1 1 1 1 1 3229 1 1 1 1 1 1 1 12733 1 1 1 1 1 1 1 1 1 1 7560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 867.0099 *867.01* 867.01@2.2503376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6126 867.01 *867.0101* 867.0101@2.9609628 6735 13123 1 1 1 14588 9757 1 1 10298 1 1 1 1 1 1 5954 1 1 1 3549 5367 1 8418 1 10026 5097 1 1 5281 9023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11259 14968 1 8013 8161 5460 7248 15685 1 1 1 1 12480 1 1 1 1 1 1 5283 1 1 11820 4698 1 8939 5250 1 1 5992 5317 1 1 1 1 1 8174 1 1 1 1 7360 1 6164 867.0101 *867.0101* 867.0101@1.8026749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4399 1 1 1 1 2839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4641 1 1 1 1 1 1 1 9965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 867.0101 *867.0102* 867.0102@1.049066 28372 39333 15441 15303 1 37028 17532 16044 17705 17718 1 38398 22104 30567 37155 36260 18457 1 13054 16648 21678 23030 32146 17762 29909 38611 1 32426 33636 36701 1 1 33213 37336 13299 1 30283 40236 1 30915 10478 1 13270 31629 38871 1 34562 18414 1 1 33895 33701 1 25887 36429 14937 41062 36447 19412 36741 39881 39770 32900 17382 22514 31448 27273 33987 38257 1 21623 1 29036 1 32274 5668 1 1 1 34212 25046 39695 33768 14840 35307 37331 28079 14336 37310 39576 867.0102 *867.0103* 867.0103@0.7007824 1 1 1 1 1 1 1 1 1 1 1 1 1 3519 3565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13204 1 1 1 1 1 1 1 1 1 1 1 1 16938 1 1 1 1 7450 1 1 1 8075 1 1 5199 867.0103 *867.0104* 867.0104@1.6095638 1 1 1 5215 1 1 1 1 1 1 1 1 1 1 6852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 867.0104 *867.0106* 867.0106@1.9156083 1 1 1 1 1 1 1 6223 1 1 1 1 1 8327 3994 1 1 1 1 3448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7860 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 1 867.0106 *867.0106* 867.0106@10.504718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 867.0106 *868.0128* 868.0128@0.7376625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 868.0128 *868.013* 868.013@0.6412664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1528 1 1 1 1 1 1 868.013 *868.0134* 868.0134@1.1081877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4861 1 1194 1 1 4104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 868.0134 *868.0143* 868.0143@1.0250009 1714 1 1 1 1 1 1 1 1 1 3496 1 1 3491 2830 1 1 1 1 1 1 1 3320 1 1 1 1 1 1 1 1694 1 3207 1 1 3562 2398 1 2070 7671 1 1 1 1 1 1 1 1 1 1 1376 1 8030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1801 1 3780 1 3911 1 3297 1 1 1 1 1 1 1 1 1505 1 1 1 1 2098 1 1 868.0143 *868.0147* 868.0147@2.9066722 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 868.0147 *872.5192* 872.5192@2.215378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 872.5192 *872.5204* 872.5204@2.8361475 1 1 2258 7144 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 872.5204 *872.521* 872.521@2.1684027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5522 9293 1 1 1 1 1 3668 1 1 1 1 1 1 1 1 1 1 1 1 872.521 *875.8664* 875.8664@5.479648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1089 1 1070 1 1051 1102 1 1 1 1 875.8664 *879.4383* 879.4383@0.99158484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1679 2072 1 1 1 1 2408 1 1 1954 2092 1921 1 1 1 1 879.4383 *879.9869* 879.9869@0.76259327 1587 1 1 1456 1 1 2562 2427 2178 2289 2528 2572 1709 1930 2276 1821 2045 1794 1788 1550 2221 2097 1 1 1802 1812 1852 1890 1700 1521 1 1 1 1 1804 1550 2053 2289 1 1 3770 3914 1398 1 2171 2114 2813 2577 1 1 1834 1852 2551 2200 1 1 1 1 1 1 2719 3044 1779 2081 1668 1872 1 1 4281 4269 1 1 4698 4947 1 1 1685 1 2299 1 1 1 2382 2536 3172 3410 3053 3370 1 1 879.9869 *881.0199* 881.0199@0.7044553 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 2823 1 1 1 1282 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 1 881.0199 *881.024* 881.024@0.9959084 1 1 2063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2431 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 1813 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 1 881.024 *881.0252* 881.0252@1.0455276 1 1 2394 2620 2775 1924 1 1 3424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1549 1 1 1 1 1 2570 1 3491 1 3388 1 1 1 1 1 1 5571 1 1764 1 1 1 1 1 1 1 1 1614 1 1 1 1 1 2921 1 2849 3206 2879 1 1 1 2202 1 3885 1 1 2314 1 1996 2578 1 1 1 1 3130 1614 1 2772 1 1 1 1 1 1 1 881.0252 *881.4348* 881.4348@0.9922778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1088 1 1 1 1 1334 1 1 1 1 1 1 1 1 881.4348 *883.9955* 883.9955@0.87672937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 1 883.9955 *883.9972* 883.9972@0.66116226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 883.9972 *883.9989* 883.9989@1.3079318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 883.9989 *884.001* 884.001@0.92455786 3186 1 1 1 1 1 3803 3517 1 3455 3764 3491 1 3206 3743 1838 4368 3529 5382 5550 4660 4610 4653 3878 1 4633 1 3790 4457 1 5012 4298 1 1 1 1 3194 1 1 2467 4870 3943 1 1 1 1 1 1 3534 3500 1890 1 3119 2885 2983 3071 3099 3804 3617 3517 4427 4338 3997 4073 4010 3802 3174 3159 4701 4997 4957 4589 1 4055 3886 4893 3824 4080 14161 14307 3513 3908 4184 3996 3868 4219 4298 4265 2385 3492 884.001 *895.8466* 895.8466@5.4861794 2942 2963 2803 3082 2928 2472 3043 2704 3092 3101 3073 3142 2560 2925 2492 3156 3219 2783 2787 2936 2764 3114 2839 2683 2515 2859 3174 2705 2672 2311 3135 2951 3061 2786 2476 2635 2457 2868 3015 3010 3179 2605 2932 2998 2853 2850 2419 2669 3011 2815 3798 4581 4241 3631 3495 3621 3537 2834 3024 3060 4788 4589 2806 2911 3855 4152 3877 3462 2834 3126 5758 5479 3083 2728 3209 3564 4518 5219 5423 4793 5051 5383 5222 4745 5073 5613 4724 4939 3462 3492 895.8466 *896.3485* 896.3485@5.4844227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1003 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 1373 1315 1 1148 1 1 1 1 1 1 1173 1 1 1 1 1038 1 1 1 1 1672 1500 1 1 1 1 1375 1179 1424 1297 1274 1576 1159 1248 1371 1 1 1 1 1 896.3485 *911.0327* 911.0327@3.266911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 911.0327 *916.547* 916.547@2.9483657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 916.547 *916.6017* 916.6017@0.98067623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1571 1561 1 1 1 1264 1 1 1 1 1452 1 1 1 1 1 4231 3923 2667 2440 1791 1679 1 1 1627 1270 2437 1975 1 1 1585 1 3345 3318 1730 2014 2436 2819 2947 2719 1743 1453 2315 2038 2495 2620 3356 3379 1980 1558 2199 2172 1 1 2221 2162 2141 1948 1535 1 1962 1911 3972 3472 1 1 1 1 2376 2247 1 1 1 1103 2372 2368 916.6017 *920.9594* 920.9594@0.7091433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4561 1 1 1 1 1 1 1 1 1 1 920.9594 *929.8388* 929.8388@5.485471 8988 8905 8478 8644 8396 8956 8801 8744 8509 8483 8814 8807 8662 8472 8610 8676 8916 9750 8866 8731 8183 8404 8442 9424 8512 8640 7903 8523 7824 7948 8692 8350 8968 8151 8793 8352 8423 8600 9049 9143 8748 8660 7625 7928 8058 8880 8135 7849 8780 8661 12195 12292 11017 10881 9989 10263 9317 9364 8409 9006 11974 12347 9169 8399 11247 11029 10625 11548 8736 9370 14734 15434 8320 8624 9785 10098 12443 13146 13643 13224 13837 14282 13178 12843 14224 13450 12253 12890 10742 10973 929.8388 *930.3421* 930.3421@5.483501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1288 1 1 1 1008 1 1 1 1 1557 1217 1 1 1 1 1137 1165 1464 1285 1099 1313 