##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=181069.156250
##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=110
##FIRSTX=103.13323975
##LASTX=358.15817261
##MAXX=10000.00000000
##MINX=10.39223099
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=23.33720207
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
103.133239746094, 23.337202 105.064468383789, 27.536318 111.230728149414, 10.392231
113.122055053711, 132.794952 115.024658203125, 693.154335 121.028060913086, 170.533025
125.094055175781, 24.378447 131.075408935547, 176.571131 133.066864013672, 364.368844
133.862930297852, 10.996985 134.926910400391, 18.753639 136.017517089844, 15.644813
139.026885986328, 10.927463 140.184463500977, 17.578672 145.005142211914, 39.939278
147.040100097656, 16.626462 149.008514404297, 1094.733047 151.092269897461, 93.505967
157.101623535156, 26.768854 158.084014892578, 38.834369 159.339935302734, 46.364999
160.79150390625, 35.075894 163.862670898438, 50.323045 168.094116210938, 11.979212
173.102142333984, 51.191813 177.00341796875, 3030.978775 177.850463867187, 21.845934
180.159790039062, 47.380745 181.295166015625, 34.668338 182.469360351562, 23.345192
187.063781738281, 16.720638 192.017608642578, 22.842646 193.483306884766, 16.450663
194.992462158203, 10000 200.146789550781, 26.147798 201.062225341797, 15.567905
204.991027832031, 21.752045 207.044219970703, 15.804663 208.419570922852, 13.10377
209.188110351562, 48.925322 210.109725952148, 131.453252 211.897857666016, 27.634761
213.106781005859, 27.721471 217.134613037109, 17.07695 219.193634033203, 18.583041
220.999725341797, 47.563946 225.187072753906, 51.581144 226.553436279297, 61.044002
227.190063476562, 113.767719 227.99755859375, 50.326693 233.017028808594, 14.51681
237.009674072266, 15.010013 239.805511474609, 10.890784 243.136901855469, 36.585358
245.077087402344, 925.655556 252.117645263672, 32.646793 255.005249023437, 45.923957
256.079406738281, 32.203728 257.154235839844, 19.547606 260.584777832031, 43.812054
261.333831787109, 81.95563 267.208038330078, 60.279936 268.117614746094, 61.435425
269.111938476563, 149.57248 270.074401855469, 13.561536 271.079803466797, 55.415326
273.240875244141, 55.406427 276.340545654297, 31.534076 278.887817382813, 19.250473
283.419097900391, 39.465594 285.208862304688, 103.862762 286.060760498047, 21.211082
288.137145996094, 56.632239 291.099639892578, 105.340791 294.985748291016, 69.192839
296.299774169922, 40.591142 297.192962646484, 36.028376 298.267761230469, 59.756589
299.744659423828, 27.447605 301.300598144531, 27.373227 302.075073242188, 25.463986
303.040100097656, 90.370023 308.072052001953, 15.78887 309.317413330078, 13.334689
311.387390136719, 106.807601 312.368347167969, 225.366569 313.111236572266, 471.319056
314.173156738281, 57.99005 317.146911621094, 38.683328 321.209930419922, 56.793123
322.508422851562, 34.141132 325.119842529297, 20.425764 326.146484375, 25.099063
327.133636474609, 102.257395 328.105072021484, 98.711783 329.389587402344, 132.084489
330.338195800781, 37.986523 331.209136962891, 41.835248 334.833770751953, 128.142726
335.633239746094, 106.57407 338.105102539063, 40.662515 339.080108642578, 707.029247
340.154541015625, 294.299173 341.142425537109, 86.778563 342.181243896484, 104.376245
348.725708007812, 120.642626 350.157501220703, 24.503137 356.312286376953, 141.394353
357.508605957031, 51.153392 358.158172607422, 36.529103 
##END=$$ End of the data block
