##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=1370093.750000
##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=317
##FIRSTX=136.24130249
##LASTX=490.96398926
##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)
136.241295233188, 0 136.241975571948, 0.742261 136.242655915804, 1.215266
136.243336264756, 1.431069 136.244016618804, 1.246629 136.244696977948, 0.786908
136.245374904074, 0 138.694571436883, 0 138.695270234277, 1.093147 138.695969036952, 1.585341
138.696667844908, 1.662056 138.697366658146, 1.266746 138.698065476665, 0.660277
138.698746501203, 0 157.704738244327, 0 157.705585528891, 0.93082 157.706432820283, 1.520282
157.707280118504, 1.853686 157.708127423553, 1.728703 157.708974735431, 1.220582
157.709815673544, 0 164.616613927239, 0 164.617517519936, 0.929386 164.618421120074, 1.344497
164.619324727651, 1.547892 164.620228342668, 1.423432 164.621131965126, 1.048806
164.622030492656, 0 169.800532824305, 0 169.801479433711, 1.150793 169.802426051033, 1.722951
169.803372676271, 1.959692 169.804319309425, 1.676889 169.805265950496, 1.070831
169.806210942644, 0 171.483700768166, 0 171.484661487482, 0.851644 171.48562221487, 1.2526
171.486582950333, 1.460139 171.487543693869, 1.289123 171.488504445479, 0.825594
171.489464860631, 0 171.832972704826, 0 171.833936360778, 0.780501 171.834900024836, 1.340791
171.835863697001, 1.886696 171.836827377273, 2.055439 171.837791065651, 1.71633
171.838754762136, 1.076434 171.839717390846, 0 173.437031974592, 0 173.438009155579, 0.98649
173.438986344825, 1.498657 173.439963542329, 1.624803 173.440940748092, 1.319486
173.441917962114, 0.888572 173.44289466655, 0 173.963950196682, 0 173.964931834209, 0.757899
173.965913480045, 1.328466 173.96689513419, 1.749807 173.967876796644, 1.764233
173.968858467406, 1.36164 173.969840146478, 0.793285 173.97088250158, 0
211.073007525483, 0 211.074319457064, 0.85591 211.075631400877, 1.368089
211.076943356921, 1.664636 211.078255325198, 1.575448 211.079567305706, 1.159137
211.080909453354, 0 217.433090652154, 0 217.434462324952, 0.994342 217.435834010729, 1.434268
217.437205709487, 1.68587 217.438577421224, 1.502319 217.439949145942, 0.967298
217.441319802048, 0 220.376050549306, 0 220.377450164582, 0.894909 220.378849793192, 1.331709
220.380249435135, 1.551978 220.381649090413, 1.458999 220.383048759024, 1.1237
220.384445757647, 0 227.678045560234, 0 227.679515311506, 1.037378 227.680985077009, 1.522962
227.682454856745, 1.722801 227.683924650712, 1.465681 227.685394458912, 0.895195
227.686896993515, 0 239.03250894626, 0 239.034090003219, 0.028107 239.035671075864, 1.644277
239.037252164196, 1.802496 239.038833268215, 1.400321 239.040414387921, 0.68446
239.042031977558, 0 248.108503869869, 0 248.11017582444, 1.097667 248.111847795913, 1.475234
248.113519784286, 1.570975 248.115191789559, 1.334943 248.116863811735, 0.926373
248.118576187189, 0 267.021987399241, 0 267.023854133554, 0.970041 267.025720887442, 1.446839
267.027587660906, 1.756709 267.029454453945, 1.666969 267.031321266561, 1.209408
267.033111288612, 0 268.025293903979, 0 268.027171170075, 1.13133 268.029048455894, 2.31586
268.030925761436, 10.56805 268.032803086701, 38.151491 268.03468043169, 74.840307
268.036557796403, 111.793506 268.03843518084, 105.027986 268.040312585001, 66.441619
268.042190008887, 30.685931 268.044067452498, 9.496581 268.045944915835, 3.761002
268.047822398897, 2.85822 268.049699901685, 1.414657 268.051577424198, 0.746293
268.053532223293, 0 271.63956739937, 0 271.641482764329, 0.96251 271.643398149548, 1.536979
271.645313555024, 1.860675 271.64722898076, 1.726153 271.649144426754, 1.217137
271.651086365487, 0 282.044249658817, 0 282.046276117948, 0.917222 282.048302598919, 1.577964
282.05032910173, 1.975765 282.052355626382, 1.811257 282.054382172874, 1.191934
282.056408848547, 0 283.046224311789, 0 283.048261576181, 101.830494 283.050298862568, 214.512348
283.052336170951, 496.346045 283.05437350133, 1473.606968 283.056410853705, 4300.18692
283.058448228076, 7481.246185 283.060485624445, 10000 283.06252304281, 8074.098969
283.064560483174, 4786.124039 283.066597945535, 1681.037521 283.068635429895, 404.178619
