##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=16300.494141
##DATA TYPE=MASS SPECTRUM
##DATA CLASS=PEAK TABLE
##ORIGIN=
##OWNER=
##.IONIZATION MODE=APCI-
##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=615
##FIRSTX=70.70356750
##LASTX=299.78848267
##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)
70.703566627611, 0 70.703693800111, 17.873165 70.703820972954, 24.736914
70.70394814614, 25.400981 70.704075319669, 19.897972 70.704202493541, 12.04091
70.704325302793, 0 73.110010071265, 0 73.110143791306, 17.165267 73.110277511713, 24.915935
73.110411232487, 27.711669 73.110544953628, 23.863341 73.110678675135, 15.948156
73.110812147605, 0 73.247265634648, 0 73.247399731431, 11.811312 73.247533828582, 20.076045
73.247667926102, 26.512867 73.247802023989, 27.048311 73.247936122245, 21.224457
73.248070220869, 12.357209 73.248203401621, 0 73.752999046998, 0 73.753134534977, 14.108452
73.753270023328, 22.593109 73.753405512053, 26.490414 73.753541001152, 24.041787
73.753676490624, 17.311463 73.753811303659, 0 74.125641102013, 0 74.125777618131, 12.001918
74.125914134627, 22.390218 74.126050651499, 31.141418 74.126187168748, 32.133141
74.126323686375, 24.524468 74.126460204379, 13.199969 74.126593906673, 0
75.67958547531, 0 75.679726306665, 14.576761 75.679867138414, 21.702814
75.680007970555, 25.186321 75.68014880309, 22.641516 75.680289636017, 15.502861
75.680430165887, 0 75.846746505652, 0 75.846887803868, 16.060141 75.847029102478, 23.881029
75.847170401483, 25.596929 75.847311700883, 20.064427 75.847453000678, 11.374378
75.847585277137, 0 80.823180872304, 0 80.823336302419, 13.443492 80.823491732982, 22.492461
80.823647163993, 30.323163 80.823802595452, 32.306314 80.82395802736, 26.97221
80.824113459717, 17.198394 80.82426262635, 0 84.278426421372, 0 84.278591924382, 13.959348
84.27875742788, 22.250992 84.278922931865, 28.364837 84.279088436338, 27.205789
84.279253941299, 18.857417 84.279417884715, 0 85.138785351517, 0 85.138953395299, 13.515562
85.139121439579, 22.464478 85.139289484356, 28.451058 85.139457529631, 26.680982
85.139625575403, 17.936665 85.139793025335, 0 85.467248962507, 0 85.467417979691, 13.502689
85.467586997376, 22.273003 85.467756015563, 27.798405 85.467925034251, 25.929427
85.46809405344, 17.556216 85.46826296015, 0 85.529481045649, 0 85.529650247469, 11.649732
85.529819449791, 20.336449 85.529988652615, 25.083962 85.530157855941, 23.34211
85.530327059769, 16.995728 85.530492404669, 0 87.659620093143, 0 87.659795655198, 14.135036
87.659971217781, 21.551661 87.660146780892, 25.27771 87.660322344529, 23.349176
87.660497908695, 16.84563 87.66067313213, 0 87.847597091562, 0 87.847773218632, 10.982373
87.847949346232, 22.148202 87.848125474362, 27.674186 87.848301603022, 24.435681
87.848477732211, 16.09357 87.848651457677, 0 89.171884421635, 0 89.172064546307, 14.176874
89.172244671524, 22.571993 89.172424797287, 27.156779 89.172604923596, 25.059676
89.172785050451, 17.369272 89.172963663085, 0 90.011014645203, 0 90.011197318377, 12.497807
90.011379992107, 21.148553 90.011562666392, 26.02914 90.011745341234, 23.881347
90.011928016632, 15.964693 90.012110030314, 0 90.375820882234, 0 90.376004667069, 13.769537
90.376188452464, 22.834173 90.37637223842, 28.239265 90.376556024936, 26.241761
90.376739812013, 18.321759 90.376908850717, 0 98.511565440294, 0 98.511774592352, 12.206
98.511983745077, 21.022156 98.512192898468, 26.508623 98.512402052526, 25.499979
98.512611207249, 18.640634 98.512814426024, 0 101.788629317175, 0 101.788848991966, 16.797739
101.789068667468, 25.704372 101.789288343681, 28.254697 101.789508020606, 23.107626
101.789727698242, 14.529401 101.789947042389, 0 101.972745884343, 0 101.97296615543, 16.282772
101.97318642723, 21.834181 101.973406699744, 23.826845 101.973626972972, 20.545304
101.973847246913, 13.508689 101.974066954029, 0 102.285365643163, 0 102.28558692796, 14.100188
102.285808213475, 20.659408 102.286029499708, 24.240577 102.286250786659, 22.305347
