##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=5368005.000000
##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=140
##FIRSTX=91.20501709
##LASTX=308.09008789
##MAXX=10000.00000000
##MINX=0.85884064
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=1.17929745
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
91.205017089844, 1.179297 95.136215209961, 1.088819 97.026458740234, 1.448381
105.121398925781, 6.310783 107.258728027344, 1.402099 109.108444213867, 2.662179
115.190376281738, 3.25852 117.312026977539, 1.250515 119.108154296875, 1.213867
121.000427246094, 5.759526 123.07502746582, 4.659237 125.054389953613, 0.863716
128.055114746094, 2.138842 129.197113037109, 1.368303 131.120361328125, 6.156015
133.085403442383, 12.126556 137.00634765625, 2.306648 139.116394042969, 2.387019
145.055725097656, 3.146052 148.093154907227, 1.330825 149.033142089844, 10.945868
150.100830078125, 3.301232 151.054718017578, 23.545298 151.99739074707, 11.67205
153.022842407227, 22.303376 154.064071655273, 1.571462 159.098892211914, 4.741227
160.063598632813, 1.03369 160.980560302734, 28.123736 162.219879150391, 0.868265
163.115325927734, 12.168971 164.055053710938, 6.832197 165.036804199219, 24.676563
166.035552978516, 7.866126 167.040786743164, 8.811859 171.034408569336, 2.103268
172.038604736328, 1.818449 173.099517822266, 6.368839 174.010498046875, 61.008817
175.114471435547, 12.416915 176.053436279297, 0.920409 176.977722167969, 109.567821
178.204437255859, 10.820666 179.066070556641, 77.915031 180.162857055664, 8.213987
181.09260559082, 3.29515 183.077758789062, 12.978168 184.060546875, 0.948913
187.073394775391, 18.305561 188.998779296875, 75.132889 189.984573364258, 11.713281
191.091064453125, 36.595634 192.352874755859, 3.346579 193.065490722656, 71.665603
194.040863037109, 4.04011 195.070465087891, 5.451272 197.047241210938, 12.661101
198.044555664062, 3.3826 198.923431396484, 3.387545 201.012023925781, 15.236951
203.213989257813, 10.314755 204.988647460937, 297.904301 205.998474121094, 53.100228
207.011138916016, 216.85698 207.978302001953, 115.715468 208.994018554688, 36.13413
210.050231933594, 1.851987 211.1171875, 94.250059 212.060607910156, 7.941581
213.071105957031, 6.210081 215.046630859375, 22.047776 217.007110595703, 283.563137
218.00341796875, 81.700361 218.994476318359, 73.297483 220.260528564453, 36.970302
221.00830078125, 1319.001007 222.015655517578, 225.396681 223.015930175781, 157.742894
224.112487792969, 15.354662 224.983032226562, 1.769816 227.117065429687, 5.501041
229.160217285156, 25.489169 230.020812988281, 5.158758 231.047760009766, 11.987422
232.068328857422, 8.018643 233.014801025391, 536.532164 234.022338867188, 977.030849
235.020050048828, 10000 236.006103515625, 948.485947 237.0390625, 14.719366
239.092651367188, 22.692612 239.951721191406, 1.653488 241.229034423828, 2.723623
242.110961914062, 7.099193 243.102081298828, 30.219981 244.165679931641, 6.166597
245.169738769531, 10.659674 246.164093017578, 15.293063 247.065948486328, 268.49606
248.146636962891, 33.335963 249.020965576172, 218.177795 250.022766113281, 29.937458
251.186218261719, 10.594073 252.215728759766, 7.081658 254.309661865234, 1.847476
255.418273925781, 6.28076 256.084350585938, 42.063671 257.048828125, 1403.067589
258.124969482422, 194.156981 259.031433105469, 3650.975418 260.034027099609, 493.962574
261.157043457031, 90.171212 262.176147460938, 16.205618 263.251312255859, 10.885732
264.110595703125, 5.60482 265.155914306641, 13.386822 266.166870117187, 5.250045
270.246765136719, 1.209456 271.074371337891, 61.396354 272.210205078125, 4.266262
273.122344970703, 51.588827 274.071105957031, 753.02 275.046875, 310.483885
276.114837646484, 23.046219 276.967712402344, 10.154384 278.110626220703, 5.477403
279.095550537109, 15.219785 282.350372314453, 3.592091 286.337890625, 3.998207
289.079620361328, 8495.602417 290.081665039063, 1128.599739 292.001281738281, 600.716686
293.081207275391, 76.682693 294.485870361328, 2.902844 295.5029296875, 2.861349
296.320190429687, 0.93139 298.158386230469, 0.858841 303.039093017578, 1.342323
307.091888427734, 245.853949 308.090087890625, 42.528856 
##END=$$ End of the data block
