17
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1 BEGIN IONS
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2 TITLE= Cmpd 636, +MSn(730.3981), 66.9 min
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3 PEPMASS=730.39814 92569
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4 CHARGE=2+
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273 1187.60270 135
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274 1199.72200 1064 1+
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275 END IONS
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276
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277 BEGIN IONS
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278 TITLE= Cmpd 67, +MSn(562.2947), 26.3 min
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279 PEPMASS=562.29468 458049
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280 CHARGE=2+
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571 END IONS
|
|
572
|
|
573 BEGIN IONS
|
|
574 TITLE= Cmpd 357, +MSn(687.8723), 46.6 min
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575 PEPMASS=687.87224 60013
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|
|
881 END IONS
|
|
882
|
|
883 BEGIN IONS
|
|
884 TITLE= Cmpd 1197, +MSn(759.6966), 115.6 min
|
|
885 PEPMASS=759.69661 105750
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886 CHARGE=3+
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1178 END IONS
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1179
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1180 BEGIN IONS
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1562 978.51696 173
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1582 1281.52850 166
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|
1583 1303.63566 271 1+
|
|
1584 1321.64611 140
|
|
1585 END IONS
|
|
1586
|
|
1587 BEGIN IONS
|
|
1588 TITLE= Cmpd 582, +MSn(590.6452), 63.2 min
|
|
1589 PEPMASS=590.64518 208523
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1590 CHARGE=3+
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1595 175.10666 1007
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1596 185.05168 560
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1597 186.10854 272
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|
1598 187.07915 1725
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1599 188.07977 340
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1600 201.11376 585
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1602 217.07583 1194
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1604 227.07621 769
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1612 281.11337 730
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1687 488.20096 1003
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1708 525.27725 2374 1+
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1709 527.31860 11710 1+
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1710 527.78134 713
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|
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1720 541.78347 287
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1722 542.30714 118146 1+
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1723 542.78779 385
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1733 565.27569 599
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1754 584.23638 515
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1755 584.64514 5081 3+
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1756 584.78101 1313
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1757 585.79369 404
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1758 586.31092 667
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1759 586.79024 774
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1760 587.28812 1031
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1762 588.28572 450
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1763 589.29488 422
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1764 589.69865 4558 1+
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1765 590.21805 1408
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1768 594.31972 801
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1779 613.31436 370
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1784 621.32466 294
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1785 622.31566 397
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1789 630.31863 300
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1792 634.32671 684
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1794 635.31253 353
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1795 638.33582 244
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1796 643.33147 8650 2+
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1797 652.36309 312
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1799 655.37090 533
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|
1800 656.34034 459
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|
1801 657.33843 264
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|
1802 666.33411 330
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1803 668.35158 252
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1804 671.40273 471
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1805 672.41190 258
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1807 681.39374 7233 1+
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1808 692.34579 324
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1810 711.36609 1235 1+