1474 1117 1316 1448 1260 1 1067 1 930.3421 *932.5956* 932.5956@0.98105794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2163 2090 1 1094 1 1 1 1 1 1 1 1 1 1 1 1 1911 1 1 1 1 1 1825 2198 1 1 1 1 1 1 2219 2387 1 1 1 1 1 1 1 1 1 1 1 1 1 1243 2125 1877 1 1 1 1 1 1 1 1 1 1 1046 1 932.5956 *934.9965* 934.9965@1.2733558 1 1 1 1041 1 1 1 2387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 934.9965 *934.998* 934.998@1.1483053 1924 1614 1 1 1 1 1 1 2471 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 1 934.998 *948.0026* 948.0026@1.196454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 948.0026 *948.4682* 948.4682@0.99111295 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 948.4682 *948.9156* 948.9156@0.744252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1100 1 1 1 1 1 4181 4300 1 1 1 1 1 1 1 1211 1 1 1 1 2907 2993 1 1 1 1 1 1 1 1 1 1 10116 9358 1 1 1 1 1 1 1 1 3015 3329 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 1 948.9156 *952.5826* 952.5826@0.97311324 1 1 1 1 1 1 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 1351 1 1 1313 1260 1802 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 1 952.5826 *956.9761* 956.9761@4.0585065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 956.9761 *956.9768* 956.9768@1.1659824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 956.9768 *956.9768* 956.9768@0.6915675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60483 1 1 1 1 1 1 1 1 1 1 229999 1 460704 1 1 1 1 1 290123 1 1 1 1 87220 1 1 1 1 456821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255776 1 442128 1 1 1 1 1 392601 1 1 328867 1 1 1 1 1 1 1 1 1 1 443967 1 1 157091 956.9768 *956.978* 956.978@2.9848812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 92344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 956.978 *956.9782* 956.9782@2.7235103 426467 1 1 1 1 1 1 1 1 1 1 1 1 1 807993 1 1 1 1 1 577877 1 1 1 1 1 1 1 1 1 1 1 512382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 355297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236854 1 1 956.9782 *956.9782* 956.9782@2.215586 1 1 1 1 1 1 1 1 1 1 1 1 1 152675 1 1 1 1 1 1 196140 1 1 1 1 1 1 1 1 1 1 1 504835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 956.9782 *956.9783* 956.9783@2.9353294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159476 1 1 1 1 1 1 1 1 1 1 1 960784 1 1 956.9783 *956.9783* 956.9783@2.8749826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 683917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 956.9783 *956.9785* 956.9785@2.823534 333568 1 1 1 1 1 1 1 1 1 1 1 1 241454 1 1 1 1 1 1 158222 1 1 1 1 1 1 1 1 1 1 1 540834 1 1 1 1 1 976741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 998297 1 1 909645 1 1 1 1 1 1 1 1 1 1 1 152400 1 1 956.9785 *956.9787* 956.9787@2.041442 921265 1 1 1 1 1 1 1 1 1 1 1 1 1180342 984837 1 1 3121073 1 1095201 1587201 1 1 1 1 1 1 1 1 1 1 1 773110 1 1 1 1 1 1044007 1 1 1 1 1 1 1 1 2432773 1 1 1 1 911803 1008204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1616805 1 1 804764 1 1 1 1 1 1 1 1 1 1 1 2257392 1 1 956.9787 *957.3244* 957.3244@3.21471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 957.3244 *957.3427* 957.3427@2.0568428 1 1 1 1 1 1 1 1 1 1 1 1 1 8990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.3427 *957.3491* 957.3491@2.863105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10815 1 1 1 1 1 1 1 7955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.3491 *957.3513* 957.3513@2.2001665 1 1 1 1 1 1 1 1 1 1 1 1 1 5608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7242 1 1 1 1 1 7257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8700 1 1 1 1 1 1 1 1 957.3513 *957.4056* 957.4056@3.2279806 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.4056 *957.4729* 957.4729@3.5257173 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.4729 *957.4911* 957.4911@2.8846817 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 3967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.4911 *957.4986* 957.4986@2.0580795 1 1 4861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.4986 *957.4992* 957.4992@2.4833567 1 1 1 1 4743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.4992 *957.5076* 957.5076@2.821826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3290 1 1 1 1 3666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.5076 *957.5082* 957.5082@2.067612 1 1 1 1 1 1 1 1 1 1 9386 1 1 1 4338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 957.5082 *957.5218* 957.5218@3.2164776 1 1 1 1 1 1 1 1 1 1 4045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.5218 *957.5348* 957.5348@2.4754508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.5348 *957.535* 957.535@2.8414564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6058 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 1 957.535 *957.5646* 957.5646@2.9064677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3438 1 1 1 1 1 1 1 1 1 957.5646 *957.6089* 957.6089@2.3724003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.6089 *957.6091* 957.6091@2.045382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6560 1 1 1 1 1 1 1 1 1 1 4844 1 1 1 1 1 4344 1 1 1 1 8473 1 1 1 1 1 1 1 1 1 1 1 1 14171 1 957.6091 *957.6104* 957.6104@2.9047484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8675 957.6104 *957.6231* 957.6231@2.582585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.6231 *957.6233* 957.6233@2.9277954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.6233 *957.6298* 957.6298@1.9910169 1 4857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.6298 *957.638* 957.638@2.3285136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.638 *957.6405* 957.6405@2.9186096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.6405 *957.642* 957.642@3.0387342 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.642 *957.665* 957.665@2.0672317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.665 *957.6861* 957.6861@2.0554888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.6861 *957.6907* 957.6907@2.4507947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 5481 1 1 1 957.6907 *957.7026* 957.7026@3.009704 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.7026 *957.7191* 957.7191@2.7553196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.7191 *957.9796* 957.9796@2.2728782 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.9796 *958.2403* 958.2403@1.8968526 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.2403 *958.3376* 958.3376@2.010796 1 1 1 1 5879 1 1 3333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.3376 *958.3394* 958.3394@2.7926624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5153 1 1 1 1 1 1 1 1 1 1 1 1 958.3394 *958.3583* 958.3583@2.6611605 1 1 1 1 1 1 3840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.3583 *958.3594* 958.3594@2.0871863 1 1 1 1 1 1 1 7434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.3594 *958.3736* 958.3736@2.1969945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.3736 *958.3906* 958.3906@2.8221982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.3906 *958.4191* 958.4191@2.3977964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.4191 *958.432* 958.432@2.677653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.432 *958.4404* 958.4404@2.00894 1 1 1 1 1 1 1 1 1 1 