##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=2502987.000000
##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
$$ =====================================================
##NPOINTS=18
##FIRSTX=160.98562622
##LASTX=479.12588501
##MAXX=10000.00000000
##MINX=5.95601654
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=42.75104141
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
160.985626220703, 42.751041 179.043090820312, 62.38901 271.021057128906, 857.365608
271.789916992187, 5.956016 273.053192138672, 63.6356 273.932006835937, 18.661501
289.048675537109, 25.962055 331.113555908203, 19.337088 391.125030517578, 12.807368
406.214599609375, 12.729777 419.12060546875, 11.680137 437.129211425781, 70.901167
451.090057373047, 10000 451.931640625, 140.920472 452.684326171875, 28.517881
467.235076904297, 37.694627 468.079254150391, 6.375504 479.125885009766, 40.130505
##END=$$ End of the data block
