##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=1325579.375000
##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
$$ =====================================================
##$ACD DATA TYPE=p
##$MS_FRAGMENTS=ACDTABLE(Fragment,Formula,Label,mzCalc,mzExp,TICCalc,TICExp,RICalc,AQI,RDBE)

$$ =====================================================
$$ End of Advanced Chemistry Development specific data
$$ =====================================================
##NPOINTS=641
##FIRSTX=106.28775024
##LASTX=439.82470703
##MAXX=10000.00000000
##MINX=0.00000000
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=0.00000000
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
106.287747830219, 0 106.288216469136, 1.044445 106.288685111152, 1.626171
106.289153756267, 1.906584 106.289622404482, 1.713442 106.290091055797, 1.166001
106.290561291014, 0 106.896770974201, 0 106.8972436468, 0.914856 106.897716322534, 1.50791
106.898189001403, 1.872593 106.898661683408, 1.755534 106.899134368547, 1.20271
106.899614519335, 0 109.800583156582, 0 109.801075219382, 0.903018 109.80156728549, 1.712959
109.802059354906, 2.642606 109.80255142763, 3.253279 109.803043503661, 2.199256
109.803535583, 0.97418 109.804028737221, 0 110.214095788913, 0 110.214590634019, 1.206152
110.215085482457, 1.843479 110.215580334229, 2.036812 110.216075189332, 1.648561
110.216570047769, 0.944998 110.217075186974, 0 114.206909265159, 0 114.207431243109, 0.966686
114.207953224637, 1.635754 114.208475209744, 1.880109 114.208997198429, 1.540522
114.209519190693, 0.85993 114.210042511167, 0 114.717543319997, 0 114.718068802608, 1.073426
114.718594288829, 1.543637 114.719119778661, 1.748672 114.719645272104, 1.545716
114.720170769157, 1.026681 114.720711598169, 0 120.662619664658, 0 120.663186520661, 1.128125
120.663753380658, 1.924932 120.66432024465, 2.384235 120.664887112637, 2.21096
120.665453984618, 1.557077 120.666020860594, 0.900546 120.666597860898, 0
124.605052909318, 0 124.605647772551, 1.124692 124.606242640045, 1.748887
124.606837511799, 1.961319 124.607432387812, 1.657089 124.608027268085, 1.043207
124.608637626398, 0 130.618376999457, 0 130.619015439478, 0.975242 130.619653884181, 1.579674
130.620292333564, 1.852854 130.620930787629, 1.613891 130.621569246374, 1.031821
130.622219947175, 0 135.389895013782, 0 135.390568754944, 1.247263 135.391242501135, 1.815644
135.391916252355, 1.997124 135.392590008604, 1.671763 135.393263769882, 1.018545
135.393946781982, 0 138.959027842856, 0 138.959728400494, 1.142591 138.960428963429, 1.679557
138.961129531663, 1.860707 138.961830105195, 1.524221 138.962530684024, 0.876159
138.963264643406, 0 161.308016532626, 0 161.308892721741, 1.307178 161.309768917995, 1.956945
161.310645121388, 2.211986 161.31152133192, 1.919228 161.312397549591, 1.246302
161.313279784314, 0 163.77258100291, 0 163.773477349, 1.195978 163.774373702449, 1.754518
163.775270063256, 2.003218 163.776166431423, 1.758471 163.777062806948, 1.1295
163.777961796052, 0 168.350788776207, 0 168.351722969457, 0.957191 168.352657170484, 1.780244
168.353591379286, 2.412131 168.354525595864, 2.43489 168.355459820218, 1.815632
168.356394052349, 0.989382 168.357333644392, 0 170.592571327038, 0 170.593524242063, 1.186429
170.594477165073, 1.606876 170.595430096066, 1.843793 170.596383035045, 1.791613
170.597335982008, 1.476108 170.59829831581, 0 178.325313983659, 0 178.326332419242, 0.959402