10412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.4404 *958.4605* 958.4605@2.7337027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.4605 *958.4743* 958.4743@2.198615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5867 1 1 1 1 1 1 1 1 1 1 1 1 1 958.4743 *958.4751* 958.4751@3.0127983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.4751 *958.4856* 958.4856@2.732564 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4211 1 1 958.4856 *958.497* 958.497@2.0269926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.497 *958.517* 958.517@2.523069 1 1 1 1 1 1 1 1 1 3513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5162 1 1 1 1 1 1 1 1 1 958.517 *958.5217* 958.5217@1.9899893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6909 1 1 1 1 1 1 1 1 1 1 1 1 1 958.5217 *958.5274* 958.5274@2.1527777 1 1 1 1 1 1 1 7726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.5274 *958.5447* 958.5447@2.8226748 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.5447 *958.5473* 958.5473@1.9833746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7956 1 1 1 1 1 1 1 1 1 3270 1 1 958.5473 *958.5601* 958.5601@2.004607 1 1 1 1 1 4767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.5601 *958.5609* 958.5609@3.010177 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.5609 *958.5818* 958.5818@2.7279158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2990 1 1 1 1 1 1 1 1 1 3915 1 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 1 1 1 1 1 1 1 958.5818 *958.5841* 958.5841@2.3340998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.5841 *958.5974* 958.5974@2.94535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 958.5974 *958.6053* 958.6053@2.4852629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5334 1 1 1 1 1 1 3585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 958.6053 *958.6116* 958.6116@2.1362782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3892 1 8910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.6116 *958.6119* 958.6119@3.1743228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 958.6119 *958.6142* 958.6142@2.0054433 1 1 1 1 1 1 1 1 1 1 1 1 2831 1 1 1 1 1 1 7166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5959 1 1 1 1 1 1 958.6142 *958.6412* 958.6412@2.8275728 1 4874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.6412 *958.6424* 958.6424@2.011185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.6424 *958.6747* 958.6747@2.126096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7953 1 1 1 1 1 958.6747 *958.695* 958.695@2.62722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 958.695 *958.9706* 958.9706@0.72515446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34204 1 1 1 62624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36035 958.9706 *958.9728* 958.9728@5.382253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9728 *958.9729* 958.9729@4.039278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9729 *958.9745* 958.9745@2.8647568 1 1 1 1 1 1 1 1 1 1 1 1 1 101228 1 1 1 1 1 1 140892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9745 *958.9745* 958.9745@1.1781611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9745 *958.9747* 958.9747@2.3995886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9747 *958.9747* 958.9747@2.5357614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9747 *958.9747* 958.9747@2.7257977 1 1 1 1 1 1 1 1 1 1 1 1 1 123588 1 1 1 1 1 1 80103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9747 *958.9749* 958.9749@1.9726356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28825 1 1 73647 1 1 1 1 1 1 1 1 1 1 1 55533 1 1 958.9749 *959.2242* 959.2242@4.026363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.2242 *959.2306* 959.2306@1.4998035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.2306 *959.2505* 959.2505@0.9667087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 959.2505 *959.3345* 959.3345@2.3568127 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.3345 *959.337* 959.337@2.9417949 1 1 1 1 2666 1 1 3869 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 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 1 959.337 *959.3444* 959.3444@1.9511454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4213 1 1 1 1 1 1 1 1 959.3444 *959.3479* 959.3479@2.857854 1 1 1 1 1 1 1 1 1 1 1 1 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 6320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.3479 *959.3486* 959.3486@2.6353211 1 1 1 1 1 1 1 1 1 5966 1 1 1 1 1 1 2986 1 1 1 1 1 1 1 1 1 1 1 1 1 3150 1 1 1 1 4208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3410 5744 1 1 1 1 1 1 1 1 1 959.3486 *959.3637* 959.3637@2.1463344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.3637 *959.3714* 959.3714@2.7735229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.3714 *959.4086* 959.4086@3.0781436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 959.4086 *959.4172* 959.4172@2.018193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6179 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 1 1 1 1 1 1 1 1 1 1 1 1 1 959.4172 *959.4312* 959.4312@2.945225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.4312 *959.4558* 959.4558@2.6711183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.4558 *959.4614* 959.4614@2.2271163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.4614 *959.4783* 959.4783@2.8148785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.4783 *959.483* 959.483@1.9715763 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.483 *959.4853* 959.4853@2.854072 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2974 959.4853 *959.5161* 959.5161@2.3873036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4701 1 1 3475 1 1 1 1 1 1 1 1 959.5161 *959.5183* 959.5183@2.017381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3164 1 1 1 4442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 959.5183 *959.5401* 959.5401@2.2616878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 959.5401 *959.549* 959.549@2.838704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 959.549 *959.5512* 959.5512@1.9620875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 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960.3462@2.9189253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 960.3462 *960.3493* 960.3493@2.4819732 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 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 1 960.3493 *960.3772* 960.3772@2.3868065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 960.3772 *960.3919* 960.3919@2.8254619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 960.3919 *960.395* 960.395@2.2353969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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960.4489@2.63542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 960.4489 *960.5042* 960.5042@2.0133977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 960.5042 *960.5149* 960.5149@2.3908265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 960.5149 *960.5197* 960.5197@2.8250442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 960.5197 *960.5218* 960.5218@2.8171053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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960.5864@1.97735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2640 