##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=760908.187500
##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
$$ =====================================================
##NPOINTS=37
##FIRSTX=241.95797729
##LASTX=594.08911133
##MAXX=10000.00000000
##MINX=0.34054747
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=1.31165624
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
241.957977294922, 1.311656 270.046844482422, 6.035505 285.011566162109, 2120.621109
286.316009521484, 1.486704 297.134155273438, 1.805919 308.920227050781, 0.761551
327.067199707031, 8.387709 351.057922363281, 5.825904 355.205718994141, 0.461138
376.959197998047, 0.919286 381.147338867188, 0.655918 395.069000244141, 24.948704
395.684234619141, 1.720391 411.207275390625, 0.516526 413.029235839844, 16.865425
413.684020996094, 0.340547 429.114074707031, 4.461662 431.004943847656, 47.230476
431.932006835938, 2.074104 445.116455078125, 15.83949 447.021789550781, 10000
448.820251464844, 3.220857 471.016784667969, 0.522892 477.167724609375, 0.672791
488.107299804687, 0.527737 489.09130859375, 3.668078 497.021179199219, 0.587597
502.95166015625, 0.506005 531.111633300781, 1.033308 551.092102050781, 0.606311
557.099060058594, 6.023073 565.992492675781, 1.135565 575.089111328125, 8.062164
578.091430664062, 1.508475 592.029663085938, 0.830869 593.044494628906, 6.35682
594.089111328125, 3.662859 
##END=$$ End of the data block
