##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=119096.609375
##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=75
##FIRSTX=108.06978607
##LASTX=665.03704834
##MAXX=10000.00000000
##MINX=3.37612844
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=3.37612844
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
108.069786071777, 3.376129 108.98836517334, 14.859799 111.006851196289, 60.406625
112.206634521484, 24.856347 113.439430236816, 14.753148 114.997108459473, 45.034724
119.109313964844, 7.555337 129.08512878418, 14.244968 134.979156494141, 800.677586
135.971832275391, 318.659019 136.919403076172, 354.833102 137.923080444336, 26.730597
139.071792602539, 68.522125 152.939819335938, 6.395126 154.993347167969, 125.211561
156.074020385742, 75.224417 156.965728759766, 90.353864 159.92008972168, 26.670384
160.969543457031, 53.389478 161.957183837891, 20.187247 172.963623046875, 10000
173.94384765625, 5708.570862 174.950942993164, 9253.556824 175.84162902832, 36.861065
178.940505981445, 5119.949722 179.960113525391, 3904.780197 180.956634521484, 5730.838013
190.947616577148, 4194.765472 191.960235595703, 2943.138695 192.991912841797, 5998.431778
193.907363891602, 9.922341 197.195861816406, 7.499246 198.004699707031, 11.198173
203.090133666992, 4.137945 205.014465332031, 12.51037 209.026519775391, 27.739114
213.038162231445, 6.043972 215.267333984375, 16.832417 216.961975097656, 28.976613
218.951354980469, 41.034853 221.173095703125, 22.897011 223.106109619141, 104.428637
225.076049804687, 22.931671 231.037414550781, 15.424928 240.351287841797, 66.505432
244.288299560547, 10.476075 249.098937988281, 10.959008 254.107116699219, 12.448669
262.975616455078, 15.172511 265.014801025391, 16.507471 266.976440429687, 25.843018
269.528594970703, 18.272436 270.907501220703, 36.291754 279.523529052734, 29.58647
283.008483886719, 10.326822 287.039611816406, 23.44211 293.150482177734, 41.81844
294.154174804687, 21.154153 297.393493652344, 10.906436 309.311187744141, 189.127588
311.134674072266, 93.159866 312.167144775391, 8.850028 313.153076171875, 4.935879
319.194702148438, 74.786139 323.013977050781, 4.160131 328.076110839844, 23.298702
333.018188476562, 18.087542 337.078216552734, 331.031108 338.064239501953, 153.722489
340.096984863281, 79.255521 355.136627197266, 69.679016 475.2431640625, 34.173936
492.898101806641, 25.786301 537.20703125, 12.229963 665.037048339844, 18.447936
##END=$$ End of the data block
