##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=88007952.000000
##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
$$ =====================================================
##NPOINTS=50
##FIRSTX=131.15356445
##LASTX=436.09786987
##MAXX=10000.00000000
##MINX=0.28851068
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=0.30920586
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
131.153564453125, 0.309206 163.109558105469, 0.391925 189.048843383789, 1.359562
191.026123046875, 0.610713 192.077056884766, 0.541393 201.022125244141, 0.762978
203.089752197266, 20.931399 204.096618652344, 1.114328 204.978729248047, 1.895189
213.247207641602, 0.564823 215.019317626953, 0.698502 216.083877563477, 10.34336
217.077911376953, 9.451565 218.048446655273, 1.240552 218.997848510742, 31.17851
219.638885498047, 1.595254 220.433380126953, 0.69857 230.212524414062, 0.522404
231.035140991211, 69.065404 231.866165161133, 0.288511 233.169525146484, 0.707987
241.100158691406, 4.770702 241.854827880859, 0.49104 243.081268310547, 17.980656
244.097991943359, 0.715093 245.090057373047, 36.265323 255.092071533203, 0.458137
258.200347900391, 14.699665 259.099395751953, 39.167857 259.897338867188, 0.956486
271.170318603516, 0.461272 273.059051513672, 641.31093 273.699493408203, 43.183616
275.790191650391, 2.253452 277.170715332031, 38.172287 291.100402832031, 10000
292.756530761719, 2.499969 293.420440673828, 0.570288 331.540405273438, 0.319397
333.142272949219, 37.44272 333.955718994141, 0.469865 361.111297607422, 0.345167
363.248016357422, 11.199099 393.291229248047, 0.50452 399.231414794922, 2.955871
403.246063232422, 2.689889 417.244171142578, 7.678623 421.181701660156, 21.086432
435.130767822266, 25.32014 436.097869873047, 1.575949 
##END=$$ End of the data block
