##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=31727824.000000
##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
$$ =====================================================
##NPOINTS=57
##FIRSTX=141.10859680
##LASTX=435.20291138
##MAXX=10000.00000000
##MINX=0.27059609
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=1.18525481
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
141.108596801758, 1.185255 145.136901855469, 0.270596 157.124435424805, 0.371878
158.052459716797, 0.335974 175.059173583984, 0.284973 189.593811035156, 0.520828
191.111572265625, 1.030814 191.874938964844, 0.275894 203.02685546875, 14.501077
203.908493041992, 0.289128 205.100708007812, 7.308397 207.069900512695, 0.417502
215.375518798828, 2.137564 216.09538269043, 6.918512 217.103866577148, 7.010028
217.982727050781, 1.726291 219.034393310547, 33.937335 226.084716796875, 0.673712
229.060653686523, 0.697519 231.019409179688, 72.05435 233.19482421875, 1.118664
241.075134277344, 5.703824 243.000579833984, 19.603272 245.146575927734, 25.0222
248.012939453125, 0.540948 251.33740234375, 0.681709 255.105651855469, 0.714648
257.096649169922, 0.883667 258.138977050781, 7.506753 259.088043212891, 43.030232
267.093170166016, 0.495231 273.110107421875, 667.200279 274.183532714844, 8.760621
276.103698730469, 0.83011 277.087219238281, 39.068103 278.133697509766, 1.050824
291.128692626953, 10000 292.724029541016, 4.884682 294.627349853516, 0.416432
325.177124023438, 0.536853 329.197875976562, 0.756514 332.122741699219, 0.558313
333.120239257812, 47.801253 333.874267578125, 1.497965 334.603851318359, 0.322133
363.198089599609, 9.35884 375.156494140625, 2.179421 381.252655029297, 1.33133
385.256652832031, 0.460178 393.375152587891, 2.422389 399.1630859375, 4.840282
400.108184814453, 0.373171 403.196044921875, 3.240298 417.207702636719, 2.86636
421.183074951172, 18.889481 422.510894775391, 0.289884 435.202911376953, 33.943912
##END=$$ End of the data block
