##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/SpecManager v 12.01
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##DATE=10/12/14
##TIME=05:38:05
##.IONIZATION MODE=API-
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##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##SCAN_NUMBER=1
##RETENTION_TIME=1.601000
##TIC=37417.000000
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##TIC=50109.000000
##NPOINTS=2011
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##TIC=50626.000000
##NPOINTS=2106
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##SCAN_NUMBER=32
##RETENTION_TIME=114.779999
##TIC=59987.000000
##NPOINTS=2754
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##SCAN_NUMBER=33
##RETENTION_TIME=118.432999
##TIC=53914.000000
##NPOINTS=2601
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##SCAN_NUMBER=34
##RETENTION_TIME=122.084999
##TIC=51012.000000
##NPOINTS=2392
##XYDATA=(XY..XY)
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##SCAN_NUMBER=35
##RETENTION_TIME=125.737000
##TIC=65080.000000
##NPOINTS=3242
##XYDATA=(XY..XY)
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##TIC=56259.000000
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##SCAN_NUMBER=45
##RETENTION_TIME=162.292999
##TIC=39416.000000
##NPOINTS=1330
##XYDATA=(XY..XY)
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773.252319335938, 1176.470566 776.150695800781, 1176.470566 778.555603027344, 1176.470566
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790.422302246094, 1176.470566 792.257873535156, 1176.470566 792.283020019531, 1176.470566
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802.783935546875, 1176.470566 802.821960449219, 1176.470566 805.293151855469, 1176.470566
807.857116699219, 1176.470566 809.547424316406, 1764.705849 819.087036132813, 1176.470566
820.328186035156, 1176.470566 825.173889160156, 1176.470566 830.742248535156, 1176.470566
834.198059082031, 1176.470566 834.714477539063, 1176.470566 840.133422851562, 1176.470566
##SCAN_NUMBER=47
##RETENTION_TIME=169.591003
##TIC=64261.000000
##NPOINTS=3442
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##SCAN_NUMBER=49
##RETENTION_TIME=176.906006
##TIC=69948.000000
##NPOINTS=3703
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##TIC=80314.000000
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##TIC=70880.000000
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##SCAN_NUMBER=63
##RETENTION_TIME=228.072006
##TIC=68856.000000
##NPOINTS=3125
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##SCAN_NUMBER=73
##RETENTION_TIME=264.596985
##TIC=53582.000000
##NPOINTS=2285
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##SCAN_NUMBER=74
##RETENTION_TIME=268.247009
##TIC=56859.000000
##NPOINTS=2550
##XYDATA=(XY..XY)
164.062515258789, 1428.571415 164.068237304687, 1428.571415 164.073959350586, 1428.571415
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##SCAN_NUMBER=75
##RETENTION_TIME=271.898987
##TIC=53116.000000
##NPOINTS=2246
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##SCAN_NUMBER=77
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##TIC=56470.000000
##NPOINTS=2423
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##TIC=55945.000000
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##SCAN_NUMBER=83
##RETENTION_TIME=301.105011
##TIC=53579.000000
##NPOINTS=2202
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##SCAN_NUMBER=89
##RETENTION_TIME=323.009003
##TIC=57070.000000
##NPOINTS=2382
##XYDATA=(XY..XY)
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##SCAN_NUMBER=90
##RETENTION_TIME=326.661011
##TIC=55607.000000
##NPOINTS=2305
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##SCAN_NUMBER=91
##RETENTION_TIME=330.312988
##TIC=55811.000000
##NPOINTS=2255
##XYDATA=(XY..XY)
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##SCAN_NUMBER=94
##RETENTION_TIME=341.260010
##TIC=47655.000000
##NPOINTS=1775
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##SCAN_NUMBER=99
##RETENTION_TIME=359.502014
##TIC=38888.000000
##NPOINTS=1427
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##TIC=44211.000000
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##TIC=48584.000000
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##RETENTION_TIME=388.696991
##TIC=46472.000000
##NPOINTS=1675
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##SCAN_NUMBER=108