178.327350863549, 1.558014 178.328369316581, 1.949081 178.329387778338, 1.759296
178.330406248819, 1.061103 178.331431170188, 0 181.082201825338, 0 181.083243969332, 0.96779
181.084286122323, 1.602367 181.08532828431, 1.979765 181.086370455294, 1.82989
181.087412635274, 1.228881 181.088454904695, 0 181.116597408297, 0 181.11763984923, 0.924037
181.118682299163, 1.54232 181.119724758096, 1.931285 181.120767226029, 1.796513
181.121809702962, 1.174305 181.122980445431, 0 197.897568271168, 0 197.898758894922, 0.960998
197.899949529422, 1.557544 197.901140174666, 2.029607 197.902330830655, 2.053777
197.90352149739, 1.604026 197.904712174871, 0.924713 197.905903249013, 0
198.035752713853, 0 198.036944584878, 1.138867 198.038136466663, 1.863774
198.039328359209, 2.776839 198.040520262514, 3.215757 198.04171217658, 2.182042
198.042904101406, 1.443054 198.044045496562, 0 208.948200888184, 0 208.949492619257, 0.793101
208.950784362308, 1.644201 208.952076117337, 2.306798 208.953367884345, 2.241905
208.954659663332, 1.496784 208.955955495889, 0 210.633701456895, 0 210.635008849272, 1.420362
210.636316253822, 2.022743 210.637623670545, 2.105717 210.63893109944, 1.652471
210.640238540508, 1.016849 210.641546743347, 0 210.945205227126, 0 210.94651552081, 1.449156
210.947825826703, 2.872237 210.949136144804, 4.197962 210.950446475115, 3.984248
210.951756817634, 2.342137 210.953067172362, 0.800078 210.954322910391, 0
224.43001093995, 0 224.431448863709, 1.16292 224.432886801288, 1.674096
224.434324752685, 1.850351 224.435762717903, 1.588846 224.43720069694, 1.091007
224.438561610951, 0 230.551366884583, 0 230.552864037949, 1.025931 230.554361205898, 1.73425
230.555858388431, 2.057169 230.557355585547, 1.839196 230.558852797248, 1.267236
230.560367519009, 0 241.324465854536, 0 241.326069161977, 1.001221 241.327672485396, 1.806268
241.329275824794, 2.307663 241.33087918017, 2.165656 241.332482551524, 1.478682
241.333995130978, 0 243.599383848762, 0 243.601009881618, 1.491617 243.602635930754, 1.99358
243.604261996171, 2.045132 243.60588807787, 1.615804 243.60751417585, 1.000896
243.609062316206, 0 263.153453422053, 0 263.155279120176, 0.76682 263.1571048373, 1.675025
263.158930573423, 2.721285 263.160756328546, 3.064305 263.16258210267, 1.753833
263.164407895794, 0.45443 263.166032852189, 0 314.657934000351, 0 314.660321119289, 0.976965
314.662708265392, 1.687515 314.66509543866, 2.230895 314.667482639094, 2.20561
314.669869866693, 1.616124 314.672257153656, 0 315.109582573801, 0 315.111974834167, 0.269492
315.114367121775, 1.844359 315.116759436626, 3.555299 315.119151778721, 5.323527
315.12154414806, 5.928881 315.123936544642, 5.098757 315.126328968469, 3.563568
315.128721419542, 2.094776 315.13111389786, 0.862976 315.134446809769, 0
320.909208157935, 0 320.911666755272, 1.269723 320.914125380863, 4.107589
320.916584034709, 7.778932 320.919042716811, 11.328495 320.921501427168, 10.329778
320.923960165782, 6.204097 320.926418932652, 2.410562 320.928877727779, 0.152607
320.930271638202, 0 321.141836207997, 0 321.14429749144, 1.071291 321.146758803178, 1.770955
321.149220143213, 2.226115 321.151681511543, 2.13597 321.154142908171, 1.570717
321.156104279951, 0 322.905921215566, 0 322.908402812975, 1.007375 322.910884438992, 3.974874
322.913366093616, 7.262342 322.915847776848, 9.369622 322.91832948869, 7.03513