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 1 1 1 1 1 1 1 1 1 1 1 960.5864 *960.5939* 960.5939@2.205477 2329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1462 1 960.5939 *960.6325* 960.6325@2.1688597 1 1 1 1 1 1 1 1 1 1 1 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 1870 1 1 1 1 1 1 960.6325 *960.6342* 960.6342@2.8311896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 960.6342 *960.6558* 960.6558@2.3777642 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 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960.7141 *960.7383* 960.7383@2.3728998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 960.7383 *960.7577* 960.7577@2.6676328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2071 1 1 1 1 1 1 1709 1 1 1 1 1 1528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 960.7577 *960.76* 960.76@2.0270915 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 960.76 *960.8017* 960.8017@2.8499286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 960.8017 *960.9718* 960.9718@3.500698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 960.9718 *960.9751* 960.9751@2.6583755 1 1 1 1 1 1 1 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 1959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 960.9751 *960.9766* 960.9766@2.0448842 1 1 1 1 1 1 1 1 12932 8243 15671 1 1 1 1 1 1 1 1 1 1 1 13779 1 3278 11609 1 1 12593 1 1 1 1 1 1 4041 1 1 1683 1 1 8360 1 1 1 1 1 1 1 1 1 12289 1 1 1 1 1 1 1 13757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11857 1 1 1 1 18586 1 1 1 1 3380 960.9766 *960.9767* 960.9767@2.3442006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 960.9767 *960.977* 960.977@1.993567 1 1 1 1 1 1 1 1 1 5217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 960.977 *960.9776* 960.9776@2.8213723 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 1 1 1 1 1 1 1 3324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8384 1 1 960.9776 *961.1477* 961.1477@2.0592213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 961.1477 *961.1674* 961.1674@2.3323078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 961.1674 *961.1848* 961.1848@2.080154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 961.1848 *961.2437* 961.2437@2.9327052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 961.2437 *961.2785* 961.2785@2.0790439 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 961.2785 *961.4455* 961.4455@2.0352123 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 961.4455 *961.5327* 961.5327@2.064562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 961.5327 *961.9597* 961.9597@2.899815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1053 1 1 1 1 1 1 1 961.9597 *961.9623* 961.9623@2.0479286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 961.9623 *963.8311* 963.8311@5.4857373 2694 2828 2700 2583 2453 2505 2492 2750 2622 2364 2378 2573 2406 2504 2322 2733 3235 2945 2587 2524 2483 2484 2602 2315 2423 2493 2534 2454 2485 2512 2256 2258 2295 2289 2632 2715 2457 2304 2699 2662 2867 2685 2457 2424 2630 2312 2566 2238 2574 2416 4212 3878 3387 3116 2808 3343 3061 2782 2589 2649 4367 3799 2766 2695 3934 2989 3387 3316 2557 2672 5392 5171 2710 2277 2730 3229 4061 4725 4552 4346 4653 4556 4697 3934 4625 4887 3763 4146 3648 3156 963.8311 *964.3346* 964.3346@5.483602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1065 1 1 1 1 1 1 1 1 1 1208 1 1 1 1053 1241 1 1 1 1539 1569 1 1 1 1 1231 1 1161 1305 1239 1458 1347 1215 1321 1437 1 1 1 1 964.3346 *967.008* 967.008@0.6959132 1 1 1 1 1 1 1 1 1 1 1 1 1 1616556 2539193 1 1 1 1 3511872 1 1 1 1 1 1 1 1 1 1 1 1 1504774 1 1 1 1 1 1465193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 883047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1481832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1572765 1 1 967.008 *967.008* 967.008@0.8184878 998728 1 1 1 1 1 1 1 1 1 1 1 1 1112749 1 1 1 1 1 1 1097896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 880364 1 1 1 1 1 1 1 1 1 1 1 1702623 1 1 967.008 *967.008* 967.008@1.0310228 1 1 1 1 1 1 1 1 1 1 1 1 1 3581936 1 1 1 1 1 4517648 1 1 1 1 1 1 1 1 1 1 1 1 1001927 1 1 1 1 1 3983263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3690372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4668211 1 1 1 1 1 1 1 1 1 1 1 1524937 1 1 967.008 *967.008* 967.008@1.1035221 4969294 1 1 1 1 1 1 1 1 1 1 1 1 448701 4673546 1 1 1 1 1050667 2431756 1 1 1 1 1 1 1 1 1 1 1 3846282 1 1 1 1 1 641172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1263897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4986640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3342052 1 1 967.008 *967.008* 967.008@1.3458122 1 1 1 1 1 1 1 1 1 1 1 1 1 984613 614590 1 1 1 1 2063428 1078229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1192845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 487959 1 1 967.008 *967.008* 967.008@1.8489363 858789 1 1 1 1 1 1 1 1 1 1 1 1 1319603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 891720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5261064 1 1 1 1 1 1 1 1 1 1 1 2525331 1 1 967.008 *967.008* 967.008@2.977852 1 1 1 1 1 1 1 1 1 1 1 1 1 3844389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2418676 3137517 1 1 1 1 1 1 1 1 1 1 1 1 2445167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2799738 1 1 963698 1 1 1 1 1 1 1 1 1 1 1 1037283 1 1 967.008 *967.008* 967.008@1.4399717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1028310 1 1 1 1 1 501593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@1.3778913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1682850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@2.8848984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 988145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1409595 1 1 1538841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@3.9831207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 520240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@1.9751177 846695 1 1 1 1 1 1 1 1 1 1 1 1 902428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.3815* 967.3815@3.7469864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.3815 *967.3824* 967.3824@1.8708864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.3824 *967.3826* 967.3826@2.8650546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.3826 *967.3839* 967.3839@0.9859786 1 1 1 1 40984 1 1 1 1 1 1 1 1 1 47717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.3839 *967.3859* 967.3859@1.4024303 32251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.3859 *967.6386* 967.6386@4.320026 1 1 1 1 1 15198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.6386 *967.6387* 967.6387@1.8677773 1 1 1 1 1 1 39430 1 1 1 1 1 1 1 1 1 1 26725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.6387 *967.6424* 967.6424@1.0785073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24821 1 1 1 1 1 1 54936 1 1 1 1 1 1 1 1 1 1 1 39826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.6424 *967.6428* 967.6428@0.7083473 1 1 39392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.6428 *967.6442* 967.6442@1.4121913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40399 1 1 1 1 1 1 1 1 967.6442 *967.6466* 967.6466@3.7756243 1 1 1 1 1 1 1 1 1 1 21516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.6466 *967.6531* 