##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=8420518.000000
##DATA TYPE=MASS SPECTRUM
##DATA CLASS=PEAK TABLE
##ORIGIN=
##OWNER=
##.IONIZATION MODE=ESI-
##SPECTROMETER/DATA SYSTEM=LTQ Orbitrap XL/LTQ FT Ultra
$$ =====================================================
$$ 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=594
##FIRSTX=292.33319092
##LASTX=1970.32092285
##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)
292.333194099657, 0 292.335082468898, 12.013169 292.336970856437, 18.930015
292.338859262273, 21.088189 292.340747686408, 18.857405 292.34263612884, 14.166817
292.344518282334, 0 299.72753870792, 0 299.729499175773, 9.017503 299.73145966286, 27.544886
299.733420169182, 41.853935 299.73538069474, 39.83821 299.737341239533, 23.777889
299.739301790668, 25.456935 299.741262373933, 39.632401 299.743222976433, 46.151051
299.745183598171, 58.490407 299.747144239145, 82.884973 299.749104899356, 100.19691
299.751065578804, 91.231829 299.753026277489, 61.564547 299.754986995412, 36.746582
299.756947732574, 16.281864 299.75890847675, 0 299.760869252387, 19.431393
299.762830047264, 34.77101 299.76479086138, 35.374424 299.766751694735, 21.417518
299.768712547329, 7.30249 299.770672989358, 0 300.936867320832, 0 300.93883966569, 15.345398
300.940812029937, 20.51184 300.942784413575, 21.787719 300.944756816604, 20.714447
300.946729239024, 17.700051 300.948699808237, 0 309.635586194553, 0 309.637644671884, 16.177022
309.639703169742, 19.400837 309.641761688128, 20.168154 309.643820227042, 20.428351
309.645878786484, 17.944284 309.647938010232, 0 314.353308400386, 0 314.355414102106, 15.659049
314.357519824983, 25.921938 314.359625569019, 35.888305 314.361731334213, 38.394544
314.363837120565, 25.669822 314.365942928076, 3.313567 314.36805317366, 0
323.088786216396, 0 323.090980297324, 16.871062 323.093174400601, 36.020264
323.09536852623, 59.015697 323.097562674208, 66.727388 323.099756844537, 49.925748
323.101951037218, 21.691981 323.10414525225, 3.081821 323.106374028575, 0
356.723285660959, 0 356.725831125462, 10.418918 356.728376617211, 19.66749
356.730922136206, 24.276271 356.733467682447, 18.552227 356.736013255934, 4.323988
356.738566386471, 0 361.942039737111, 0 361.94464126451, 8.591001 361.947242819958, 20.089336
361.949844403455, 25.442016 361.952446015001, 23.694006 361.955047654597, 17.894751
361.957673205895, 0 375.28135739064, 0 375.284104053472, 43.502361 375.286850746458, 91.384977
375.289597469598, 107.656515 375.292344222894, 82.45917 375.295091006345, 41.73643
375.297837819952, 14.381681 375.300609600925, 0 391.134064777061, 0 391.136987302781, 10.111086
391.139909861257, 19.31611 391.142832452488, 23.758703 391.145755076477, 20.806509
391.148677733222, 11.459963 391.151608029185, 0 396.072633007393, 0 396.075611058449, 15.28217
396.078589143093, 25.626069 396.081567261326, 28.281897 396.084545413147, 20.738773
396.087523598558, 7.738376 396.09054057283, 0 415.461724725986, 0 415.464924110421, 11.533818
415.468123531814, 20.393425 415.471322990164, 24.920936 415.474522485472, 23.155724
415.477722017739, 16.56462 415.480980883225, 0 453.89954320209, 0 453.903196705984, 15.0768
453.90685025399, 19.939545 453.910503846108, 21.018675 453.914157482339, 19.83308
453.917811162684, 18.440425 453.921472206248, 0 459.366559290998, 0 459.370279000576, 18.33764
459.373998755334, 186.317229 459.377718555274, 460.676527 459.381438400396, 669.64221
459.3851582907, 643.056297 459.388878226188, 404.518175 459.392598206861, 144.842637
459.396318232718, 12.529406 459.40004023723, 0 460.368794031704, 0 460.372525921288, 15.261091
460.376257856251, 37.059078 460.379989836592, 107.07314 460.383721862313, 176.982725
460.387453933414, 189.34145 460.391186049896, 132.56793 460.394918211759, 52.749401
460.398650419005, 2.148184 460.402516154039, 0 511.547187671538, 0 511.551558850246, 13.507995
