##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=20987.248047
##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=76
##FIRSTX=87.13761139
##LASTX=346.16610718
##MAXX=10000.00000000
##MINX=17.56792068
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=192.83564758
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
87.13761138916, 192.835653 89.165634155273, 45.7077 101.14111328125, 512.444592
105.01244354248, 47.029319 106.034118652344, 31.646973 107.086380004883, 63.528258
113.061828613281, 1066.965008 119.029235839844, 985.415363 121.050117492676, 155.779529
125.009994506836, 179.501295 130.959457397461, 150.799513 133.051345825195, 107.98502
135.047164916992, 114.855039 143.038192749023, 887.334824 145.062103271484, 270.202088
147.031799316406, 496.995926 148.951202392578, 10000 149.682373046875, 134.500992
151.051071166992, 102.27139 153.253692626953, 55.11443 159.011520385742, 292.443061
160.982009887695, 1160.928249 163.160552978516, 326.043987 165.063293457031, 93.503755
172.982421875, 639.508295 175.080169677734, 154.210937 175.955383300781, 58.005762
177.069488525391, 565.203428 179.001922607422, 4754.392624 184.997100830078, 98.055506
185.999282836914, 50.316679 186.971435546875, 225.745869 187.89192199707, 19.795774
189.002777099609, 344.372153 191.045349121094, 1242.54837 193.024017333984, 1988.889122
194.917022705078, 26.476449 203.032562255859, 501.336527 204.993408203125, 230.55582
207.06689453125, 48.275784 209.162231445313, 31.816486 215.119445800781, 149.109101
217.341278076172, 153.641248 218.166442871094, 109.890425 219.097808837891, 33.10464
221.069488525391, 534.717894 223.112426757812, 60.656244 232.969421386719, 640.740156
235.078765869141, 830.168247 237.924774169922, 41.415939 247.087860107422, 188.715971
251.031982421875, 283.748722 254.177947998047, 36.347508 255.112152099609, 104.482639
258.544952392578, 48.406085 263.154693603516, 31.317028 265.124176025391, 368.879819
266.114074707031, 70.376921 270.324005126953, 40.920785 277.093841552734, 277.612185
293.040649414062, 118.169582 295.00537109375, 384.999156 296.146850585937, 36.108205
307.158508300781, 166.17471 308.476806640625, 80.545992 309.181396484375, 17.567921
311.064910888672, 868.421555 311.765472412109, 81.332034 324.355407714844, 71.748549
325.082000732422, 147.713351 326.108367919922, 28.940123 327.009857177734, 118.625355
336.20556640625, 41.62249 337.127044677734, 323.291564 340.051147460938, 313.394308
346.166107177734, 139.321995 
##END=$$ End of the data block
