##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/SpecManager v 12.01
##DATA TYPE=MASS SPECTRUM
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##DATE=10/11/24
##TIME=20:24:27
##.IONIZATION MODE=API-
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##YUNITS=RELATIVE ABUNDANCE
##SCAN_NUMBER=1
##RETENTION_TIME=1.601000
##TIC=40592.000000
##NPOINTS=1466
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##SCAN_NUMBER=5
##RETENTION_TIME=16.202999
##TIC=55421.000000
##NPOINTS=2479
##XYDATA=(XY..XY)
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##TIC=51136.000000
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##TIC=94972.000000
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##SCAN_NUMBER=59
##RETENTION_TIME=213.259003
##TIC=51179.000000
##NPOINTS=2035
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##TIC=53990.000000
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##SCAN_NUMBER=62
##RETENTION_TIME=224.207993
##TIC=51991.000000
##NPOINTS=2128
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##SCAN_NUMBER=65
##RETENTION_TIME=235.158997
##TIC=57802.000000
##NPOINTS=2474
##XYDATA=(XY..XY)
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##SCAN_NUMBER=70
##RETENTION_TIME=253.408005
##TIC=57103.000000
##NPOINTS=2490
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##SCAN_NUMBER=71
##RETENTION_TIME=257.058014
##TIC=56754.000000
##NPOINTS=2499
##XYDATA=(XY..XY)
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##SCAN_NUMBER=72
##RETENTION_TIME=260.709991
##TIC=53113.000000
##NPOINTS=2293
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##TIC=49337.000000
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##SCAN_NUMBER=76
##RETENTION_TIME=275.309998
##TIC=51365.000000
##NPOINTS=2080
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1874.560180664063, 1428.571415 
##SCAN_NUMBER=80
##RETENTION_TIME=287.889008
##TIC=51533.000000
##NPOINTS=2107
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##SCAN_NUMBER=81
##RETENTION_TIME=291.539001
##TIC=54103.000000
##NPOINTS=2285
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##SCAN_NUMBER=82
##RETENTION_TIME=295.187988
##TIC=53484.000000
##NPOINTS=2237
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##TIC=52501.000000
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##SCAN_NUMBER=84
##RETENTION_TIME=302.488007
##TIC=53091.000000
##NPOINTS=2208
##XYDATA=(XY..XY)
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##SCAN_NUMBER=85
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##TIC=42816.000000
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##SCAN_NUMBER=89
##RETENTION_TIME=320.733002
##TIC=53451.000000
##NPOINTS=2263
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##TIC=52432.000000
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##SCAN_NUMBER=92
##RETENTION_TIME=331.684998
##TIC=50295.000000
##NPOINTS=2110
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##SCAN_NUMBER=93
##RETENTION_TIME=335.335999
##TIC=51758.000000
##NPOINTS=2140
##XYDATA=(XY..XY)
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##SCAN_NUMBER=95
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##TIC=53510.000000
##NPOINTS=2263
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##RETENTION_TIME=346.286011
##TIC=51758.000000
##NPOINTS=2120
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##SCAN_NUMBER=97
##RETENTION_TIME=349.934998
##TIC=51908.000000
##NPOINTS=2103
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##SCAN_NUMBER=98
##RETENTION_TIME=353.584991
##TIC=52680.000000
##NPOINTS=2157
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760.011779785156, 1818.181801 761.861022949219, 1818.181801 761.922668457031, 2727.272797
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764.416687011719, 1818.181801 765.121154785156, 1818.181801 765.257141113281, 1818.181801
771.513366699219, 1818.181801 773.326843261719, 1818.181801 779.366333007812, 1818.181801
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790.975280761719, 1818.181801 794.1962890625, 1818.181801 799.8994140625, 1818.181801
802.923278808594, 1818.181801 808.78466796875, 1818.181801 810.946838378906, 1818.181801
814.029724121094, 2727.272797 817.15673828125, 1818.181801 819.035827636719, 1818.181801
844.699462890625, 1818.181801 848.665832519531, 1818.181801 856.521789550781, 1818.181801
856.822631835938, 1818.181801 
##SCAN_NUMBER=101