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1811 726.31929 290
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1815 770.46518 569
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1816 771.43561 240
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1817 775.44294 350 1+
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1818 780.46490 3056 1+
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1820 839.40935 875
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1823 895.49075 647 1+
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1824 913.50662 11105 1+
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1825 929.48512 237
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1827 955.45023 460
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1828 972.47627 7910 1+
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|
1829 1014.55894 299
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|
1830 1024.53406 566
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|
1831 1025.55066 510
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1832 1042.55194 19121 1+
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1833 1071.52968 275
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1834 1156.58806 700
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1835 1157.60402 539
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|
1836 1158.56840 261
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|
1837 1228.63212 755 1+
|
|
1838 1285.65567 692 1+
|
|
1839 END IONS
|
|
1840
|
|
1841 BEGIN IONS
|
|
1842 TITLE= Cmpd 72, +MSn(428.2391), 26.6 min
|
|
1843 PEPMASS=428.23909 998365
|
|
1844 CHARGE=3+
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|
1845 159.06232 5635 1+
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1846 161.07525 1774
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1848 173.11119 7054 1+
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1849 175.10289 1261
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1850 183.10287 4304 2+
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|
1851 185.08708 939
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1852 189.07783 5645 1+
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1853 192.60777 1450
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1854 193.10729 3602 2+
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1855 197.14441 1228
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1857 201.11663 11094 1+
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1858 206.12293 826
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1859 213.09252 831
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1860 213.11574 471 4+
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1861 214.11581 4508
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1862 215.09783 7534 1+
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|
1863 219.08306 1460
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1864 221.11038 789
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1865 222.12209 394 2+
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1866 223.14635 1345
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1867 224.10726 1556
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1868 225.15311 1356
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1869 227.17299 36108 1+
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1870 229.12047 1613
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1873 242.12341 11292 2+
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1874 243.12805 1431
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1877 245.13347 596 2+
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1878 246.63161 5719 2+
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1879 248.13870 803
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1880 249.11318 1645
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1881 249.63518 778 2+
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1882 251.14138 1095
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1884 254.14973 6366 1+
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1885 255.63872 20478 2+
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1886 258.14593 1367
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|
1888 264.66399 782
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1890 269.16198 1990
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1891 270.16118 2109
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1892 272.16274 2219
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|
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|
1894 274.18250 1990
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|
1895 275.17058 1048
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|
1896 275.65918 1403
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|
1897 276.14395 857
|
|
1898 277.66992 1885
|
|
1899 278.16116 5360 2+
|
|
1900 283.15720 878
|
|
1901 284.17008 39580 2+
|
|
1902 285.16536 7744 2+
|
|
1903 286.15361 1325
|
|
1904 287.16378 1332 2+
|
|
1905 288.15985 2511 3+
|
|
1906 289.15806 846
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|
1907 290.15078 3933 2+
|
|
1908 293.13593 823
|
|
1909 294.14433 881
|
|
1910 295.13948 1469
|
|
1911 296.19241 5743 1+
|
|
1912 298.16971 5951 2+
|
|
1913 299.15574 27134 2+
|
|
1914 301.15498 2336
|
|
1915 302.16008 3457 2+
|
|
1916 303.14385 1245
|
|
1917 304.16888 906
|
|
1918 306.17564 1827 3+
|
|
1919 309.16906 791
|
|
1920 309.66575 990
|
|
1921 310.18230 1283
|
|
1922 311.14099 16286 1+
|
|
1923 314.19585 7031 1+
