##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=274827.375000
##DATA TYPE=MASS SPECTRUM
##DATA CLASS=PEAK TABLE
##ORIGIN=
##OWNER=
##.IONIZATION MODE=ESI+
##SPECTROMETER/DATA SYSTEM=Orbitrap Elite/Orbitrap Elite
$$ =====================================================
$$ Start of Advanced Chemistry Development specific data
$$ =====================================================
##$ACD DATA TYPE=c
##$MS_FRAGMENTS=ACDTABLE(Fragment,Formula,Label,mzCalc,mzExp,TICCalc,TICExp,RICalc,AQI,RDBE)

$$ =====================================================
$$ End of Advanced Chemistry Development specific data
$$ =====================================================
##NPOINTS=19
##FIRSTX=239.17179871
##LASTX=805.34149170
##MAXX=10000.00000000
##MINX=24.17498207
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=24.17498207
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
239.171798706055, 24.174982 249.272735595703, 69.962126 259.340576171875, 44.605714
265.331665039063, 101.916027 275.762420654297, 26.990956 307.275512695313, 93.366224
317.258087158203, 31.884009 379.312805175781, 116.032171 389.441131591797, 80.238694
407.564880371094, 324.922824 409.508514404297, 73.807299 435.499267578125, 248.132396
438.290802001953, 41.526279 453.39306640625, 10000 454.604675292969, 188.385427
471.456970214844, 752.889729 647.437866210937, 2437.328529 787.595581054687, 27.458072
805.341491699219, 106.430042 
##END=$$ End of the data block