967.6531@10.429578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11108 1 967.6531 *967.7489* 967.7489@0.96869785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.7489 *968.0103* 968.0103@2.927381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 149686 1 1 1 1 1 254564 1 1 1 386161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.0103 *968.0106* 968.0106@1.3142694 177453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.0106 *968.0109* 968.0109@1.8634748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47591 1 1 968.0109 *968.0109* 968.0109@0.75524545 1 950610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023202 1 1 1 1 1 1 1 1 1 395257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.0109 *968.3916* 968.3916@3.3143444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.3916 *968.406* 968.406@0.9635845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.406 *968.4172* 968.4172@3.8227482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18538 1 1 1 968.4172 *968.5431* 968.5431@2.8444366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.5431 *968.6594* 968.6594@1.1654131 1 1 1 1 1 18363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.6594 *968.8067* 968.8067@1.4950893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.8067 *968.8357* 968.8357@1.7954435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.8357 *968.8449* 968.8449@3.3649526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.8449 *969.0097* 969.0097@2.4046798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.0097 *969.0098* 969.0098@11.082786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.0098 *969.0102* 969.0102@2.9434967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37812 1 1 83375 1 1 1 1 1 1 1 1 1 1 1 1 1 90738 1 1 1 37371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80015 1 1 1 1 1 1 1 1 1 1 1 1 26226 65925 1 1 1 1 1 1 1 1 1 1 1 1 1 969.0102 *969.0104* 969.0104@3.4443207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.0104 *969.0108* 969.0108@1.8888451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.0108 *969.011* 969.011@1.4088131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.011 *969.0112* 969.0112@0.75259745 76677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18759 1 46911 969.0112 *969.0113* 969.0113@1.0611403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 221317 1 1 1 1 1 1 1 1 1 295948 1 27455 1 1 1 1 1 1 1 1 1 1 1 99838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.0113 *969.2671* 969.2671@2.1270707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.2671 *969.4955* 969.4955@0.8200587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.4955 *969.5305* 969.5305@1.0399479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8194 1 1 1 1 1 1 1 1 969.5305 *969.5483* 969.5483@1.3141872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.5483 *969.5657* 969.5657@0.9683001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.5657 *969.5888* 969.5888@4.4324474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.5888 *969.6444* 969.6444@1.111337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.6444 *969.6722* 969.6722@1.5965606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 969.6722 *969.7056* 969.7056@1.0012355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.7056 *969.8119* 969.8119@4.3385153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 969.8119 *970.0093* 970.0093@1.8357008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.0093 *970.0102* 970.0102@3.16191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15977 1 1 1 1 1 1 1 970.0102 *970.0105* 970.0105@3.027116 1 1 5802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18013 1 7271 1 1 1 1 1 19035 1 1 1 1 15068 1 1 1 1 1 1 1 12196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9574 1 1 9596 1 1 11798 1 1 1 1 970.0105 *970.0105* 970.0105@1.0327263 1 1 1 1 1 8411 1 1 1 1 1 33179 1 1 22099 1 1 1 1 1 1 1 1 5946 1 1 1 9765 1 1 1 1 7922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11921 1 1 7707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.0105 *970.0108* 970.0108@3.6724958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 970.0108 *970.0109* 970.0109@0.7251533 1 1 1 1 9561 1 1 1 16576 1 11365 1 1 1 6169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.0109 *970.256* 970.256@1.0025879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.256 *970.4571* 970.4571@1.0144758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.4571 *970.5111* 970.5111@3.3280954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 970.5111 *970.5225* 970.5225@2.129685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.5225 *970.5451* 970.5451@2.902789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.5451 *970.5616* 970.5616@9.385752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.5616 *970.6161* 970.6161@1.1644719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.6161 *970.7708* 970.7708@1.2541466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1805 1 1 970.7708 *970.8286* 970.8286@0.7466916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 970.8286 *970.8646* 970.8646@0.9801161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.8646 *970.9755* 970.9755@3.5676174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 970.9755 *970.9829* 970.9829@1.9875516 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2271 1 1 1 1 1 1 1 1 970.9829 *970.9904* 970.9904@0.9690911 1 1 1 1 1 1 1 1 1 1 1 1 3850 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.9904 *970.9945* 970.9945@3.5438519 1 1 1 1 1 1 1 1 1 1 1 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 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 2044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.9945 *970.9999* 970.9999@2.9802246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4593 1 1 1 1 1 970.9999 *971.0077* 971.0077@1.0861281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2613 1 1 1 1 1 1 14084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 971.0077 *971.008* 971.008@2.050236 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 971.008 *971.0081* 971.0081@3.8385553 1 1 1 1 1 1 1 1755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4623 1 1 1 1 1 1 4623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 971.0081 *971.0084* 971.0084@1.521631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3114 971.0084 *971.0147* 971.0147@0.79240745 1 1 1 1 1 2973 1 1 1 1 1 1 1 1 6789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2515 1 1 1 1 1 1 1 1 1 1 6889 1 1 1 1 1 9736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 971.0147 *971.0166* 971.0166@1.764526 1 1 1 1 1 4830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 971.0166 *971.0174* 971.0174@0.8158744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 971.0174 *971.0215* 971.0215@3.8050597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 971.0215 *971.0292* 971.0292@3.2607727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2650 1 1 1 1 1 1644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 971.0292 *971.1103* 971.1103@0.9630024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1892 1 1 1 1 1 1 971.1103 *971.1941* 971.1941@0.7189883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2343 1 1 1 1 1 1 1 971.1941 *971.4405* 