102.286472074328, 15.619142 102.286691049514, 0 103.559799221117, 0 103.560024654447, 13.89434
103.560250088514, 21.934746 103.560475523317, 26.42796 103.560700958856, 24.683365
103.560926395131, 17.893112 103.56114868919, 0 105.298511110398, 0 105.298742244847, 16.739838
105.298973380057, 25.831825 105.299204516027, 28.757209 105.299435652759, 24.169989
105.299666790252, 16.143316 105.299895361737, 0 106.712808037575, 0 106.713043844285, 17.454952
106.713279651776, 26.335931 106.713515460049, 27.495423 106.713751269104, 20.857857
106.71398707894, 11.991529 106.714222244137, 0 107.068346054922, 0 107.068583041079, 13.752896
107.068820028023, 21.46921 107.069057015754, 24.701093 107.069294004271, 21.372429
107.069530993576, 13.735528 107.069767256406, 0 107.469024415525, 0 107.469262733224, 18.0695
107.469501051717, 24.884199 107.469739371002, 28.060418 107.46997769108, 25.948295
107.47021601195, 19.526774 107.470453688076, 0 107.82475894809, 0 107.824998450056, 15.1952
107.825237952821, 22.145869 107.825477456383, 24.448681 107.825716960744, 20.538339
107.825956465902, 13.022386 107.82619418433, 0 108.817346466805, 0 108.817589283498, 13.282254
108.817832101003, 20.530348 108.818074919321, 23.891021 108.818317738452, 21.598443
108.818560558396, 15.131339 108.81879912717, 0 111.160293953924, 0 111.160544654816, 13.736632
111.160795356556, 21.218696 111.161046059143, 24.398662 111.161296762579, 21.402147
111.161547466864, 14.75199 111.16179465797, 0 113.09630742666, 0 113.096564705454, 10.069799
113.096821985127, 37.783715 113.097079265677, 70.386624 113.097336547105, 97.231996
113.097593829411, 81.928873 113.097851112596, 47.79985 113.098108396658, 17.241634
113.098365606248, 0 113.137997967642, 0 113.13825538871, 13.941061 113.138512810657, 23.219894
113.138770233482, 29.97897 113.139027657186, 29.627067 113.139285081769, 22.396372
113.13954250723, 12.899156 113.139798439175, 0 113.970166507073, 0 113.970426773488, 13.346548
113.970687040795, 21.55644 113.970947308993, 25.755441 113.971207578083, 23.30793
113.971467848064, 15.891755 113.971726011354, 0 115.13168581816, 0 115.131950073429, 18.695402
115.132214329608, 26.054665 115.132478586696, 27.518871 115.132742844694, 21.870628
115.133007103602, 12.816592 115.133270574633, 0 115.566289487843, 0 115.566555240806, 15.258771
115.566820994685, 21.879852 115.567086749481, 24.571921 115.567352505194, 21.131094
115.567618261823, 13.235462 115.567882853208, 0 116.208887841796, 0 116.209155814389, 13.103937
116.20942378791, 21.268041 116.209691762357, 24.931914 116.209959737731, 22.069588
116.210227714032, 14.711434 116.210490477644, 0 119.091478935347, 0 119.091756940216, 12.311449
119.092034946058, 20.857513 119.092312952874, 25.760409 119.092590960664, 24.237746
119.092868969427, 17.370978 119.093139809988, 0 123.042505977462, 0 123.042797931261, 12.980545
123.043089886099, 20.318583 123.043381841977, 23.197092 123.043673798894, 20.989731
123.04396575685, 0 123.044549672488, 0 123.044841633561, 16.302404 123.045133595674, 34.777129
123.045425558825, 34.344697 123.045717523016, 22.589308 123.046009488246, 8.974519
123.046299902903, 0 123.910079482122, 0 123.910374529212, 11.237857 123.910669577355, 20.46541
123.910964626553, 26.519683 123.911259676804, 25.649109 123.911554728109, 18.698749
123.911849531019, 0 124.047685436904, 0 124.047980975619, 15.632878 124.04827651539, 24.347204
124.048572056217, 28.054178 124.0488675981, 23.664796 124.049163141039, 13.556296
124.049454554343, 0 126.32434206337, 0 126.324645775373, 15.950707 126.324949488471, 23.711702
126.325253202664, 26.648274 126.325556917952, 22.453286 126.325860634336, 13.468172
126.326156428137, 0 130.703351218378, 0 130.703670858644, 13.618058 130.703990500083, 21.111916
130.704310142693, 27.12332 130.704629786477, 27.509037 130.704949431433, 21.178189
130.705269077562, 11.370995 130.705579154097, 0 135.992364888899, 0 135.992704125889, 13.84269
135.993043364148, 22.572842 135.993382603676, 27.104387 135.993721844474, 24.246223