322.92081122914, 3.907879 322.9232929982, 1.212888 322.926273257116, 0
326.141698263034, 0 326.144217249348, 0.390735 326.146736264846, 1.971879
326.149255309528, 3.693327 326.151774383394, 4.468247 326.154293486445, 3.454915
326.156812618681, 2.062949 326.159331780104, 1.067339 326.162632482949, 0
327.147346625246, 0 327.149877262312, 1.39935 327.152407928743, 3.961696
327.154938624538, 8.384529 327.157469349697, 13.315269 327.160000104221, 14.643341
327.16253088811, 9.94207 327.165061701366, 4.929941 327.167592543988, 1.064871
327.170541687788, 0 329.128065055757, 0 329.130618705458, 1.332757 329.13317238488, 3.794952
329.135726094023, 7.032964 329.138279832887, 10.076343 329.140833601472, 9.017765
329.14338739978, 5.338181 329.14594122781, 2.013341 329.148495085563, 0.04487
329.149847917881, 0 330.135307626162, 0 330.137873021424, 0.609433 330.140438446589, 2.202806
330.143003901657, 4.061549 330.145569386629, 5.034992 330.148134901504, 3.508631
330.150700446285, 1.685231 330.15326602097, 0.177188 330.155830995571, 0
332.116961293449, 0 332.119549821743, 1.666044 332.1221383803, 3.428019
332.12472696912, 4.500588 332.127315588203, 3.280626 332.129904237551, 1.65369
332.132492917163, 0.981327 332.134947360833, 0 339.094809142219, 0 339.097479677495, 1.380245
339.100150244318, 2.222517 339.10282084269, 2.755583 339.10549147261, 1.763745
339.10816213408, 0.626868 339.110832799116, 0 339.13219947912, 0 339.134870456109, 1.039009
339.137541464653, 2.016957 339.140212504752, 3.695707 339.142883576406, 3.95356
339.145554679617, 2.538219 339.148225814384, 0.991734 339.1508948592, 0
342.130049044877, 0 342.132755516292, 0.600019 342.135462019823, 2.026509
342.138168555469, 3.56024 342.140875123231, 3.814183 342.14358172311, 1.651079
342.147189289585, 0 343.139977806933, 0 343.142696260282, 0.855096 343.145414745936, 1.952415
343.148133263895, 5.760624 343.15085181416, 11.206518 343.153570396731, 16.535969
343.156289011609, 14.972542 343.159007658794, 8.978676 343.161726338287, 3.437341
343.164445050088, 0.613911 343.166261431244, 0 344.147112759238, 0 344.149843200363, 0.268346
344.152573673982, 1.785848 344.155304180097, 3.608118 344.158034718707, 5.075821
344.160765289814, 4.14889 344.163495893418, 2.364569 344.166226529519, 0.794426
344.168956519067, 0 345.107496599348, 0 345.110238477895, 0.917369 345.112980389119, 1.703409
345.11572233302, 2.434612 345.118464309598, 2.785414 345.121206318854, 1.943376
345.123948360789, 1.080675 345.124862199508, 0 346.127906479429, 0 346.130660549523, 0.417871
346.133414652488, 3.869973 346.136168788323, 8.508123 346.13892295703, 13.027123
346.141677158609, 12.378761 346.14443139306, 7.966968 346.147185660384, 3.925388
346.149939960582, 1.420313 346.154191259999, 0 348.143098493171, 0 348.145876631929, 1.02224
348.148654803941, 4.883241 348.151433009207, 11.01664 348.154211247727, 17.778137
348.156989519504, 18.975277 348.159767824536, 12.63565 348.162546162825, 6.364285
348.165324534371, 1.635508 348.168431348631, 0 349.148499964608, 0 349.15129014258, 1.110386
349.154080353999, 2.759015 349.156870598864, 4.728191 349.159660877176, 5.818433
349.162451188936, 4.274792 349.165241534144, 2.27095 349.168031912801, 0.53656
349.170819496598, 0 353.147341108714, 0 353.15017935813, 0.589023 353.153017641763, 2.033458
353.155855959613, 3.546816 353.15869431168, 2.343255 353.161532697966, 0.412177