971.4405@0.6734171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 971.4405 *971.5059* 971.5059@1.8637013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 971.5059 *971.5258* 971.5258@1.1471899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 971.5258 *971.5759* 971.5759@0.7298057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 971.5759 *971.7533* 971.7533@1.1613743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 971.7533 *971.8264* 971.8264@3.6731079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 971.8264 *971.9805* 971.9805@3.2030735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 971.9805 *972.0018* 972.0018@1.9113086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 972.0018 *972.3169* 972.3169@0.72263503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 972.3169 *972.5486* 972.5486@0.9675921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 972.5486 *972.6217* 972.6217@1.6908159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 972.6217 *979.0299* 979.0299@1.8859526 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 1522 1 1 1 1 1 1 1 1 1 979.0299 *979.0389* 979.0389@1.8892585 1 1 2493 2664 1989 1922 1 1658 1606 1 1714 1805 3957 4253 7113 7031 1 1 1 1 1 1 1 1 1 1 1 1544 1 1 2821 2866 4557 5330 1548 1291 1 1 2028 1862 1 1 2093 1984 2498 2153 1 1 1 1 1812 2091 1 1 1 1 1 1 1 1381 2757 2286 1 1 1 1 1325 1 1 1 1 1 1 1 2923 3175 3392 3501 1475 1 1 1689 1760 1642 1934 1616 1944 2094 1642 1 979.0389 *979.9793* 979.9793@6.343864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 979.9793 *979.9793* 979.9793@0.9358759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 979.9793 *979.9797* 979.9797@0.6362574 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 979.9797 *979.9799* 979.9799@1.6213392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 979.9799 *979.9802* 979.9802@1.274896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2618 1 1 1 1 1 1 1 1 1 1 3703 1 1 1 1 1 1 1 1 1 1 1 1 2823 1 1 1 1 3040 1 1 1 1071 1 1 1 2615 1 2428 2945 4837 1 1643 2213 1 1 1 1 1 1 1 1 1 1 1 1 5050 2665 1 5125 1 3956 4537 979.9802 *979.981* 979.981@1.8981844 1 1 1 1 1 1 1 1800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2294 1 1 1 1 1 1 1 2780 1 1 1 1 1 1 4549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1623 1 1 1 1 4595 1 1 1 1 1 1 1 1 1 1 6000 1 1 1 1 5175 1 1 1 7074 2459 3507 3310 2839 1 5996 1 1 1 1 1 979.981 *979.981* 979.981@0.7561107 1 1 1 1 1 1 16607 1 1 1 1 1 1521 1 1 1 1 1 1 1 3588 1 1 1466 1 1 1 1 1 1 1 1 1 1 13925 1 1 1 1 1 1 1 1 11227 1 1 1 1 6140 1 1 42408 1 1 1 1 1 1 2486 1 1 1 1 1 1 1 1 1 1 1 1 1 2287 1952 1 1 1 1 1 1 2297 1 1 1 1 1 1410 51102 1 1945 979.981 *979.9812* 979.9812@5.7828817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 979.9812 *979.9814* 979.9814@2.9977489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5848 1 1 1 2582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 979.9814 *979.982* 979.982@5.7248964 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 2621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2693 1 1 1 2006 2056 1 1 1 1 1 2443 1 1 1 2201 1 1 1 1 1 1 2206 1 1 1 1 1 1 2782 1 2486 1 1 979.982 *979.982* 979.982@1.154097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 979.982 *979.9828* 979.9828@0.7618443 195720 204015 195239 205655 147177 144490 307086 322148 297976 298741 334569 342588 270255 257704 255503 254832 263403 257988 243894 243227 293935 303919 134469 146054 266595 256540 259953 243290 253977 252165 195833 176845 109650 98446 235508 249774 292529 291736 182787 182981 533259 526932 184245 218410 326195 327423 399021 407698 50718 68380 305239 253543 372838 367958 242617 240781 161268 155641 139214 133510 442269 479288 301933 309502 270050 264053 188403 198602 690390 694514 205497 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2960 1 1 1 1 1 1 1 1 1 1 980.4071 *980.4285* 980.4285@0.7553056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 980.4285 *980.441* 980.441@0.76624024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 980.441 *980.4572* 980.4572@0.7525877 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 980.4572 *980.4788* 980.4788@0.76661825 1 1 1 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 2686 1 1 1 1 1 1 1 1 1 1 1 980.4788 *980.4991* 980.4991@0.7615774 1 1 1 1 1 1 1 1746 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 1143 1421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3770 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 1 980.4991 *980.5286* 980.5286@0.7655915 1 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 2267 1929 1 1 1 1 1 4349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2696 1 1 1 1 1 1 980.5286 *980.5378* 980.5378@0.7635521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 980.5378 *980.5588* 980.5588@0.80413526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 980.5588 *980.5791* 980.5791@0.7670568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4908 1 1 1 1 1 1189 1 1 1397 1 1 1 1 1 1 1 980.5791 *980.6031* 980.6031@0.7632098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 980.6031 *980.6381* 980.6381@0.7630595 1 1 1 1 1 1 2802 1 1 1 1 1 1 1 1 1 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 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 3881 1 1 1 980.6381 *980.6564* 980.6564@0.75894415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 980.6564 *980.6765* 980.6765@0.76346135 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 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 3123 1 1 1 1 980.6765 *980.6875* 980.6875@0.7603569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2023 1 1 1 1 1 1 1 1 1 1 980.6875 *980.7081* 980.7081@0.76757586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 980.7081 *981.0116* 981.0116@0.77368134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.0116 *981.0172* 981.0172@3.0319333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.0172 *981.0177* 981.0177@2.9939508 14206 1 1 17731 7384 1 1 10032 1 1 1 1 1 9635 3538 1 1 1 1 1 16094 14191 1 1 1 1 1 1 1 8838 1 1 6922 1 1 28646 1 1 9947 13108 1 1 1 15712 1 29394 1 1 1 1 1 1 13411 1 10205 1 1 1 1 1 8363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12828 8770 1 1 1 1 1 8492 1 1 1 1 13322 1 1 981.0177 *981.018* 981.018@1.8760736 1 1 1 1 1 1 1 1 1 1 1 1 1 6230 1 1 1 1 1 10061 13346 1 1 1 1 1 1 1 1 1 1 1 17158 1 1 1 1 1 18253 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 13359 1 11996 1 1 28874 1 1 1 1 1 1 1 1 1 1 1 21645 1 1 981.018 *981.018* 981.018@1.4399656 1 1 1 1 1 1 1 1 1 1 1 1 1 7899 5125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.018 *981.018* 981.018@3.6404936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.018 *981.018* 981.018@0.6562295 9309 1 21683 1 1 1 1 1 1 1 1 1 1 1 1 1 11624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34335 1 1 8329 1 1 1 1 1 1 1 34724 1 27158 1 1 1 1 1 35689 33088 1 1 20934 1 1 1 1 1 1 1 1 32997 1 48715 26737 1 1 1 20736 18626 1 1 1 1 14876 27994 1 23946 1 1 1 1 32193 1 981.018 *981.0182* 981.0182@1.323143 7270 1 1 1 1 1 1 1 1 1 1 1 1 1 6972 1 1 1 1 9688 1 1 1 1 1 1 1 1 1 1 1 1 13414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.0182 *981.0182* 981.0182@2.5722148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4663 1 1 9301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5079 