##RETENTION_TIME=392.345001
##TIC=43530.000000
##NPOINTS=1505
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##SCAN_NUMBER=109
##RETENTION_TIME=395.992004
##TIC=45816.000000
##NPOINTS=1617
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##SCAN_NUMBER=110
##RETENTION_TIME=399.640015
##TIC=45547.000000
##NPOINTS=1588
##XYDATA=(XY..XY)
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##TIC=42671.000000
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##TIC=44517.000000
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##SCAN_NUMBER=123
##RETENTION_TIME=440.990997
##TIC=45136.000000
##NPOINTS=1551
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##TIC=45074.000000
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##SCAN_NUMBER=127
##RETENTION_TIME=453.558014
##TIC=43679.000000
##NPOINTS=1492
##XYDATA=(XY..XY)
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##SCAN_NUMBER=128
##RETENTION_TIME=457.204987
##TIC=44058.000000
##NPOINTS=1487
##XYDATA=(XY..XY)
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##SCAN_NUMBER=137
##RETENTION_TIME=481.932007
##TIC=42197.000000
##NPOINTS=1438
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##TIC=44604.000000
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##SCAN_NUMBER=141
##RETENTION_TIME=496.522003
##TIC=42150.000000
##NPOINTS=1437
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##RETENTION_TIME=506.660004
##TIC=42940.000000
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##TIC=44731.000000
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##TIC=40541.000000
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##SCAN_NUMBER=149
##RETENTION_TIME=517.603027
##TIC=43428.000000
##NPOINTS=1516
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##SCAN_NUMBER=150
##RETENTION_TIME=521.250977
##TIC=44670.000000
##NPOINTS=1546
##XYDATA=(XY..XY)
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##TIC=42605.000000
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##TIC=42558.000000
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##SCAN_NUMBER=157
##RETENTION_TIME=546.783997
##TIC=41797.000000
##NPOINTS=1298
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857.712463378906, 1538.46159 858.969482421875, 1538.46159 862.562194824219, 1538.46159
##SCAN_NUMBER=159
##RETENTION_TIME=552.057983
##TIC=45773.000000
##NPOINTS=1614
##XYDATA=(XY..XY)
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##SCAN_NUMBER=160
##RETENTION_TIME=555.706970
##TIC=43388.000000
##NPOINTS=1477
##XYDATA=(XY..XY)
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##SCAN_NUMBER=161
##RETENTION_TIME=559.356018
##TIC=41983.000000
##NPOINTS=1418
##XYDATA=(XY..XY)
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##SCAN_NUMBER=162
##RETENTION_TIME=563.002014
##TIC=45871.000000
##NPOINTS=1569
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##SCAN_NUMBER=163
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##TIC=44149.000000
##NPOINTS=1592
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##TIC=45478.000000
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##SCAN_NUMBER=166
##RETENTION_TIME=575.568970
##TIC=46341.000000
##NPOINTS=1624
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##SCAN_NUMBER=172
##RETENTION_TIME=597.458008
##TIC=45882.000000
##NPOINTS=1696
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##SCAN_NUMBER=177
##RETENTION_TIME=615.705994
##TIC=45867.000000
##NPOINTS=1656
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##SCAN_NUMBER=178
##RETENTION_TIME=619.354980
##TIC=46039.000000
##NPOINTS=1660
##XYDATA=(XY..XY)
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##TIC=46097.000000
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##SCAN_NUMBER=180
##RETENTION_TIME=626.651001
##TIC=45478.000000
##NPOINTS=1575
##XYDATA=(XY..XY)
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##SCAN_NUMBER=181
##RETENTION_TIME=628.275024
##TIC=42339.000000
##NPOINTS=1465
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##SCAN_NUMBER=183
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##TIC=47025.000000
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##TIC=47018.000000
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##SCAN_NUMBER=190
##RETENTION_TIME=659.088013
##TIC=43570.000000
##NPOINTS=1500
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##SCAN_NUMBER=191