353.164371103861, 0 353.167209558585, 0 353.17004804753, 0.449384 353.172886570694, 2.614335
353.17572512808, 4.509781 353.178563719688, 4.139219 353.181402345517, 1.797624
353.184241005569, 0.439004 353.187078992186, 0 354.168474937221, 0 354.171325505848, 1.044113
354.174176108889, 2.387999 354.177026746346, 3.117307 354.179877418218, 1.864487
354.182728124507, 0.772864 354.185578173386, 0 355.145379145892, 0 355.148241516767, 1.47052
355.151103922246, 3.103067 355.153966362331, 4.365986 355.156828837022, 3.512222
355.159691346319, 1.909699 355.162553890224, 0.934818 355.165450859044, 0
357.146024535191, 0 357.148911126649, 0.136469 357.151797753104, 1.667095
357.154684414555, 2.158156 357.157571111003, 5.247237 357.160457842448, 18.502335
357.163344608892, 57.648653 357.166231410334, 101.365888 357.169118246776, 135.78862
357.172005118218, 109.512746 357.17489202466, 64.925873 357.177778966103, 23.425314
357.180665942548, 6.629844 357.183552953995, 2.731157 357.186440000444, 2.482915
357.189327081897, 1.071134 357.192177695922, 0 358.129449622599, 0 358.132348145345, 1.078307
358.135246703279, 2.80917 358.138145296403, 4.135004 358.141043924717, 3.679392
358.143942588221, 1.631709 358.146643385585, 0 358.158238532291, 0 358.161137406952, 0.678227
358.164036316806, 7.423443 358.166935261857, 23.802416 358.169834242102, 43.46984
358.172733257545, 62.411803 358.175632308184, 58.504277 358.17853139402, 38.124311
358.181430515055, 18.965563 358.184329671288, 5.863915 358.18722886272, 0.526459
358.190325276127, 0 359.137352665662, 0 359.140263433235, 0.466949 359.143174236195, 2.926936
359.146085074543, 5.544501 359.148995948279, 6.686131 359.151906857405, 4.566032
359.15481780192, 2.318057 359.157728781825, 0.643043 359.160639774478, 0
359.169373032715, 0 359.172284189579, 1.630784 359.175195381837, 3.415939
359.178106609489, 5.432691 359.181017872535, 6.325353 359.183929170977, 4.632249
359.186840504815, 2.529839 359.18975187405, 0.700574 359.192892130649, 0
361.148583692769, 0 361.151518942973, 1.61088 361.154454228961, 5.959277
361.157389550734, 20.323086 361.160324908293, 40.176079 361.163260301639, 60.457242
361.166195730771, 57.427835 361.169131195691, 36.13238 361.1720666964, 16.428614
361.175002232897, 4.173591 361.177937805183, 1.071642 361.181222636822, 0
362.15487897696, 0 362.15782649952, 0.547175 362.160774058064, 2.467323
362.163721652594, 5.287698 362.166669283108, 8.35241 362.169616949609, 8.540014
362.172564652097, 5.439387 362.175512390571, 2.488982 362.178460165034, 0.335298
362.180678918303, 0 369.15715945718, 0 369.160192886549, 3.844535 369.163226353307, 8.808127
369.166259857455, 13.487291 369.169293398993, 12.605532 369.172326977923, 8.496336
369.175360594245, 4.825086 369.178394247959, 2.728759 369.181427939067, 1.593491
369.184460560575, 0 370.16326918132, 0 370.166315020224, 0.166126 370.169360896722, 1.797366
370.172406810814, 3.642797 370.175452762501, 5.163065 370.178498751783, 4.387916
370.181544778661, 2.631916 370.184590843136, 1.043449 370.187633666574, 0
373.150904927484, 0 373.153987715793, 1.054762 373.157070542304, 2.679981
373.160153407018, 4.32561 373.163236309937, 5.460455 373.16631925106, 4.375033
373.169402230389, 2.467803 373.172485247923, 0.685469 373.175563492045, 0
377.539013921624, 0 377.542151248154, 1.589578 377.545288613789, 2.082123
377.548426018532, 2.161298 377.551563462383, 1.764767 377.554700945343, 1.104256