1 1 1 1 1 1 1 1 1 1 1 1 1 4836 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 1 981.0182 *981.0183* 981.0183@1.5706848 6665 1 1 1 1 1 1 1 1 1 1 1 1 1 6975 1 1 1 1 1 10312 1 1 1 1 1 1 1 1 1 1 1 11652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.0183 *981.0185* 981.0185@0.96864456 1 1 1 1 1 1 1 1 1 1 1 1 1 8274 1 1 1 1 1 20542 10764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7305 1 17125 1 1 1 1 1 1 1 1 1 1 1 1 19727 1 1 1 13975 1 1 8704 1 1 1 1 1 1 1 1 1 1 1 16600 1 1 981.0185 *981.0185* 981.0185@1.3828274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3645 1 1 1 1 1 12952 1 1 1 1 1 1 1 1 1 1 1 5849 1 1 1 1 1 14260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6692 1 1 12393 1 1 1 1 1 1 1 1 1 1 1 981.0185 *981.0189* 981.0189@1.1825725 5736 1 1 29629 1 1 1 1 1 1 1 1 1 1 6436 1 1 1 1 7191 12026 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 1 1 1 19361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9413 1 1 1 1 1 1 1 1 1 1 1 25301 1 1 981.0189 *981.019* 981.019@1.002315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.019 *981.0191* 981.0191@1.8004547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.0191 *981.0192* 981.0192@3.1607704 1 1 1 6455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.0192 *981.2578* 981.2578@0.74231696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.2578 *981.3042* 981.3042@0.7844811 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.3042 *981.3472* 981.3472@0.7809527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 981.3472 *981.3612* 981.3612@0.76658976 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 981.3612 *981.3871* 981.3871@0.7716666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3424 1 1 1 1014 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 1 981.3871 *981.407* 981.407@0.7677922 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1798 1 1 1 1 1 1 1658 1 1 1 1 981.407 *981.4468* 981.4468@0.7699043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4740 1 1 1 1 1 1 1 1 1 1 1 1 1 1635 1 1 981.4468 *981.4693* 981.4693@0.78180027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.4693 *981.4817* 981.4817@0.76556003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.4817 *981.5076* 981.5076@0.74372184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 981.5076 *981.7092* 981.7092@0.7626264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 981.7092 *981.7238* 981.7238@0.760228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.7238 *981.7826* 981.7826@0.76696104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 981.7826 *982.016* 982.016@4.5035977 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 982.016 *982.018* 982.018@1.6442447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 982.018 *982.0191* 982.0191@4.228906 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 982.0191 *982.0197* 982.0197@2.9738681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2862 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 2483 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 2966 1 1 1 1 1 5180 1 1 1 1 1 982.0197 *982.0203* 982.0203@1.070739 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 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 1 1 1 1 1 1 1 5964 1 1 1498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 982.0203 *982.0204* 982.0204@0.66599697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7296 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 3902 1 1 1 7934 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 4882 1 1 1 1 1 982.0204 *982.0206* 982.0206@1.7876854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2083 1 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 1 1 1 1 1 1 1 1 1 1 982.0206 *982.2532* 982.2532@0.7561068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 982.2532 *982.2715* 982.2715@0.76857764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 982.2715 *982.2958* 982.2958@0.7567081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 982.2958 *983.9931* 983.9931@8.669605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9931 *983.9933* 983.9933@10.603986 11281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9933 *983.9941* 983.9941@3.9900308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9941 *983.9944* 983.9944@9.880208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9944 *983.9945* 983.9945@2.9478035 49667 45429 1 1 1 66495 59939 1 1 1 1 1 1 38635 134110 1 23433 106451 56633 59256 1 1 90124 1 75176 1 96763 1 1 1 111478 1 58964 35694 1 210326 1 99147 1 138956 1 1 1 1 1 1 123038 123199 1 44470 1 1 1 51018 1 122081 1 132035 95684 84575 1 1 1 1 1 66548 128266 51604 62623 1 1 1 39510 1 112810 60629 1 1 1 37500 1 1 34520 1 1 56599 1 55048 1 42699 983.9945 *983.9945* 983.9945@2.9208035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57691 1 1 76134 1 1 1 45007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9945 *983.9946* 983.9946@3.1368792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9946 *983.9947* 983.9947@0.661148 1 1 1 144757 85070 1 1 1 1 1 1 1 1 129571 163853 1 1 1 1 1 153446 215658 1 1 1 1 1 1 1 1 1 1 81495 1 1 1 1 1 1 1 1 1 1 87668 1 1 216338 266029 318691 1 154547 130781 1 92318 232625 1 1 1 1 140093 1 165511 1 1 1 176074 1 163740 1 1 1 210496 121154 1 1 165185 1 1 1 157226 1 1 1 1 1 1 1 188339 1 88506 983.9947 *983.9947* 983.9947@1.0993754 1 1 1 1 1 1 1 1 1 1 1 1 1 20531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62882 1 1 983.9947 *983.9948* 983.9948@1.6253185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125019 1 1 1 1 1 110921 1 1 1 1 1 1 1 1 1 1 1 70732 1 1 1 1 1 38770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66942 1 1 91654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9948 *983.9949* 983.9949@1.1616994 1 1 1 1 88234 1 1 1 1 1 1 1 1 1 45816 1 1 1 1 36890 30644 1 1 1 1 1 1 117218 1 1 1 1 1 1 1 1 1 1 38383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93372 1 1 1 1 1 1 1 124312 1 1 1 1 1 1 1 1 107317 1 62227 1 1 33881 1 1 62621 1 1 1 1 1 1 1 1 49037 1 87401 983.9949 *983.9949* 983.9949@1.3005604 54626 1 1 1 1 1 1 1 1 1 1 1 1 59739 17630 1 1 1 1 97382 134042 86447 1 1 1 1 1 1 1 88013 1 1 145639 1 1 1 1 1 1 156275 1 100009 1 1 1 1 1 1 1 1 1 1 1 28728 1 1 1 1 1 1 1 1 1 1 1 1 1 118273 1 1 1 1 43977 1 1 77719 1 1 128824 1 1 1 92388 1 1 116408 1 98630 1 86835 983.9949 *983.9949* 983.9949@1.3570607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40339 1 1 1 1 1 75882 1 1 1 1 1 1 1 1 41442 1 1 983.9949 *983.9949* 983.9949@1.5395488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9949 *983.995* 983.995@1.472433 39288 1 1 1 1 1 1 1 1 1 1 1 1 94963 97607 1 1 1 1 1 45250 1 1 1 1 1 1 1 1 1 1 1 72563 1 1 1 1 1 54048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59479 1 1 79937 1 1 1 1 1 1 1 1 1 1 1 91968 1 91157 983.995 *983.9952* 983.9952@0.8183071 65205 1 1 1 1 1 1 1 1 1 1 1 1 90775 32212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33083 1 1 1 1 1 1 1 1 1 1 51171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9952 *983.9952* 983.9952@1.8288755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 63436 1 1 1 1 1 90249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37401 1 1 99553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9952 *983.9954* 983.9954@1.9503593 250637 1 1 193660 1 203119 245050 170765 1 1 256304 1 1 241654 188003 1 254285 1 1 218265 218059 226190 1 1 1 1 1 1 1 210287 1 1 24419 1 1 1 1 1 268477 1 1 1 1 292377 1 1 1 1 206981 127488 1 190445 219893 145573 1 1 1 253648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231666 1 1 162356 1 1 1 1 1 167777 1 1 1 175167 1 185319 1 195682 983.9954 *983.9956* 983.9956@2.1627297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42751 1 1 1 1 23608 1 1 1 1 1 1 1 1 1 1 1 1 260590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36310 1 1 983.9956 *983.9959* 983.9959@0.92349946 256436 257313 256037 255334 245304 1 1 1 1 316213 253625 252784 204820 151603 282067 259431 311862 322767 400222 359806 349537 346703 326273 304432 292071 302143 276375 352815 350069 349504 289269 381160 232877 1 1 1 333917 235204 239784 277823 308899 308120 290864 1 296669 318545 407455 376285 324925 273730 1 1 214844 254685 285199 231611 280941 283510 294687 290440 336541 444161 316604 304665 245773 275451 276176 1 394457 360379 450732 359256 283074 239632 271854 376130 348997 289654 1485573 1512338 1 1 310021 408512 304310 406073 377582 415533 383876 316336 983.9959 *984.3753* 984.3753@1.9583329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4027 1 1 1 984.3753 *984.3799* 984.3799@0.92576665 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 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 4265 1 1 1 1 1 1 1 984.3799 *984.3923* 984.3923@1.9527308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 984.3923 *984.4548* 984.4548@1.9571258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 984.4548 *984.4697* 984.4697@1.9383571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2035 1 1 1 1 1 1 1 1 1 1 1 1 1 984.4697 *984.5064* 984.5064@1.957921 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 2796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 984.5064 *984.5142* 984.5142@0.93652266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2010 984.5142 *984.5185* 984.5185@1.9621559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 984.5185 *984.5419* 984.5419@1.9395607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 984.5419 *984.5439* 984.5439@0.90954554 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 984.5439 *984.5644* 984.5644@0.9454801 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2003 1 1 1 1 1 1 1 1 1 1 984.5644 *984.601* 984.601@0.9371535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 984.601 *984.6425* 984.6425@1.9598558 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 984.6425 *984.6528* 984.6528@0.92796457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 984.6528 *984.7065* 984.7065@0.9231285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 984.7065 *984.7446* 984.7446@0.93936616 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 984.7446 *984.9957* 984.9957@2.9508097 1 1 1 1 1 1 1 13970 1 1 1 1 1 1 1 19659 1 1 1 4470 9786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9032 1 11738 1 1 17126 1 1 1 1 5785 1 1 1 1 1 1 1 9209 1 1 12405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18487 1 1 1 1 15915 1 1 1 984.9957 *984.996* 984.996@1.3003179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 984.996 *984.9964* 984.9964@0.8312096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 984.9964 *984.9969* 984.9969@1.8982084 1 1 1 1 1 1 1 1 1 1 1 1 1 5319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 984.9969 *985.2514* 985.2514@0.93902034 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 985.2514 *985.2518* 985.2518@1.9532089 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 3138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 985.2518 *985.392* 985.392@0.9282299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 985.392 *985.4091* 985.4091@0.9076388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2476 1 1 1 1 1 1 1 1 4837 1 1 1 1 1 1 1 1 1 1 1 985.4091 *985.4511* 985.4511@0.92613643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 985.4511 *985.5016* 985.5016@0.922 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5408 1 1 1 1 1 1 1 1 1 1 985.5016 *985.5733* 985.5733@0.926044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4628 1 1 1 1 1 1 1 1 1 1 1 985.5733 *985.8091* 985.8091@0.9100627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3372 1 1 1 1 1 1 1 1 1 1 1 985.8091 *985.9945* 985.9945@2.9602587 1 1 1 1 1 1 1 1 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 2209 1 1738 1 1 1 2670 1 1 1 1 1 1 1 1 1 1 1 1 2699 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 1363 1 985.9945 *985.995* 985.995@0.8742119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 985.995 *985.9962* 985.9962@2.1946464 1 1 1 1 1 1 1 5262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 985.9962 *985.9964* 985.9964@1.676245 1 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 1 1 1 1 1 1 1337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 985.9964 *985.9974* 985.9974@1.4403644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 985.9974 *985.9983* 985.9983@0.78491384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2549 1 1 1502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 985.9983 *985.9994* 985.9994@1.2059058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1755 1 1 1 1 1 1 2619 1 1 1 1 1 3611 1 1 1 1 985.9994 *986.249* 986.249@0.922 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 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 1 986.249 *986.392* 986.392@0.9340346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 986.392 *986.6248* 986.6248@0.927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2178 1 1 1 1 1 1 1 1 1 1 986.6248 *990.0208* 990.0208@0.8411454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2090 1996 990.0208 *992.9542* 992.9542@2.0418587 1 1 3348 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 2918 1 1 1 1 1 1 1 1 1 1 2470 3851 1 1 1 1 1 4532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 992.9542 *996.5277* 996.5277@0.98803896 1 1 2078 1 1 2211 1 1 1 1 1 1 1 1 3041 1 2173 2429 1 1 1 1 1 1 3024 2695 1 1 1 1 6534 6955 4970 5011 2507 3070 2390 1968 3031 3496 4891 4826 1 1 3637 3176 6125 6683 3950 3977 5248 5313 5807 6034 4579 3305 6170 4844 4347 4578 5709 7365 4441 5523 5213 5101 2058 1 5059 5005 1972 4308 4387 4521 4390 4334 7691 3427 1 1 1 2082 5179 4943 1 1 2811 2609 4502 2035 996.5277 *997.8254* 997.8254@5.485583 6138 6113 6284 6198 6197 6435 6374 6768 6572 6370 6660 6475 6390 6070 6322 6351 6571 6896 6146 6261 6272 6010 6886 6716 6092 5831 6031 5972 5782 5895 6610 6162 6414 5977 6035 5941 5934 6173 6450 6652 6010 6340 6160 5764 5878 6190 6557 5824 6214 6009 8935 9031 7999 8015 7548 6783 6551 7092 6331 6102 8684 8135 6049 6785 8171 7391 7402 8015 6486 6876 10383 11114 6492 6184 7020 6713 9371 9200 9674 9585 9587 9703 9024 9567 9604 9419 9237 8958 7004 7491 997.8254 *998.3244* 998.3244@5.48357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1085 1221 1 1 1 1 1101 1 1067 1122 1123 1 1 1094 1330 1 1132 1139 1 1 998.3244 *998.5259* 998.5259@0.9860655 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 1 1 1 1 1 1 1 1 1 1 1 1 1 2404 1 1 1 1 1 1 4049 1 1 1 1 1 1 1 1 1 1 1 2290 998.5259 *999.5319* 999.5319@0.9870992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 999.5319