|
|
1924 315.66574 795
|
|
1925 319.16507 986
|
|
1926 322.67589 1742
|
|
1927 323.17570 1764
|
|
1928 327.19450 1350
|
|
1929 328.18666 2141
|
|
1930 329.15067 33623 1+
|
|
1931 329.71466 1050
|
|
1932 333.69156 1573 2+
|
|
1933 334.69578 1163
|
|
1934 335.18954 1038
|
|
1935 336.16998 1200
|
|
1936 337.19185 1174
|
|
1937 339.21320 807
|
|
1938 340.17153 2118
|
|
1939 341.18466 2560
|
|
1940 342.19072 842
|
|
1941 343.19601 1785
|
|
1942 343.70583 850
|
|
1943 345.20501 2464
|
|
1944 346.16717 1219
|
|
1945 346.69097 902
|
|
1946 347.16872 9370 2+
|
|
1947 348.16884 1608
|
|
1948 353.18480 1284
|
|
1949 355.20773 5283
|
|
1950 355.69804 10534 2+
|
|
1951 357.21169 1441
|
|
1952 358.16966 4492 2+
|
|
1953 359.18435 1451
|
|
1954 364.19075 13061 2+
|
|
1955 367.21304 4024 2+
|
|
1956 368.21715 1066
|
|
1957 371.20117 3787 2+
|
|
1958 372.20706 1497
|
|
1959 373.22464 26532 2+
|
|
1960 375.22001 1605
|
|
1961 377.19593 875
|
|
1962 378.20799 1413
|
|
1963 379.20999 1161
|
|
1964 380.18586 1392
|
|
1965 381.19930 1399
|
|
1966 381.86423 1279
|
|
1967 382.18487 4858 2+
|
|
1968 383.20667 2118
|
|
1969 384.21620 823
|
|
1970 385.20730 9193 1+
|
|
1971 387.54209 7008
|
|
1972 387.87218 13863 3+
|
|
1973 389.21509 9916 1+
|
|
1974 390.54576 1153
|
|
1975 390.71444 1291
|
|
1976 394.20730 1024
|
|
1977 395.20802 4806 2+
|
|
1978 396.22276 2190
|
|
1979 397.22842 2436
|
|
1980 398.20352 2294
|
|
1981 399.21473 19096 2+
|
|
1982 401.20648 921
|
|
1983 401.72280 948
|
|
1984 402.22260 865
|
|
1985 404.20910 808
|
|
1986 405.21391 817
|
|
1987 406.21042 2146
|
|
1988 407.20959 1167
|
|
1989 409.23785 1318
|
|
1990 410.22690 867
|
|
1991 411.24784 1171
|
|
1992 412.23674 1078
|
|
1993 413.22164 19687 1+
|
|
1994 413.55520 3426 1+
|
|
1995 413.89098 1822
|
|
1996 418.72343 5873 2+
|
|
1997 420.74065 1305
|
|
1998 421.24475 6072 2+
|
|
1999 421.57588 1260
|
|
2000 421.90896 921
|
|
2001 422.23882 8328 3+
|
|
2002 422.71060 1109
|
|
2003 423.21344 7472
|
|
2004 424.22181 13629 2+
|
|
2005 425.22421 4441 2+
|
|
2006 426.22980 1695
|
|
2007 427.23642 2055
|
|
2008 427.73085 1579
|
|
2009 428.24071 6120
|
|
2010 428.57039 17898 3+
|
|
2011 428.74129 1312
|
|
2012 429.77089 138330 2+
|
|
2013 431.73614 17680 2+
|
|
2014 433.23011 2256
|
|
2015 434.21067 1144
|
|
2016 436.25599 1339
|
|
2017 440.25616 882
|
|
2018 440.73386 29731 2+
|
|
2019 442.23619 20588
|
|
2020 443.23691 7192 1+
|
|
2021 445.72993 870
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|
2022 446.23776 1003
|
|
2023 447.22624 819
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|
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|
|
2025 449.23497 830
|
|
2026 449.73957 96641 2+
|
|
2027 451.20749 13939 2+
|
|
2028 452.20821 4577 2+
|
|
2029 453.22313 1101
|
|
2030 454.26078 1685
|
|
2031 454.74090 1312
|
|
2032 455.23953 1390
|
|
2033 455.73090 972
|
|
2034 456.23451 999
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|
2035 458.27236 1223
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2036 458.75982 7271 2+
|
|
2037 460.24464 13219 1+
|
|
2038 466.25317 1728
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|
2039 467.24531 4832 2+
|
|
2040 468.27305 3811
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|
2041 469.24050 13848 1+
|
|
2042 474.24342 2321
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|
2043 475.25299 986
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|
2044 476.25248 14341 2+
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|
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2129 686.38600 1350
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|
|
2160 1056.54170 4080 1+
|
|
2161 END IONS
|
|
2162
|
|
2163 BEGIN IONS
|
|
2164 TITLE= Cmpd 875, +MSn(483.2538), 89.2 min
|
|
2165 PEPMASS=483.25374 16982
|
|
2166 CHARGE=3+
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2167 155.07949 167
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|
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|
2434 1065.51811 223
|
|
2435 END IONS
|
|
2436
|
|
2437 BEGIN IONS
|
|
2438 TITLE= Cmpd 207, +MSn(785.9179), 35.7 min
|
|
2439 PEPMASS=785.91791 103759
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|
2440 CHARGE=2+
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|
2441 168.05094 846
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
2551 654.33102 275
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|
2552 654.83147 131
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|
2553 655.31711 133
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
2563 669.32101 142
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|
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|
2565 672.36385 999
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2566 672.85969 2874 2+
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|
2567 679.85625 143
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|
2568 685.39706 160
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|
2569 686.35236 129
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|
2570 689.35615 303
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|
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|
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2605 775.36036 145
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2606 776.90718 4392 2+
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2607 781.40646 250
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2610 782.89912 374
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2611 783.39609 649
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2613 785.38190 2317