135.994061086541, 15.831345 135.994397047635, 0 137.801725935807, 0 137.802071965527, 15.78131
137.80241799655, 22.816889 137.802764028877, 25.852561 137.803110062507, 23.93762
137.80345609744, 18.561567 137.803800614195, 0 138.639803981546, 0 138.64015317277, 25.791827
138.640502365314, 28.178525 138.640851559177, 23.474859 138.64120075436, 13.452259
138.641549093347, 0 139.112064308449, 0 139.112415285412, 9.726884 139.112766263703, 26.295006
139.113117243323, 43.346715 139.113468224271, 33.88412 139.113819206547, 24.85055
139.114170190151, 14.209121 139.114513129504, 0 143.562563354089, 0 143.56293130784, 18.941566
143.563299263007, 28.471038 143.563667219587, 31.191841 143.564035177583, 26.03119
143.564403136993, 17.004427 143.564765714512, 0 146.530446923964, 0 146.530826346609, 15.347505
146.531205770728, 23.209938 146.53158519632, 26.074594 146.531964623387, 21.764176
146.532344051926, 12.971938 146.532717882072, 0 149.634775669979, 0 149.635167213686, 16.044256
149.63555875893, 23.523514 149.63595030571, 26.194432 149.636341854028, 21.658482
149.636733403882, 12.494951 149.637113774949, 0 155.799353615733, 0 155.799769602901, 16.265155
155.800185591735, 22.521545 155.800601582235, 24.702489 155.8010175744, 21.968359
155.801433568232, 15.690967 155.801848624841, 0 156.336110037816, 0 156.33652817656, 14.151466
156.336946316981, 22.28003 156.33736445908, 26.261151 156.337782602856, 23.304728
156.33820074831, 15.073597 156.338605690656, 0 163.617824953028, 0 163.618272643031, 12.541704
163.61872033487, 20.695058 163.619168028548, 24.851805 163.619615724062, 22.248642
163.620063421415, 14.31312 163.620495807682, 0 172.084840540293, 0 172.08532342718, 11.379922
172.085806316098, 21.647274 172.08628920705, 25.974387 172.086772100034, 21.672994
172.087254995051, 12.977691 172.087732196247, 0 175.25117643547, 0 175.251672711056, 19.092144
175.252168988749, 27.734342 175.252665268551, 31.464824 175.25316155046, 27.778634
175.253657834478, 18.902045 175.254153732242, 0 175.465266322922, 0 175.465763508174, 15.368092
175.466260695539, 21.371271 175.466757885017, 24.485675 175.467255076608, 23.630741
175.467752270313, 19.588251 175.468247347925, 0 176.633482010941, 0 176.633984169703, 10.905223
176.634486330608, 22.860695 176.634988493653, 32.343838 176.63549065884, 33.472404
176.635992826169, 25.608256 176.636494995639, 14.002527 176.636994728786, 0
177.978864855741, 0 177.979372762687, 11.740289 177.979880671806, 21.228313
177.9803885831, 24.912311 177.980896496568, 20.803899 177.98140441221, 13.735828
177.981911903451, 0 178.214258081579, 0 178.214766996488, 18.191305 178.215275913576, 23.698312
178.215784832845, 25.062636 178.216293754293, 21.636215 178.216802677921, 14.985564
178.217310321182, 0 178.921710679067, 0 178.922222627322, 16.441181 178.922734577775, 24.506269
178.923246530425, 26.620635 178.923758485273, 21.627413 178.924270442317, 12.989482
178.924782170067, 0 179.068729791996, 0 179.069122743111, 199.904799 179.069635324696, 1256.298447
179.070147908481, 4276.804733 179.070660494467, 7504.558563 179.071173082655, 10000
179.071685673043, 8076.943207 179.072198265632, 4860.007477 179.072710860422, 1930.304718
179.073223457412, 704.89502 179.073736056604, 294.01269 179.074248657997, 131.928349
179.074761261591, 9.988965 179.075222452966, 0 180.072286398796, 0 180.072803293922, 46.153992
180.073320191274, 213.726163 180.073837090852, 435.904694 180.074353992656, 663.319588
180.074870896685, 641.899967 180.075387802939, 417.93766 180.07590471142, 210.439754
180.076421622126, 76.855159 180.076938535058, 29.340249 180.077455450215, 7.328084
180.078191096476, 0 185.843841818394, 0 185.844383761343, 17.999534 185.844925706663, 27.627459
185.845467654353, 30.92545 185.846009604414, 26.493624 185.846551556846, 18.168543
185.847090492271, 0 187.869773736694, 0 187.870324565547, 15.401039 187.870875396822, 26.146919
187.871426230519, 32.67929 187.87197706664, 31.242895 187.872527905182, 23.186009
