##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=2705644.250000
##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=342
##FIRSTX=135.00744629
##LASTX=502.64053345
##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)
135.0074466451, 0 135.00811776273, 0.841167 135.008788885365, 1.332759
135.009460013004, 1.706024 135.010131145647, 1.635668 135.010802283295, 1.090397
135.011471508121, 0 137.209783416787, 0 137.210471022842, 0.774314 137.211158634065, 1.279039
137.211846250457, 1.503891 137.212533872018, 1.262119 137.213221498748, 0.723917
137.213905029378, 0 141.336120643002, 0 141.336839498911, 0.925613 141.337558360305, 1.392159
141.338277227183, 1.564971 141.338996099546, 1.37058 141.339714977393, 0.961968
141.340433094493, 0 142.415511087997, 0 142.41623819452, 1.134151 142.416965306612, 1.534963
142.417692424272, 1.624755 142.418419547501, 1.300508 142.419146676298, 0.730166
142.419867779375, 0 148.843414749182, 0 148.84419163389, 0.887647 148.844968524681, 1.386139
148.845745421555, 1.609813 148.84652232451, 1.401464 148.847299233549, 0.885966
148.848062924035, 0 162.617299258646, 0 162.618186439832, 0.674996 162.619073628279, 1.322204
162.619960823986, 1.695185 162.620848026953, 1.569955 162.621735237181, 1.069698
162.622619203989, 0 166.362558957375, 0 166.363476963572, 0.715095 166.364394977368, 1.320472
166.365312998762, 1.720574 166.366231027755, 1.622979 166.367149064347, 1.107029
166.368067007446, 0 166.46542280175, 0 166.4663416595, 0.839664 166.467260524858, 1.255399
166.468179397824, 1.47655 166.469098278399, 1.34447 166.470017166581, 0.906362
166.470942648758, 0 189.852217552721, 0 189.853336696156, 0.843448 189.854455849487, 1.311841
189.855575012714, 1.49066 189.856694185836, 1.280515 189.857813368855, 0.847232
189.858959520342, 0 193.034233184277, 0 193.035380581138, 1.169738 193.03652798823, 1.567433
193.037675405551, 1.710532 193.038822833104, 1.515275 193.039970270887, 1.076013
193.041115525257, 0 196.283949999672, 0 196.28512649269, 1.03183 196.286302996287, 1.51948
196.287479510461, 1.668616 196.288656035213, 1.392023 196.289832570542, 0.862258
196.291008679122, 0 196.931438857074, 0 196.932621176309, 0.82505 196.93380350619, 1.350672
196.93498584672, 1.587681 196.936168197897, 1.46103 196.937350559722, 1.096186
196.938532199143, 0 198.017728844822, 0 198.018920960203, 0.901491 198.02011308635, 1.504937
198.021305223262, 1.687594 198.02249737094, 1.366776 198.023689529383, 0.830321
198.024880526872, 0 199.752838901523, 0 199.754046719884, 0.869533 199.7552545492, 1.579946
199.756462389471, 2.06039 199.757670240697, 2.010044 199.758878102878, 1.473446
199.760085976014, 0.830181 199.761293779736, 0 199.872466001201, 0 199.873674904725, 0.994185
199.874883819218, 1.382773 199.876092744678, 1.52656 199.877301681107, 1.339836
199.878510628504, 0.947796 199.879743075508, 0 213.705484783686, 0 213.706821335051, 1.061188
213.708157898955, 1.485569 213.709494475397, 1.695622 213.710831064378, 1.568924
213.712167665899, 1.157882 213.713533823438, 0 222.831702413371, 0 222.833125487616, 0.99604
222.834548575493, 1.5524 222.835971677003, 1.815697 222.837394792145, 1.654058
222.838817920921, 1.203205 222.840274181455, 0 228.774041232932, 0 228.775521609263, 1.121185
228.777001999963, 1.560387 228.778482405033, 1.750614 228.779962824472, 1.602551
228.78144325828, 1.217383 228.782923241802, 0 230.953794280283, 0 230.955295864444, 1.034413
230.956797463249, 1.604966 230.958299076699, 1.84902 230.959800704793, 1.547075
230.961302347533, 0.908824 230.962802958369, 0 235.862762500262, 0 235.8643122127, 1.000508
235.865861940411, 1.688595 235.867411683396, 1.968192 235.868961441655, 1.692227
235.870511215187, 1.096364 235.872060303902, 0 239.14638513034, 0 239.147967317269, 1.120913
239.149549519899, 1.783158 239.151131738232, 2.16951 239.152713972266, 2.010998
239.154296222003, 1.408823 239.155878487442, 0.755947 239.157537583762, 0
267.021987399378, 0 267.02385413369, 0.260754 267.025720887578, 1.982995
267.027587661042, 3.84431 267.029454454082, 5.128968 267.031321266698, 3.969916
267.03318809889, 2.290843 267.035054950659, 0.9253 267.036832875266, 0
268.025281767518, 0 268.027159033614, 0.443994 268.029036319433, 1.850257
268.030913624975, 10.564473 268.03279095024, 38.498363 268.034668295229, 75.111389
268.036545659942, 112.032986 268.038423044379, 105.365467 268.04030044854, 66.813743
268.042177872426, 31.148937 268.044055316037, 9.493899 268.045932779374, 3.432885
