##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=2431679.000000
##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
$$ =====================================================
##NPOINTS=17
##FIRSTX=130.59152222
##LASTX=479.15582275
##MAXX=10000.00000000
##MINX=4.71059847
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=5.76432323
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
130.591522216797, 5.764323 158.918685913086, 26.435581 160.937576293945, 170.860016
179.030288696289, 29.226941 271.011505126953, 774.91889 273.077972412109, 27.624422
289.090270996094, 80.079973 331.210662841797, 7.612545 373.122314453125, 10.374816
391.113891601562, 6.009638 419.870758056641, 14.351059 429.068206787109, 16.76905
451.108917236328, 10000 452.251556396484, 49.519685 467.318206787109, 48.417485
469.591064453125, 4.710598 479.155822753906, 89.895189 
##END=$$ End of the data block
