##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=22755168.000000
##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
$$ =====================================================
##NPOINTS=50
##FIRSTX=145.08993530
##LASTX=436.22744751
##MAXX=10000.00000000
##MINX=0.25995332
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=0.36224699
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
145.089935302734, 0.362247 160.189407348633, 0.621672 163.1865234375, 0.352672
192.021926879883, 1.782204 203.057556152344, 21.804225 205.092697143555, 2.540622
212.044311523437, 0.688175 213.231521606445, 0.259953 215.099639892578, 0.387045
216.060089111328, 10.145541 217.079223632813, 5.004109 217.950622558594, 1.571445
219.03791809082, 29.147968 220.04719543457, 0.388231 226.044799804687, 0.443868
231.005523681641, 70.832962 231.724914550781, 4.093743 233.294158935547, 1.760287
240.188018798828, 0.598293 241.039855957031, 5.662465 243.175384521484, 14.108503
243.931182861328, 0.604259 245.171783447266, 27.0446 246.117736816406, 0.594644
255.095489501953, 1.04381 258.083312988281, 12.376606 259.127838134766, 35.598469
259.755798339844, 0.344242 273.117828369141, 712.983084 274.162536621094, 6.135802
276.15087890625, 4.386095 277.060821533203, 42.4016 277.7529296875, 1.293559
289.232208251953, 0.31897 291.135162353516, 10000 293.729675292969, 0.947906
333.153717041016, 38.836196 334.206359863281, 0.400111 363.358032226562, 5.530566
371.199188232422, 0.317353 375.282318115234, 1.438316 387.367797851562, 0.317604
393.133056640625, 0.271337 399.186767578125, 5.857986 403.143371582031, 3.952347
417.285247802734, 4.667632 421.114135742187, 11.516921 422.347320556641, 1.526099
435.181518554687, 31.560203 436.227447509766, 1.349331 
##END=$$ End of the data block