268.047810262436, 2.599449 268.049687765224, 1.79234 268.051654333286, 1.949103
268.053531875526, 0.354652 268.055409543156, 0 269.136394283526, 0 269.138283234244, 0.750031
269.140172204848, 1.422152 269.14206119534, 1.907081 269.143950205718, 1.931452
269.145839235984, 1.534618 269.147728286138, 1.017528 269.149644071134, 0
282.046276118319, 0 282.04830259929, 0.800984 282.050329102101, 1.646821
282.052355626753, 2.125905 282.054382173245, 1.908409 282.056408741579, 1.221393
282.058435436073, 0 283.042125622205, 0 283.044162842607, 10.55821 283.046200085004, 12.074026
283.048237349396, 128.879881 283.050274635783, 226.835775 283.052311944166, 453.403044
283.054349274544, 1344.432831 283.056386626919, 4052.753067 283.058424001291, 7247.209167
283.06046139766, 10000 283.062498816025, 8414.321136 283.064536256389, 5059.080505
283.06657371875, 1930.075073 283.068611203109, 484.060574 283.070648709467, 164.266241
283.072435300774, 191.380131 283.07447285113, 123.684859 283.076510423486, 67.428797
283.078548017841, 0 283.103000871457, 0 283.10503875274, 20.519534 283.107076655125, 19.151662
283.109114579515, 7.390215 283.11115252591, 2.796025 283.111491850402, 0
284.055000964846, 0 284.057049133607, 1.324214 284.05909732452, 4.793285
284.061145537586, 10.204842 284.063193772805, 16.010207 284.065242030178, 16.086376
284.067290309704, 10.166854 284.069338611384, 4.707487 284.071386935219, 1.029181
284.073507469579, 0 300.811093304255, 0 300.813325348297, 0.937032 300.815557417181, 1.442042
300.817789510909, 1.732766 300.82002162948, 1.653796 300.822253772896, 1.260427
300.824487126147, 0 305.074422986191, 0 305.076702649457, 1.256219 305.078982338275, 2.933323
305.081262052646, 4.64825 305.08354179257, 4.343588 305.085821558047, 2.602324
305.088101349077, 1.050108 305.090383700155, 0 314.194201373915, 0 314.196584018617, 0.95845
314.198966690421, 1.428907 314.201349389329, 1.621669 314.203732115341, 1.382368
314.206114868456, 0.848889 314.208238784685, 0 325.058628418643, 0 325.061135711996, 0.408036
325.063643034358, 2.216857 325.06615038573, 7.021707 325.068657766112, 12.199435
325.071165175505, 15.941007 325.07367261391, 12.525278 325.076180081327, 7.309484
325.078687577755, 2.619903 325.081195103197, 0.608627 325.083996923775, 0
332.109215796987, 0 332.111805103316, 1.26018 332.114394439927, 1.694368
332.11698380682, 1.853416 332.119573203996, 1.684018 332.122162631454, 1.27402
332.124790612015, 0 349.059757646842, 0 349.062547695105, 0.597963 349.065337776819, 1.920165
349.068127891985, 3.433622 349.070918040604, 4.492928 349.073708222676, 3.467219
349.076498438202, 1.862807 349.079288687182, 0.491541 349.082606554746, 0
367.068455374447, 0 367.071464094483, 0.448213 367.074472851511, 1.506461
367.077481645532, 4.288466 367.080490476546, 7.475331 367.083499344555, 8.964045
367.086508249558, 6.267553 367.089517191556, 3.219366 367.09252617055, 0.75838
367.095051705298, 0 369.80607057353, 0 369.809113021121, 0.874064 369.812155506257, 1.475419
369.81519802894, 1.967278 369.818240589171, 2.06395 369.82128318695, 1.002519
369.824442716386, 0 432.29262376196, 0 432.296469049909, 1.022381 432.300314389165, 1.501129
432.304159779728, 1.702728 432.3080052216, 1.526497 432.311850714781, 1.099271
432.3155930936, 0 445.085984782288, 0 445.090002026298, 2.223544 445.094019324697, 3.667518
445.098036677486, 14.559509 445.102054084664, 54.866815 445.106071546234, 152.275348
445.110089062196, 256.667948 445.114106632552, 319.549108 445.118124257302, 240.905738
445.122141936446, 139.010119 445.126159669988, 46.288642 445.130177457926, 13.94072
445.134195300262, 5.970024 445.138213196998, 4.715681 445.142231148134, 1.161315
445.146371578279, 0 458.128622484756, 0 458.132817594696, 1.194687 458.137012762259, 1.671849
458.141207987445, 1.835209 458.145403270256, 1.545598 458.149598610693, 0.974522
458.1538440321, 0 464.645218143907, 0 464.649503080225, 1.000744 464.653788075816, 1.639499
464.658073130681, 1.962156 464.662358244823, 1.743925 464.666643418241, 1.1654
464.670933228504, 0 470.078541613875, 0 470.082901928424, 1.211074 470.087262303642, 1.756548
470.091622739528, 1.933093 470.095983236085, 1.617696 470.100343793312, 1.024712
470.104731825886, 0 502.611599984064, 0 502.61642069439, 0.664317 502.621241474072, 1.699392
502.626062323111, 2.080548 502.630883241508, 1.670415 502.635704229266, 0.993472
502.640525286384, 0 
##END=$$ End of the data block