##RETENTION_TIME=662.734985
##TIC=45238.000000
##NPOINTS=1629
##XYDATA=(XY..XY)
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##SCAN_NUMBER=192
##RETENTION_TIME=666.383972
##TIC=45117.000000
##NPOINTS=1574
##XYDATA=(XY..XY)
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##SCAN_NUMBER=194
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##TIC=42438.000000
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813.162841796875, 1052.631569 813.914916992188, 1052.631569 821.275695800781, 1052.631569
825.507751464844, 1052.631569 833.410827636719, 1052.631569 838.502014160156, 1052.631569
851.363037109375, 1052.631569 
##SCAN_NUMBER=197
##RETENTION_TIME=682.603027
##TIC=45252.000000
##NPOINTS=1578
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##SCAN_NUMBER=198
##RETENTION_TIME=686.250977
##TIC=46475.000000
##NPOINTS=1683
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##TIC=47389.000000
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##TIC=48660.000000
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##SCAN_NUMBER=216
##RETENTION_TIME=751.934998
##TIC=47266.000000
##NPOINTS=1757
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820.917114257812, 1818.181801 823.903442382812, 1818.181801 826.175598144531, 1818.181801
830.381591796875, 1818.181801 831.334899902344, 1818.181801 839.252807617187, 1818.181801
855.449584960937, 1818.181801 857.581604003906, 1818.181801 
##SCAN_NUMBER=218
##RETENTION_TIME=759.231995
##TIC=41771.000000
##NPOINTS=1517
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##SCAN_NUMBER=219
##RETENTION_TIME=762.880981
##TIC=45070.000000
##NPOINTS=1677
##XYDATA=(XY..XY)
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##SCAN_NUMBER=220
##RETENTION_TIME=766.528992
##TIC=44619.000000
##NPOINTS=1647
##XYDATA=(XY..XY)
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##SCAN_NUMBER=221
##RETENTION_TIME=768.153015
##TIC=46166.000000
##NPOINTS=1718
##XYDATA=(XY..XY)
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##SCAN_NUMBER=225
##RETENTION_TIME=780.718018
##TIC=45827.000000
##NPOINTS=1688
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##SCAN_NUMBER=226
##RETENTION_TIME=784.366028
##TIC=45634.000000
##NPOINTS=1667
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##SCAN_NUMBER=233
##RETENTION_TIME=809.913025
##TIC=48136.000000
##NPOINTS=1860
##XYDATA=(XY..XY)
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##SCAN_NUMBER=234
##RETENTION_TIME=813.562012
##TIC=46199.000000
##NPOINTS=1745
##XYDATA=(XY..XY)
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##RETENTION_TIME=820.859009
##TIC=43333.000000
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##SCAN_NUMBER=241
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##TIC=44262.000000
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##TIC=47695.000000
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##SCAN_NUMBER=254
##RETENTION_TIME=886.551025
##TIC=42445.000000
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809.967102050781, 1428.571415 814.042419433594, 1428.571415 814.05517578125, 1428.571415
826.31689453125, 1428.571415 
##SCAN_NUMBER=256
##RETENTION_TIME=893.848999
##TIC=43905.000000
##NPOINTS=1600
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##SCAN_NUMBER=257
##RETENTION_TIME=897.497986
##TIC=46759.000000
##NPOINTS=1764
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##TIC=49486.000000
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##TIC=45787.000000
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##SCAN_NUMBER=265
##RETENTION_TIME=926.690002
##TIC=43297.000000
##NPOINTS=1568
##XYDATA=(XY..XY)
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##SCAN_NUMBER=266
##RETENTION_TIME=930.338989
##TIC=42845.000000
##NPOINTS=1540
##XYDATA=(XY..XY)
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##SCAN_NUMBER=267
##RETENTION_TIME=931.963013
##TIC=43333.000000
##NPOINTS=1587
##XYDATA=(XY..XY)
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##TIC=45958.000000
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848.704895019531, 1428.571415 
##SCAN_NUMBER=291
##RETENTION_TIME=1017.518982
##TIC=42977.000000
##NPOINTS=1583
##XYDATA=(XY..XY)
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##SCAN_NUMBER=292
##RETENTION_TIME=1021.168030
##TIC=44014.000000
##NPOINTS=1597
##XYDATA=(XY..XY)
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