##RETENTION_TIME=364.532990
##TIC=50615.000000
##NPOINTS=2098
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##SCAN_NUMBER=102
##RETENTION_TIME=366.158997
##TIC=49781.000000
##NPOINTS=1995
##XYDATA=(XY..XY)
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##SCAN_NUMBER=103
##RETENTION_TIME=367.783997
##TIC=50495.000000
##NPOINTS=2060
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##TIC=48776.000000
##NPOINTS=1865
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##SCAN_NUMBER=105
##RETENTION_TIME=375.082001
##TIC=37774.000000
##NPOINTS=1245
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##SCAN_NUMBER=108
##RETENTION_TIME=386.028015
##TIC=51176.000000
##NPOINTS=2061
##XYDATA=(XY..XY)
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##TIC=51784.000000
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843.491882324219, 1428.571415 
##SCAN_NUMBER=110
##RETENTION_TIME=393.328003
##TIC=50313.000000
##NPOINTS=2001
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##TIC=48179.000000
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##SCAN_NUMBER=115
##RETENTION_TIME=411.571991
##TIC=47011.000000
##NPOINTS=1802
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851.076171875, 1333.333397 
##SCAN_NUMBER=116
##RETENTION_TIME=415.220001
##TIC=47586.000000
##NPOINTS=1867
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##SCAN_NUMBER=117
##RETENTION_TIME=418.867004
##TIC=41946.000000
##NPOINTS=1511
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##SCAN_NUMBER=118
##RETENTION_TIME=422.514008
##TIC=45518.000000
##NPOINTS=1671
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##SCAN_NUMBER=119
##RETENTION_TIME=426.161987
##TIC=36306.000000
##NPOINTS=1127
##XYDATA=(XY..XY)
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##SCAN_NUMBER=120
##RETENTION_TIME=429.807007
##TIC=41764.000000
##NPOINTS=1520
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##TIC=51074.000000
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##SCAN_NUMBER=136
##RETENTION_TIME=488.169006
##TIC=49960.000000
##NPOINTS=1983
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##SCAN_NUMBER=137
##RETENTION_TIME=491.817993
##TIC=46992.000000
##NPOINTS=1810
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##SCAN_NUMBER=148
##RETENTION_TIME=531.960999
##TIC=53488.000000
##NPOINTS=2211
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861.827331542969, 1428.571415 
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##TIC=52720.000000
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##TIC=50936.000000
##NPOINTS=2020
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##SCAN_NUMBER=153
##RETENTION_TIME=550.210999
##TIC=52232.000000
##NPOINTS=2156
##XYDATA=(XY..XY)
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##SCAN_NUMBER=155
##RETENTION_TIME=557.507996
##TIC=51962.000000
##NPOINTS=2105
##XYDATA=(XY..XY)
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##SCAN_NUMBER=156
##RETENTION_TIME=561.158020
##TIC=53215.000000
##NPOINTS=2202
##XYDATA=(XY..XY)
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##SCAN_NUMBER=157
##RETENTION_TIME=564.807007
##TIC=51707.000000
##NPOINTS=2114
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743.66455078125, 1250 745.835510253906, 1250 747.276489257812, 1250 752.269409179688, 1250
753.127685546875, 1250 754.465209960937, 1250 754.551147460937, 1250 760.381408691406, 1250
761.306030273438, 1250 765.046997070313, 1250 767.818481445313, 1250 770.061645507812, 1875
770.96728515625, 1250 771.960327148438, 1250 772.320495605469, 1250 774.346313476562, 1250
780.102661132813, 1250 780.77685546875, 1250 783.964599609375, 1250 784.966003417969, 1250
791.6416015625, 1250 796.452392578125, 1250 802.125610351562, 1875 802.619323730469, 1250
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830.600524902344, 1250 831.566833496094, 1250 847.546508789062, 1250 853.594421386719, 1250
858.288452148438, 1250 
##SCAN_NUMBER=160
##RETENTION_TIME=575.754028
##TIC=54704.000000
##NPOINTS=2237
##XYDATA=(XY..XY)
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##SCAN_NUMBER=161
##RETENTION_TIME=579.403015
##TIC=62524.000000
##NPOINTS=2502
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776.175598144531, 338.983059 783.326538085938, 338.983059 783.4140625, 338.983059
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790.837036132813, 338.983059 791.302124023438, 338.983059 799.216979980469, 338.983059
