##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=65049.855469
##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=106
##FIRSTX=121.01612854
##LASTX=427.08584595
##MAXX=10000.00000000
##MINX=1.03096986
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=3.15349579
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
121.016128540039, 3.153496 127.169723510742, 18.847266 136.931777954102, 116.809285
137.631439208984, 2.626536 143.10807800293, 3.47624 145.003570556641, 10.116785
147.031280517578, 8.228418 149.034057617188, 31.291521 155.02490234375, 20.728832
163.147506713867, 3.532235 165.351638793945, 2.444981 167.222213745117, 2.815265
171.185424804687, 9.498885 184.162796020508, 1.268776 185.143859863281, 4.958315
187.325012207031, 4.478448 197.013488769531, 9.01693 201.254241943359, 9.470568
203.206436157227, 6.405947 209.046875, 4.29628 210.983947753906, 19.918455
217.217834472656, 2.586344 221.037353515625, 2.159823 229.129913330078, 23.001924
233.170928955078, 17.178507 238.167205810547, 5.161326 239.129241943359, 37.963441
242.082458496094, 3.559345 247.238372802734, 14.727892 249.155059814453, 2.621136
252.128479003906, 2.331224 253.009735107422, 4.506146 255.065765380859, 1009.510517
256.085357666016, 1084.602642 257.079681396484, 10000 258.231964111328, 20.240833
261.379455566406, 1.223621 263.044769287109, 7.270219 265.160003662109, 4.137827
268.932098388672, 1.03097 271.214691162109, 3.983295 274.103179931641, 3.495837
275.179229736328, 25.591099 276.221374511719, 1.435368 278.200256347656, 9.023904
281.045257568359, 93.288612 281.697631835937, 4.97852 283.081512451172, 6.02627
284.308502197266, 1.817249 292.3662109375, 2.407 293.205230712891, 26.925054
295.161315917969, 1.554095 297.077514648438, 2.527122 298.156036376953, 16.465534
299.047637939453, 515.204573 299.938262939453, 19.304718 303.217712402344, 2.288523
308.066558837891, 6.744147 309.113616943359, 11.211003 315.013977050781, 14.119573
319.173217773438, 2.889247 320.983703613281, 7.520402 323.174682617188, 121.937013
324.209808349609, 1.533303 329.543853759766, 3.214567 336.115051269531, 3.673837
338.231872558594, 4.863185 339.089630126953, 1.563658 340.235443115234, 4.822442
341.058624267578, 2.840151 342.302703857422, 8.543809 345.320129394531, 6.613657
347.149627685547, 7.641322 348.158752441406, 2.58796 349.197235107422, 9.989329
350.171752929687, 4.999641 351.130767822266, 5.684777 353.228637695313, 61.964613
354.165893554687, 3.270057 356.362213134766, 1.922952 358.310028076172, 7.236271
359.39306640625, 2.921996 365.145843505859, 83.102316 372.209411621094, 8.456703
374.122955322266, 4.834895 375.491027832031, 18.579471 377.190948486328, 5.114495
378.160034179687, 5.093078 381.973907470703, 13.268629 383.124664306641, 75.078958
388.118133544922, 7.680649 389.262359619141, 4.368908 390.155029296875, 11.080714
391.150421142578, 21.243192 392.140502929687, 19.857712 397.404418945313, 6.118266
398.993011474609, 5.827785 400.351196289062, 43.627715 401.172149658203, 285.123324
402.190887451172, 34.594631 403.038116455078, 13.695765 408.284515380859, 3.340193
411.994049072266, 5.027504 418.758148193359, 1.386975 420.274291992188, 17.213629
427.085845947266, 5.033439 
##END=$$ End of the data block
