##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=16707993.000000
##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=144
##FIRSTX=91.06732178
##LASTX=308.08978271
##MAXX=10000.00000000
##MINX=0.84144342
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=2.18650770
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
91.067321777344, 2.186508 93.225883483887, 1.057469 94.094375610352, 1.164804
95.095275878906, 1.85512 103.035186767578, 3.130422 105.102355957031, 3.147453
106.994186401367, 2.357767 108.168609619141, 1.195767 109.188781738281, 3.517941
111.107292175293, 1.813251 117.156379699707, 1.966689 117.991638183594, 1.042076
119.023338317871, 1.205027 120.980850219727, 6.428592 122.318069458008, 1.610254
124.964462280273, 2.643055 128.166046142578, 3.085152 131.099151611328, 1.130366
133.059951782227, 17.922468 134.071640014648, 1.097898 136.241516113281, 3.532867
137.020553588867, 4.897017 138.946899414063, 13.357174 141.027481079102, 0.99788
143.023956298828, 1.759358 144.306915283203, 1.474238 145.563201904297, 15.349293
146.814300537109, 5.663604 149.198669433594, 4.735462 151.053756713867, 14.363168
152.129302978516, 9.945315 153.110763549805, 13.925235 155.095031738281, 4.923599
159.113433837891, 3.429538 160.087966918945, 0.975747 161.065887451172, 31.929675
162.335906982422, 3.619549 163.045532226562, 12.440149 163.851165771484, 0.841443
165.131927490234, 31.348479 166.183837890625, 13.936771 167.076782226562, 14.646696
168.081207275391, 2.056278 171.163162231445, 1.073255 173.193359375, 3.448713
174.057403564453, 37.664783 175.119567871094, 15.482312 176.097534179687, 12.22948
177.03288269043, 82.553124 178.134689331055, 8.315523 179.07861328125, 70.262331
180.09309387207, 3.516707 180.997955322266, 0.876891 183.095642089844, 16.76462
184.163391113281, 1.225707 185.417602539062, 2.071874 186.140563964844, 1.78526
187.046722412109, 6.694148 189.001312255859, 78.502899 190.084350585938, 4.885137
191.045989990234, 55.627257 192.950134277344, 83.641738 193.950180053711, 9.188426
195.199279785156, 5.216357 197.08837890625, 11.015687 198.010314941406, 8.054758
199.856292724609, 2.899506 201.097076416016, 28.682303 202.176391601562, 1.619812
203.063262939453, 5.787699 204.982513427734, 277.54364 206.097961425781, 54.514521
207.006530761719, 191.194248 207.989532470703, 79.23165 209.053009033203, 15.288825
209.941314697266, 2.592326 211.035675048828, 68.635768 212.154174804687, 7.189126
213.046203613281, 8.687957 214.015930175781, 3.778492 215.053283691406, 5.629145
217.00439453125, 289.814878 218.035705566406, 61.0008 218.974182128906, 56.128484
220.160552978516, 36.601815 221.004089355469, 1239.352989 221.999664306641, 233.010721
222.997985839844, 155.554378 224.055908203125, 7.419515 225.178375244141, 11.515376
229.120086669922, 16.634013 230.152008056641, 3.070143 231.254852294922, 16.533738
232.983062744141, 436.568213 234.017822265625, 954.13723 235.019683837891, 10000
236.004943847656, 869.739056 237.130249023438, 18.320933 237.868835449219, 1.25215
239.096771240234, 28.857562 240.014495849609, 4.943432 241.114471435547, 2.155
241.950500488281, 12.484117 243.124786376953, 16.447333 243.839294433594, 1.627232
245.156951904297, 6.889126 246.180114746094, 34.870791 247.038391113281, 233.302212
248.059631347656, 33.880517 249.035766601562, 218.483734 250.09326171875, 26.658282
251.043548583984, 2.594459 254.990112304688, 4.673522 256.07177734375, 36.808908
257.052276611328, 1351.422215 258.084930419922, 160.87079 259.039611816406, 3632.76062
260.049224853516, 433.778667 261.106140136719, 56.54521 262.14794921875, 20.608014
263.120513916016, 14.203902 264.096618652344, 1.081264 265.180877685547, 6.228692
266.358703613281, 2.028915 271.128143310547, 47.796735 272.176818847656, 8.115819
273.204925537109, 69.883156 274.046295166016, 759.398508 275.055572509766, 278.672695
276.115264892578, 27.218673 277.059448242187, 1.690443 278.083709716797, 1.137353
279.060668945313, 13.272277 281.663757324219, 3.224838 282.957824707031, 3.139897
289.091461181641, 8202.088928 290.088439941406, 1002.877331 290.986877441406, 25.179332
292.05615234375, 473.990345 293.026214599609, 73.000753 294.113128662109, 1.869701
296.644134521484, 1.141617 307.108184814453, 232.379985 308.089782714844, 48.187152
##END=$$ End of the data block
