##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=9825923.000000
##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=98
##FIRSTX=127.01657104
##LASTX=402.68725586
##MAXX=10000.00000000
##MINX=0.16963221
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=0.49468592
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
127.016571044922, 0.494686 140.984954833984, 0.266732 143.842315673828, 0.279541
145.057067871094, 1.927958 155.177856445313, 0.199303 156.020980834961, 0.413864
159.189804077148, 0.78817 162.935424804687, 0.2534 165.585296630859, 0.193301
167.255554199219, 0.386614 175.004211425781, 2.785669 177.2255859375, 0.479254
181.035873413086, 0.792344 183.110595703125, 0.715938 185.212600708008, 1.552929
187.078140258789, 8.657157 188.164367675781, 0.444864 189.077209472656, 0.758162
191.024780273438, 0.521031 193.002532958984, 0.274651 195.068359375, 0.40527
199.056976318359, 0.214169 200.032440185547, 0.18378 201.224426269531, 3.66401
203.114639282227, 0.578396 207.077026367187, 0.792505 209.084884643555, 0.647224
211.024719238281, 0.379739 213.065734863281, 1.412032 217.918518066406, 0.193307
227.25260925293, 1.458092 229.077911376953, 214.545536 230.199493408203, 0.601264
235.658264160156, 0.611181 239.055450439453, 1.390714 240.331878662109, 0.404975
241.185485839844, 0.283555 247.0849609375, 10000 248.330352783203, 5.23002
248.938629150391, 2.254979 250.078430175781, 0.903531 251.220031738281, 0.491216
255.183013916016, 0.884623 256.417785644531, 0.22082 259.237213134766, 1.316799
262.213287353516, 0.546486 262.957305908203, 0.181634 264.017333984375, 0.33201
269.263671875, 0.476159 271.167999267578, 1.260312 275.219024658203, 0.49982
277.404907226562, 1.017496 288.154388427734, 0.923395 289.174072265625, 7.941251
289.908782958984, 0.518976 291.282196044922, 0.425392 300.184722900391, 0.311278
301.214965820313, 0.176243 304.260589599609, 0.347199 307.211944580078, 0.21162
308.435974121094, 0.523184 309.06005859375, 0.510153 312.315063476562, 0.811278
313.219848632813, 1.460927 318.278259277344, 0.489227 321.955139160156, 0.537284
323.36474609375, 0.454448 324.216644287109, 0.771645 331.34716796875, 1.123388
332.268341064453, 1.137723 335.196685791016, 0.169632 343.214752197266, 0.334864
345.323699951172, 0.47367 346.053527832031, 0.195397 347.790008544922, 0.416062
349.125213623047, 0.75859 350.180389404297, 0.949176 355.097106933594, 0.686701
359.172210693359, 0.177608 361.462493896484, 1.456331 363.368438720703, 2.746618
365.083923339844, 1.445064 366.144317626953, 0.904715 367.171020507813, 0.230783
372.252044677734, 0.859346 373.193450927734, 0.719115 374.111328125, 0.352871
376.179077148438, 0.218262 377.207427978516, 1.25455 381.324096679687, 1.161627
384.746887207031, 0.806699 386.109588623047, 0.599277 390.162078857422, 2.73784
391.234344482422, 17.144303 392.285461425781, 1.692246 394.129821777344, 0.316598
400.047637939453, 1.189369 402.687255859375, 1.010627 
##END=$$ End of the data block
