##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=5663743.000000
##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=81
##FIRSTX=67.14598846
##LASTX=224.24371338
##MAXX=10000.00000000
##MINX=0.76320875
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=3.33069515
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
67.145988464355, 3.330695 69.082168579102, 1.07116 72.99674987793, 2.482088
77.123443603516, 3.610407 79.040748596191, 24.062765 81.078071594238, 122.139227
83.137771606445, 7.857489 91.105682373047, 22.985022 93.138824462891, 49.320638
95.137237548828, 135.462236 95.852821350098, 0.998158 97.064453125, 3.404539
105.02367401123, 85.715723 107.043716430664, 73.736167 109.044960021973, 18.479687
111.044509887695, 2.920996 113.082260131836, 2.981774 117.006820678711, 63.218385
119.061637878418, 112.214708 121.076148986816, 30.635139 123.060104370117, 8.609626
125.036270141602, 7.668887 128.995239257813, 59.458172 130.995376586914, 877.90184
131.926162719727, 7.098607 133.036956787109, 49.78894 134.164031982422, 1.832599
135.076080322266, 13.614476 137.013122558594, 67.659509 139.061065673828, 16.765739
141.042938232422, 1.73829 142.997299194336, 271.708155 145.0234375, 1976.637268
146.377197265625, 9.262256 147.111282348633, 52.133691 148.953277587891, 48.003331
150.996795654297, 168.902147 153.043975830078, 5.558174 155.000778198242, 207.239437
157.007019042969, 445.552111 157.938949584961, 10.070649 159.033630371094, 317.068839
160.98567199707, 107.096934 162.994079589844, 45.029694 163.965850830078, 0.986365
165.052062988281, 7.508567 167.098999023438, 14.07539 169.114501953125, 57.066983
171.021423339844, 259.364247 171.936187744141, 2.289099 173.117950439453, 36.650097
175.003784179687, 667.976761 176.002838134766, 5.202419 177.101654052734, 18.118015
180.063598632812, 3.265443 183.011596679687, 49.668148 183.66650390625, 3.565536
185.072784423828, 10000 187.096954345703, 2384.530258 187.9794921875, 4.987365
189.030700683594, 454.945087 190.016174316406, 4.037701 191.024810791016, 3.219789
192.902404785156, 0.96097 195.047271728516, 1574.027824 196.358367919922, 1.717772
198.089447021484, 11.295269 201.108276367188, 6.966765 203.067810058594, 1033.431721
204.17529296875, 2.210266 205.225524902344, 1.05307 208.499420166016, 2.494512
210.498748779297, 1.152097 211.111694335938, 1.697032 213.048492431641, 4411.626053
213.897247314453, 9.987388 214.987060546875, 3.774627 216.088409423828, 4.272116
218.035339355469, 0.763209 220.10986328125, 2.165541 224.243713378906, 1.287236
##END=$$ End of the data block
