##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=1238329.500000
##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
$$ =====================================================
##NPOINTS=13
##FIRSTX=161.04180908
##LASTX=479.08511353
##MAXX=10000.00000000
##MINX=4.56068134
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=97.98748779
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
161.041809082031, 97.987485 271.049591064453, 731.367922 273.1337890625, 41.449803
289.119934082031, 24.830586 331.104583740234, 8.007291 331.850311279297, 13.415249
362.645782470703, 21.227142 391.3486328125, 29.413003 433.557739257813, 4.560681
437.156494140625, 12.469982 451.138824462891, 10000 452.434448242188, 6.967196
479.085113525391, 14.477272 
##END=$$ End of the data block