283.070672936252, 132.316065 283.072435300818, 173.615336 283.074472851174, 111.817169
283.076510423529, 60.87901 283.078548017884, 0 283.111152526874, 0 283.113190495761, 25.598326
283.115228486166, 20.984253 283.117266498577, 10.921976 283.119304532994, 6.132258
283.12134259143, 0 284.053252569531, 0 284.05530071614, 0.603117 284.0573488849, 1.815713
284.059397075814, 6.442921 284.06144528888, 12.851585 284.063493524099, 19.181412
284.065541781472, 17.408901 284.067590060998, 10.539048 284.069638362678, 4.24671
284.071686686513, 0.91216 284.073477485966, 0 286.703251623597, 0 286.705328501285, 1.297962
286.70740540154, 1.652061 286.709482324363, 1.698684 286.711559269754, 1.420633
286.713636237713, 0.955679 286.715713965391, 0 290.643767262691, 0 290.64588710487, 0.983335
290.648006970242, 1.513288 290.650126858806, 1.72656 290.652246770562, 1.493949
290.654366705512, 0.977716 290.656517095009, 0 305.07442298609, 0 305.076702649355, 1.018863
305.078982338173, 1.550464 305.081262052544, 1.856974 305.083541792468, 1.721098
305.085821557945, 1.226199 305.087401102928, 0 325.058184501992, 0 325.060691795344, 0.257703
325.063199117706, 1.657604 325.065706469078, 5.813985 325.068213849461, 10.33328
325.070721258854, 13.55419 325.073228697259, 10.671737 325.075736164675, 6.276228
325.078243661104, 2.394415 325.080751186545, 0.710602 325.083994820259, 0
326.417092463854, 0 326.419615487727, 0.996294 326.422138540852, 1.440083
326.42466162323, 1.607466 326.427184734862, 1.416199 326.429707875748, 0.987552
326.432270306904, 0 346.107236118771, 0 346.109990842501, 1.032978 346.11274559912, 1.58888
346.115500388627, 1.783803 346.118255211023, 1.534922 346.121010066308, 1.029878
346.123766320079, 0 349.059757647119, 0 349.062547695381, 0.512437 349.065337777095, 2.242706
349.068127892262, 4.454331 349.070918040881, 6.483077 349.073708222953, 5.707635
349.076498438479, 3.390527 349.079288687459, 1.332313 349.08208148512, 0
354.507468906853, 0 354.510324525076, 1.002873 354.513180177802, 1.439118
354.516035865033, 1.669732 354.518891586769, 1.53736 354.521747343011, 1.08607
354.524917734, 0 367.068244905062, 0 367.071253625098, 0.734848 367.074262382126, 3.548588
367.077271176147, 7.719162 367.080280007161, 12.198999 367.08328887517, 12.321293
367.086297780173, 7.957155 367.089306722171, 3.759175 367.092315701165, 1.010808
367.095054005447, 0 373.947820241714, 0 373.950913944401, 0.97346 373.954007685481, 1.524009
373.957101464952, 1.989797 373.960195282817, 2.081393 373.963289139076, 1.707151
373.96638303373, 1.068129 373.969478852677, 0 377.346017264698, 0 377.349153233494, 0.968278
377.352289241383, 1.583946 377.355425288365, 1.857687 377.358561374442, 1.606057
377.361697499613, 1.042485 377.364836059242, 0 381.660096620477, 0 381.663286521626, 1.213611
381.666476462767, 1.65416 381.6696664439, 1.80175 381.672856465027, 1.543162
381.676046526147, 0.99169 381.679242926611, 0 393.001159646181, 0 393.004492780967, 0.963464
393.007825958158, 1.45474 393.011159177753, 1.86304 393.014492439753, 1.948314
393.017825744159, 1.623655 393.021159090972, 1.025265 393.024593204606, 0
427.881544587895, 0 427.885331170606, 1.236885 427.889117803583, 1.753941
427.892904486826, 1.897403 427.896691220335, 1.555737 427.900478004112, 0.946206
427.904155831929, 0 445.085975652794, 0 445.089992896805, 2.208894 445.094010195204, 4.090315
445.098027547992, 16.676609 445.102044955171, 62.21782 445.106062416741, 163.038814
445.110079932703, 271.876597 445.114097503059, 329.200745 445.118115127808, 243.14661
445.122132806953, 138.115132 445.126150540494, 45.319071 445.130168328433, 13.591768
445.134186170769, 6.063703 445.138204067505, 4.532298 445.14222201864, 0.792285
445.146361988741, 0 487.238780403053, 0 487.243381644268, 1.168777 487.247982950662, 1.671339
487.252584322234, 1.920599 487.257185758988, 1.724167 487.261787260923, 1.184665
487.266391942034, 0 490.936058847983, 0 490.940712561436, 1.429774 490.94536634106, 1.86611
490.950020186856, 1.941024 490.954674098826, 1.568306 490.959328076971, 0.944917
490.963982121291, 0 
##END=$$ End of the data block
