##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=204628.250000
##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
$$ =====================================================
##NPOINTS=25
##FIRSTX=107.02530670
##LASTX=339.46936035
##MAXX=10000.00000000
##MINX=10.00329781
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=44.58169937
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
107.02530670166, 44.581699 111.022438049316, 32.186332 124.217391967773, 11.907145
132.944351196289, 22.867061 134.936904907227, 39.62014 145.007446289062, 413.042259
157.990631103516, 69.965202 162.946151733398, 10000 164.046112060547, 14.656119
181.127380371094, 15.364914 197.093978881836, 10.368958 204.092926025391, 24.389602
249.072235107422, 26.884896 251.487213134766, 25.043613 267.019226074219, 606.43959
274.012481689453, 60.517716 284.972869873047, 16.929002 287.346527099609, 10.003298
306.624969482422, 51.827347 308.015655517578, 19.232444 310.096160888672, 26.624817
327.112091064453, 32.425007 337.083251953125, 202.669692 338.163726806641, 27.972075
339.469360351562, 15.393589 
##END=$$ End of the data block