187.873078746148, 13.425657 187.873684131613, 0 193.084875190179, 0 193.085449113002, 10.349408
193.086023038384, 35.382316 193.086596966325, 64.20294 193.087170896825, 73.649031
193.087744829884, 48.539081 193.088318765502, 22.611427 193.088891532424, 0
194.08854131454, 0 194.089119718101, 18.635921 194.089698124248, 28.267407
194.09027653298, 32.734507 194.090854944297, 28.617898 194.091433358201, 18.100834
194.092058792408, 0 212.586060880236, 0 212.586723910138, 17.839943 212.587386943142, 25.746316
212.588049979248, 28.637597 212.588713018455, 24.307975 212.589376060765, 15.465328
212.590102097677, 0 223.368689926041, 0 223.369404034524, 15.658456 223.370118146432, 24.755518
223.370832261764, 28.226867 223.371546380521, 23.985939 223.372260502702, 15.049674
223.373045820479, 0 227.964492010393, 0 227.965228270642, 16.449235 227.965964534458, 25.231168
227.966700801841, 28.930852 227.967437072791, 25.389042 227.968173347308, 17.169496
227.968908626257, 0 232.981694115775, 0 232.982454815486, 14.534864 232.983215518923, 34.111455
232.983976226085, 55.694658 232.984736936973, 60.105807 232.985497651586, 41.942689
232.986258369926, 21.137524 232.987096544458, 0 251.028498518933, 0 251.029349294315, 13.333078
251.030200074023, 22.942667 251.031050858056, 29.850066 251.031901646414, 30.21951
251.032752439097, 23.743516 251.033603236106, 14.158496 251.034454279856, 0
252.987308265242, 0 252.988169018107, 13.80955 252.989029775365, 45.143974
252.989890537016, 80.145615 252.990751303059, 100.726688 252.991612073496, 75.579131
252.992472848325, 42.232433 252.993333627548, 12.935217 252.993896503693, 0
258.217855870879, 0 258.218743455113, 17.680643 258.219631043924, 35.772884
258.220518637311, 34.561634 258.221406235274, 25.995564 258.222293837814, 14.424188
258.223184168976, 0 264.315847915977, 0 264.316767126501, 11.930268 264.317686341821, 22.321953
264.318605561935, 30.857477 264.319524786845, 31.747031 264.32044401655, 24.116634
264.32136325105, 12.725002 264.322282567842, 0 264.489664009517, 0 264.490584126911, 13.840848
264.491504249106, 22.534579 264.492424376102, 27.820793 264.493344507901, 26.39066
264.4942646445, 19.35083 264.495185000411, 0 264.969696570517, 0 264.970619193983, 11.93798
264.971541822269, 22.073394 264.972464455373, 30.960685 264.973387093297, 31.365451
264.974309736039, 22.368008 264.9752323836, 9.636886 264.975838967654, 0
275.160416467874, 0 275.161392827687, 10.517945 275.162369192697, 84.563291
275.163345562904, 242.789078 275.164321938308, 410.178328 275.165298318908, 497.954798
275.166274704705, 369.809699 275.167251095699, 212.681961 275.16822749189, 78.433824
275.169203893278, 26.143396 275.170180299863, 3.276177 275.171479946658, 0
276.165224046572, 0 276.166205757623, 11.194941 276.167187473909, 38.588673
276.16816919543, 69.102556 276.169150922186, 80.976433 276.170132654176, 57.176805
276.171114391401, 30.691969 276.172096133861, 15.004472 276.173082323499, 0
285.939849866677, 0 285.940884156467, 19.113211 285.941918451869, 25.456393
285.942952752883, 28.152296 285.943987059508, 24.558574 285.945021371746, 15.623291
285.946057156778, 0 289.168049136526, 0 289.169100991034, 15.441874 289.170152851282, 24.086967
289.171204717268, 27.763265 289.172256588995, 23.664381 289.17330846646, 14.656019
289.174362423124, 0 293.730631252282, 0 293.731708099474, 19.148812 293.732784952587, 27.515742
293.733861811622, 28.920278 293.734938676579, 23.082718 293.736015547458, 14.769219
293.737095839622, 0 296.098840882963, 0 296.099930779521, 13.378535 296.101020682096, 22.742379
296.102110590689, 28.67707 296.1032005053, 26.949814 296.104290425929, 18.993501
296.105380585391, 0 296.603014873809, 0 296.60410755524, 21.452412 296.605200242708, 28.248081
296.606292936215, 29.386741 296.60738563576, 23.871952 296.608478341343, 14.79457
296.609572522985, 0 299.781811329921, 0 299.782921624308, 15.979585 299.784031924863, 24.499205
299.785142231587, 28.806594 299.786252544479, 25.657699 299.78736286354, 17.120975
299.788473188768, 0 
##END=$$ End of the data block