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2615 788.40788 7141 2+
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2616 788.71033 270
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2618 791.37911 289
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2619 791.46262 2779 1+
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2620 791.90028 199
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|
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|
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|
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|
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|
2627 922.02338 370
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|
2628 922.53182 399
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2631 931.48193 200
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2633 1002.54104 204
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2638 1024.07753 413
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|
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|
2641 1030.43772 227
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|
2642 1031.45235 164
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2643 1032.43133 448 1+
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|
2644 1087.46268 204
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|
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|
2646 1089.45738 238
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2648 1117.56496 312
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|
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|
2655 1230.65661 189
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|
2656 1231.64088 314
|
|
2657 1232.67258 212
|
|
2658 END IONS
|
|
2659
|
|
2660 BEGIN IONS
|
|
2661 TITLE= Cmpd 1198, +MSn(1139.0413), 115.6 min
|
|
2662 PEPMASS=1139.04127 35714
|
|
2663 CHARGE=2+
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2664 186.06697 101
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|
2665 204.08122 658 1+
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2666 218.15805 107
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2670 251.14872 164 1+
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2675 339.22438 51
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2854 1078.96389 57
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2859 1093.70242 60
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2869 1133.48916 52
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2870 1133.72142 298 3+
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2871 1135.36036 127
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2873 1137.29030 918 3+
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2876 1143.59063 65
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2888 1325.53523 50
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|
2889 1339.03334 52
|
|
2890 1395.84822 50
|
|
2891 END IONS
|
|
2892
|
|
2893 BEGIN IONS
|
|
2894 TITLE= Cmpd 39, +MSn(594.3056), 25.0 min
|
|
2895 PEPMASS=594.30561 305807
|
|
2896 CHARGE=2+
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2897 155.07260 370
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2900 173.11568 34216 1+
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2904 187.12601 617
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2914 225.11889 479
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2927 264.14388 303 2+
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2928 265.12332 513
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2929 270.12648 620
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2930 270.15613 370
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2932 284.14457 987
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2933 285.14238 466
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2935 294.15118 647
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2936 296.16556 479
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2937 297.14640 359
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2938 298.18553 568
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2943 315.13200 363
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2975 401.21611 2452 1+
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2976 404.20953 672
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2990 436.21111 350
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3007 459.23277 613
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|
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|
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3060 527.28049 3247 1+
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3182 END IONS
|
|
3183
|
|
3184 BEGIN IONS
|
|
3185 TITLE= Cmpd 758, +MSn(847.7508), 76.8 min
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|
3494 END IONS
|
|
3495
|
|
3496 BEGIN IONS
|
|
3497 TITLE= Cmpd 871, +MSn(724.3762), 88.9 min
|
|
3498 PEPMASS=724.37624 328342
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3499 CHARGE=2+
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3756 END IONS
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3757
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3758 BEGIN IONS
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4072 END IONS
|
|
4073
|
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4074 BEGIN IONS
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4075 TITLE= Cmpd 75, +MSn(641.8547), 26.7 min
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4076 PEPMASS=641.85466 516186