377.55483962793, 0 384.176175286645, 0 384.179395745087, 2.506342 384.182616244023, 11.459193
384.185836783454, 20.433755 384.189057363381, 27.474904 384.192277983804, 23.671418
384.195498644724, 15.553667 384.198719346142, 8.081824 384.201940088058, 3.886197
384.205160870473, 1.618993 384.211993595017, 0 389.181128814523, 0 389.184412364336, 0.447175
389.187695955705, 1.767782 389.190979588631, 4.485526 389.194263263113, 7.509612
389.197546979153, 8.152559 389.200830736751, 5.268353 389.204114535908, 2.420528
389.207398376625, 0.292925 389.210055312889, 0 390.187210620093, 0 390.190506918682, 0.974994
390.193803259042, 1.848678 390.197099641174, 2.968894 390.200396065077, 2.438987
390.203692530754, 1.716452 390.206983725882, 0 399.330474057981, 0 399.333886896154, 1.048936
399.337299778078, 1.854371 399.340712703753, 2.404441 399.344125673182, 2.272733
399.347538686365, 1.548016 399.350745152671, 0 400.160875332536, 0 400.16429882431, 1.133137
400.167722360018, 2.272007 400.171145939659, 2.747754 400.174569563236, 9.470129
400.177993230749, 35.445338 400.181416942198, 86.359507 400.184840697585, 141.487539
400.188264496909, 162.727845 400.191688340172, 115.400255 400.195112227375, 63.048363
400.198536158518, 20.005405 400.201960133602, 6.359591 400.205384152628, 3.661838
400.208808215597, 2.790535 400.212232322509, 0.890903 400.217267711128, 0
401.143398633462, 0 401.146834720925, 0.639551 401.150270852538, 2.387595
401.1537070283, 7.37547 401.157143248213, 12.997574 401.160579512278, 15.391952
401.164015820495, 12.591237 401.167452172864, 6.965315 401.170888569388, 1.143426
401.172821601645, 0 401.176258086478, 0 401.179694615467, 2.009319 401.183131188613, 11.010058
401.186567805917, 29.350919 401.190004467379, 48.859936 401.193441172999, 60.607886
401.19687792278, 47.008383 401.200314716721, 27.992645 401.203751554823, 10.186073
401.207188437087, 2.55193 401.210625363515, 0.180586 401.214158033932, 0
402.150656308773, 0 402.15410536437, 1.165555 402.157554464339, 2.204897
402.161003608679, 3.531436 402.164452797393, 2.891921 402.16790203048, 1.591632
402.171337846082, 0 415.17878649605, 0 415.182404507993, 16.63384 415.18602256723, 58.812338
415.18964067376, 155.08374 415.193258827585, 184.917557 415.196877028705, 540.180826
415.200495277122, 1959.741592 415.204113572836, 5050.687027 415.207731915848, 8388.909149
415.211350306158, 10000 415.214968743769, 7262.788391 415.218587228679, 4052.926254
415.222205760891, 1294.402504 415.225824340405, 401.656199 415.229442967222, 221.933889
415.233061641343, 178.535473 415.236680362769, 73.451948 415.240299131499, 28.485101
415.243917947536, 0 420.98446272027, 0 420.988156884262, 1.351207 420.991851096879, 1.911721
420.995545358122, 2.144292 420.999239667991, 1.873319 421.002934026488, 1.2849
421.006626970069, 0 422.332356218949, 0 422.336068138933, 1.115346 422.339780107854, 1.747737
422.343492125712, 2.037988 422.347204192509, 1.737562 422.350916308245, 1.035784
422.354622100318, 0 432.678085779143, 0 432.681934925637, 1.319613 432.685784123494, 1.862489
432.689633372716, 2.053321 432.693482673303, 1.793918 432.697332025257, 1.260675
432.701173775318, 0 439.80102743918, 0 439.804972025526, 1.42952 439.80891666494, 1.929097
439.812861357425, 2.08602 439.81680610298, 1.798212 439.820750901607, 1.199022
439.824695753306, 0 
##END=$$ End of the data block
