##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=139510.015625
##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
$$ =====================================================
##NPOINTS=30
##FIRSTX=267.90637207
##LASTX=618.97271729
##MAXX=10000.00000000
##MINX=1.50836432
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=289.26599121
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
267.906372070312, 289.26599 282.973693847656, 6358.515549 284.514709472656, 2.195185
304.986694335937, 2.412976 307.0751953125, 2.376675 320.787170410156, 2.594388
342.999877929687, 2.13439 353.048767089844, 2.48998 364.723083496094, 1.749918
367.080261230469, 2.328319 432.743957519531, 1.960398 473.063781738281, 1.881673
500.478576660156, 2.287035 515.122375488281, 2.766636 535.929870605469, 3.299572
550.183166503906, 1.512843 550.783569335938, 1.894849 554.237670898438, 2.349827
560.876281738281, 1.85227 565.351806640625, 4.274566 568.605834960938, 11.098699
569.576538085937, 8.505677 578.742797851562, 3.334418 588.226440429688, 6.694349
589.4423828125, 73.933083 590.987487792969, 10000 592.533081054687, 3.457882
601.020446777344, 2.502499 610.595520019531, 3.60949 618.972717285156, 1.508364
##END=$$ End of the data block