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845.829895019531, 338.983059 852.850280761719, 338.983059 866.701782226563, 338.983059
##SCAN_NUMBER=171
##RETENTION_TIME=615.913025
##TIC=56543.000000
##NPOINTS=2397
##XYDATA=(XY..XY)
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##SCAN_NUMBER=172
##RETENTION_TIME=619.562988
##TIC=55833.000000
##NPOINTS=2315
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##SCAN_NUMBER=180
##RETENTION_TIME=648.773987
##TIC=56859.000000
##NPOINTS=2539
##XYDATA=(XY..XY)
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##SCAN_NUMBER=181
##RETENTION_TIME=652.424988
##TIC=57322.000000
##NPOINTS=2444
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##SCAN_NUMBER=184
##RETENTION_TIME=663.377014
##TIC=54893.000000
##NPOINTS=2299
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##SCAN_NUMBER=188
##RETENTION_TIME=677.979980
##TIC=55862.000000
##NPOINTS=2381
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838.476135253906, 606.0606 856.129455566406, 606.0606 
##SCAN_NUMBER=207
##RETENTION_TIME=747.338013
##TIC=57249.000000
##NPOINTS=2380
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##TIC=57271.000000
##NPOINTS=2365
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##SCAN_NUMBER=210
##RETENTION_TIME=758.289978
##TIC=57566.000000
##NPOINTS=2494
##XYDATA=(XY..XY)
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##SCAN_NUMBER=217
##RETENTION_TIME=783.843018
##TIC=56608.000000
##NPOINTS=2420
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##TIC=58108.000000
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##RETENTION_TIME=798.445984
##TIC=57358.000000
##NPOINTS=2420
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##TIC=54198.000000
##NPOINTS=2130
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##SCAN_NUMBER=229
##RETENTION_TIME=827.651978
##TIC=53055.000000
##NPOINTS=2197
##XYDATA=(XY..XY)
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##SCAN_NUMBER=230
##RETENTION_TIME=831.302979
##TIC=49152.000000
##NPOINTS=2011
##XYDATA=(XY..XY)
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##TIC=50389.000000
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##SCAN_NUMBER=232
##RETENTION_TIME=838.599976
##TIC=54915.000000
##NPOINTS=2315
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##SCAN_NUMBER=235
##RETENTION_TIME=849.547974
##TIC=52290.000000
##NPOINTS=2172
##XYDATA=(XY..XY)
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##SCAN_NUMBER=236
##RETENTION_TIME=853.197021
##TIC=50156.000000
##NPOINTS=2036
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##SCAN_NUMBER=239
##RETENTION_TIME=862.119995
##TIC=50593.000000
##NPOINTS=2032
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##RETENTION_TIME=865.770020
##TIC=52370.000000
##NPOINTS=2175
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##SCAN_NUMBER=243
##RETENTION_TIME=876.718018
##TIC=50444.000000
##NPOINTS=2020
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783.589233398438, 1428.571415 785.241516113281, 1428.571415 785.429382324219, 1428.571415
788.46337890625, 1428.571415 790.271545410156, 1428.571415 790.962707519531, 1428.571415
791.402709960937, 1428.571415 797.020080566406, 1428.571415 799.292785644531, 1428.571415
799.457092285156, 1428.571415 800.708618164063, 1428.571415 802.581359863281, 1428.571415
804.494323730469, 1428.571415 805.5087890625, 1428.571415 806.511169433594, 1428.571415
807.107788085938, 1428.571415 808.454223632813, 1428.571415 808.517761230469, 2142.85717
809.089721679688, 1428.571415 822.851806640625, 1428.571415 823.877746582031, 1428.571415
829.45458984375, 1428.571415 
##SCAN_NUMBER=251
##RETENTION_TIME=905.911987
##TIC=48824.000000
##NPOINTS=1909
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##SCAN_NUMBER=252
##RETENTION_TIME=909.559998
##TIC=51121.000000
##NPOINTS=2020
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##SCAN_NUMBER=253
##RETENTION_TIME=913.208984
##TIC=51616.000000
##NPOINTS=2035
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840.431396484375, 714.285707 845.47900390625, 714.285707 846.401916503906, 714.285707
859.755554199219, 714.285707 
##SCAN_NUMBER=254
##RETENTION_TIME=916.859985
##TIC=50604.000000
##NPOINTS=1956
##XYDATA=(XY..XY)
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##TIC=55956.000000
##NPOINTS=2212
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493.29