##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=15697907.000000
##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=177
##FIRSTX=135.04219055
##LASTX=452.18798828
##MAXX=10000.00000000
##MINX=0.29925194
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=0.36744729
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
135.042190551758, 0.367447 145.035095214844, 2.138994 147.066787719727, 0.925457
149.11181640625, 1.281217 151.01025390625, 0.626438 153.194747924805, 0.570219
159.035751342773, 2.987584 160.131774902344, 0.736117 161.004638671875, 2.56941
161.970336914062, 0.389871 165.118118286133, 1.685495 166.09049987793, 0.914653
167.037109375, 1.661023 169.128158569336, 0.49531 174.080383300781, 1.611074
175.084518432617, 2.6947 177.08332824707, 2.352123 179.032653808594, 3.629991
185.196075439453, 0.543943 186.155517578125, 0.321873 187.021636962891, 2.342537
187.871276855469, 0.698907 189.028030395508, 15.068935 190.179534912109, 1.233981
191.127075195312, 5.641228 191.990310668945, 0.499124 193.184600830078, 1.327881
194.083389282227, 1.026711 197.119842529297, 2.699739 197.929962158203, 0.888368
198.971282958984, 0.898605 200.276214599609, 0.434938 201.112930297852, 4.498361
202.085372924805, 0.853067 202.977111816406, 1.843524 204.006927490234, 0.396759
205.063049316406, 5.595996 206.13818359375, 1.179974 206.989044189453, 4.65509
209.190093994141, 0.981658 210.122222900391, 0.407102 210.983947753906, 2.852864
212.263427734375, 2.870161 213.066162109375, 6.956559 214.176391601563, 0.894175
215.062072753906, 0.299252 216.257049560547, 1.658402 217.133499145508, 8.968534
218.177032470703, 5.120387 219.072570800781, 30.25139 220.049377441406, 0.893671
220.991241455078, 14.603727 222.09814453125, 1.972129 223.087097167969, 5.85827
224.17903137207, 0.683722 225.117065429687, 2.595539 226.176391601562, 0.415092
227.316009521484, 0.439427 228.227996826172, 2.992264 229.154449462891, 1.752444
230.084869384766, 1.319836 231.063201904297, 5.366908 231.923004150391, 1.708291
233.062286376953, 20.339954 234.137252807617, 11.164927 235.016906738281, 166.216207
236.153549194336, 2.774338 241.054916381836, 1.183634 243.038513183594, 51.117766
243.966552734375, 3.044318 245.039245605469, 2.500919 246.974151611328, 21.889086
247.912658691406, 1.711756 249.160980224609, 9.458686 251.009552001953, 36.052051
251.617523193359, 2.36067 253.037719726562, 0.552705 255.154724121094, 1.436484
256.976531982422, 19.542606 257.929534912109, 2.606735 259.016632080078, 55.399489
259.874053955078, 1.824523 261.069244384766, 138.928783 262.020324707031, 6.495629
263.176635742187, 1.776038 265.173126220703, 0.527911 269.099945068359, 0.641532
271.271759033203, 3.417296 272.169738769531, 10.267641 273.109069824219, 17.947613
274.043151855469, 17.250673 275.100738525391, 4.783516 275.94091796875, 0.782468
277.105773925781, 1.221994 278.278167724609, 0.406621 279.190643310547, 0.755199
285.473541259766, 1.227377 287.068786621094, 1.306909 289.093688964844, 362.551236
290.116363525391, 281.971741 291.116088867188, 255.111098 292.1103515625, 15.818109
293.1171875, 4.205715 297.173553466797, 0.733014 301.167388916016, 1.040119
302.068420410156, 0.719449 303.178253173828, 8.106565 305.110504150391, 17.593773
307.108245849609, 10000 308.093688964844, 228.014112 309.247436523438, 3.035787
313.075469970703, 1.684859 314.990539550781, 1.964224 317.167114257813, 8.286057
319.133178710937, 10.356968 321.188201904297, 0.800982 322.362701416016, 0.785949
325.109588623047, 2.286717 327.300872802734, 1.13346 329.209442138672, 0.901395
330.520263671875, 0.635495 331.162506103516, 12.148681 332.11572265625, 1.322199
333.200500488281, 0.723168 335.17138671875, 11.251164 337.093841552734, 0.442285
339.434387207031, 0.31028 341.230926513672, 1.45269 343.195617675781, 4.123002
345.117584228516, 1.388472 346.262939453125, 1.313844 347.040100097656, 1.224162
349.112640380859, 49.625266 350.153930664063, 2.378593 355.229125976562, 0.367419
357.182922363281, 0.416374 359.223754882812, 1.930893 361.084045410156, 11.030933
363.276916503906, 0.757321 365.147674560547, 1.404894 367.149871826172, 0.812738
369.29638671875, 1.208636 372.598541259766, 1.578 373.221160888672, 6.477033
379.138916015625, 50.57233 380.028991699219, 1.62913 381.078979492188, 0.351075
385.229919433594, 2.424435 387.2177734375, 2.807492 388.061706542969, 1.192208
390.319519042969, 0.345194 391.130706787109, 4.200469 396.151245117188, 5.02662
397.131530761719, 376.504922 398.221069335938, 7.95431 403.317413330078, 1.730419
404.244293212891, 1.454628 406.211486816406, 0.650638 407.096649169922, 1.516891
408.164733886719, 2.057811 409.1728515625, 38.451102 410.162353515625, 2.644979
411.207122802734, 4.906999 412.337036132813, 1.288839 415.148315429687, 10.159211
416.152038574219, 0.465167 418.179412841797, 0.554313 421.178283691406, 2.306111
422.185089111328, 0.611484 423.302917480469, 2.014076 433.067108154297, 16.869538
433.905639648438, 1.105591 436.305755615234, 8.798503 437.405975341797, 0.80348
439.182861328125, 1.274364 451.159271240234, 349.754405 452.18798828125, 20.614107
##END=$$ End of the data block