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4077 CHARGE=2+
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|
4416 END IONS
|
|
4417
|
|
4418 BEGIN IONS
|
|
4419 TITLE= Cmpd 220, +MSn(824.3852), 36.3 min
|
|
4420 PEPMASS=824.38516 93979
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4421 CHARGE=3+
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4626 966.45568 135
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4627 979.53772 108 1+
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4628 1021.55412 145
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4632 1030.43046 2679
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4633 1031.43171 1647
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4634 1032.43314 5174 1+
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4635 1074.51564 327
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4644 1125.02722 192
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4645 1226.60588 216
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|
4646 1227.59915 156
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|
4647 END IONS
|
|
4648
|
|
4649 BEGIN IONS
|
|
4650 TITLE= Cmpd 81, +MSn(610.3171), 27.0 min
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|
4651 PEPMASS=610.31708 553347
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4652 CHARGE=3+
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4653 175.10584 482
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4896 985.47932 748
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4897 END IONS
|
|
4898
|
|
4899 BEGIN IONS
|
|
4900 TITLE= Cmpd 588, +MSn(764.3961), 63.5 min
|
|
4901 PEPMASS=764.39611 329352
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4902 CHARGE=2+
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5553 862.45799 2398 1+
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5564 894.47023 74
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5565 895.44332 255 1+
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5566 898.11120 70
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5591 1010.52750 76
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5593 1030.51962 82
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5595 1035.42095 91
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5596 1036.44483 171
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5597 1042.40321 68
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5608 1163.50587 437 1+
|
|
5609 1277.55625 82
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|
5610 END IONS
|
|
5611
|
|
5612 BEGIN IONS
|
|
5613 TITLE= Cmpd 591, +MSn(509.9328), 63.7 min
|
|
5614 PEPMASS=509.93283 45836
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5615 CHARGE=3+
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5616 173.11595 2631 1+
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|
5875 END IONS
|
|
5876
|
|
5877 BEGIN IONS
|
|
5878 TITLE= Cmpd 204, +MSn(524.2825), 35.5 min
|
|
5879 PEPMASS=524.28252 121118
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5880 CHARGE=3+
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|
|
6051 536.28811 274
|
|
6052 537.28924 392
|
|
6053 538.26822 297
|
|
6054 539.30807 7017 1+
|
|
6055 541.76035 328
|
|
6056 542.28618 574
|
|
6057 542.76378 381
|
|
6058 543.27684 602
|
|
6059 549.28903 361
|
|
6060 550.28398 766
|
|
6061 550.77316 2320 2+
|
|
6062 555.30352 459
|
|
6063 557.30677 379
|
|
6064 558.26941 517
|
|
6065 559.28509 33371 2+
|
|
6066 562.29648 266
|
|
6067 564.25243 463
|
|
6068 564.78649 228
|
|
6069 565.29024 326
|
|
6070 569.30831 259
|
|
6071 576.27394 235
|
|
6072 582.26157 398
|
|
6073 585.28501 257
|
|
6074 590.30827 376
|
|
6075 594.28295 1596 1+
|
|
6076 599.30416 261
|
|
6077 602.34436 249
|
|
6078 603.35006 234
|
|
6079 604.33465 386
|
|
6080 605.32957 236
|
|
6081 606.31089 307
|
|
6082 606.81906 1107
|
|
6083 607.31452 4285 2+
|
|
6084 614.82734 236
|
|
6085 615.30599 247
|
|
6086 615.82587 63376 2+
|
|
6087 619.18336 285
|
|
6088 620.82708 287
|
|
6089 621.31931 585
|
|
6090 622.31862 362
|
|
6091 638.31668 275
|
|
6092 639.31129 326
|
|
6093 640.34296 266
|
|
6094 645.18213 232
|
|
6095 647.19066 256
|
|
6096 648.32360 252
|
|
6097 650.33238 225
|
|
6098 654.28084 231
|
|
6099 654.87083 245
|
|
6100 655.35521 382
|
|
6101 656.36221 326
|
|
6102 662.34087 247
|
|
6103 663.36119 731
|
|
6104 663.85229 2941 2+
|
|
6105 669.36335 246
|
|
6106 671.33727 773
|
|
6107 671.87836 477
|
|
6108 672.36859 92472 2+
|
|
6109 676.30154 383
|
|
6110 677.34589 715
|
|
6111 677.87484 242
|
|
6112 681.43108 239 2+
|
|
6113 682.33415 228
|
|
6114 683.37711 1275 1+
|
|
6115 689.34719 4920 1+
|
|
6116 704.36673 294
|
|
6117 711.28085 605
|
|
6118 720.38724 318
|
|
6119 722.36809 2276 1+
|
|
6120 725.38632 335
|
|
6121 725.88345 243
|
|
6122 728.91114 5096 2+
|
|
6123 733.37743 663
|
|
6124 733.90267 9462 2+
|
|
6125 743.32913 238
|
|
6126 775.43439 834
|
|
6127 776.41090 351
|
|
6128 777.40820 278
|
|
6129 784.37111 2315 1+
|
|
6130 790.35711 724
|
|
6131 791.35297 405
|
|
6132 801.29252 478 1+
|
|
6133 803.29086 477
|
|
6134 804.32001 303
|
|
6135 817.44894 1604 1+
|
|
6136 819.29576 1483 1+
|
|
6137 821.34477 2052 1+
|
|
6138 858.38227 360
|
|
6139 903.45006 245
|
|
6140 931.49625 610
|
|
6141 932.38827 895 1+
|
|
6142 935.35068 813 1+
|
|
6143 944.30447 498 1+
|
|
6144 946.31847 531 1+
|
|
6145 971.46111 499
|
|
6146 1002.52863 762 1+
|
|
6147 1084.53371 468
|
|
6148 1099.54819 244
|
|
6149 1100.53904 486 1+
|
|
6150 1117.55479 637
|
|
6151 1118.57910 362
|
|
6152 END IONS
|
|
6153
|