511.555930084981, 19.333634 511.560301375745, 23.56668 511.564672722538, 23.494272
511.569044125363, 19.437838 511.57341558422, 14.292637 511.577785044988, 0
521.494436682948, 0 521.498935979056, 18.32836 521.503435333392, 26.031378
521.507934745957, 26.394719 521.512434216752, 21.652235 521.516933745779, 15.65775
521.521432495926, 0 537.328083948262, 0 537.332789704605, 29.867706 537.337495522765, 74.635214
537.342201402744, 95.164049 537.346907344542, 75.156355 537.351613348162, 33.910379
537.356319413604, 3.625987 537.361025540869, 0 538.336526439435, 0 538.341245449489, 19.785614
538.345964521592, 31.191063 538.350683655747, 24.941729 538.355402851954, 9.056283
538.360122110214, 0 539.087629163617, 0 539.092358053299, 14.904507 539.097087005205, 23.01327
539.101816019335, 32.926995 539.10654509569, 41.82269 539.111274234273, 40.057036
539.116003435082, 26.250067 539.120732698121, 9.643677 539.125462023389, 0
553.264084255205, 0 553.269000900895, 10.813799 553.273917612124, 67.599702
553.278834388893, 118.435061 553.283751231203, 120.631933 553.288668139056, 72.188133
553.293585112452, 14.475586 553.298502151393, 0 553.765919906578, 0 553.77084324324, 9.971694
553.77576664556, 28.368816 553.78069011354, 40.656319 553.785613647179, 48.24844
553.79053724648, 61.44855 553.795460911444, 63.771516 553.800384642071, 43.055409
553.805308438362, 14.917624 553.810232300321, 0 584.290847764318, 0 584.296183741364, 13.101202
584.301519791506, 20.270193 584.306855914745, 23.553993 584.312192111083, 21.039759
584.317528380521, 14.006497 584.322864723059, 0 584.392243828878, 0 584.397581194974, 16.030584
584.40291863419, 22.143471 584.40825614653, 23.24073 584.413593731993, 20.498931
584.418931390581, 17.559887 584.424269122296, 0 603.407277608207, 0 603.41287758495, 43.897659
603.41847763965, 116.647065 603.424077772308, 164.394879 603.429677982927, 147.087038
603.435278271507, 80.294526 603.44087863805, 17.42021 603.446479082558, 0
604.40530286578, 0 604.410916741718, 0.091656 604.416530695871, 20.536634
604.422144728241, 47.801182 604.427758838829, 60.045213 604.433373027637, 45.701939
604.438987294665, 17.00353 604.444601639916, 0 607.176805878273, 0 607.18245841227, 17.160982
607.188111025202, 23.367614 607.19376371707, 26.406297 607.199416487875, 23.81649
607.205069337618, 14.946871 607.210722266301, 0 614.304572134473, 0 614.310324494698, 5.776994
614.31607693572, 20.115328 614.321829457543, 26.911709 614.327582060167, 22.725649
614.333334743593, 14.723867 614.339087507825, 0 615.727863603755, 0 615.733635967228, 10.304407
615.739408411874, 18.68991 615.745180937694, 24.567395 615.750953544691, 21.171075
615.756726232866, 11.197428 615.762499002219, 0 621.412253727251, 0 621.418106210806, 269.354153
621.423958777039, 987.078094 621.429811425953, 1859.721375 621.435664157549, 2240.879059
621.441516971828, 1800.294876 621.447369868793, 907.782745 621.453222848444, 206.814456
621.459075910783, 27.074209 621.464929055812, 35.434142 621.470782283533, 43.257034
621.476635593946, 58.295214 621.482488987054, 34.244424 621.488342462858, 4.82077
621.494196021359, 0 622.408364867687, 0 622.414231429052, 4.997212 622.420098073362, 48.758784
622.425964800617, 271.382117 622.431831610819, 584.434652 622.437698503971, 769.543266
622.443565480073, 672.234392 622.449432539127, 378.844857 622.455299681134, 114.143145
622.461166906096, 1.399977 622.467034214015, 0 659.030942964928, 0 659.037334855723, 16.052711
659.043726839511, 19.662531 659.050118916294, 20.784807 659.056511086072, 20.879166
659.062903348848, 19.809462 659.069295704623, 15.928134 659.0756881534, 0
699.367722668267, 0 699.374710286631, 12.961821 699.381698009719, 20.689216
699.388685837533, 22.557095 699.395673770075, 19.353208 699.402661807348, 13.247819
699.409649949354, 0 739.040883971101, 0 739.048474528252, 12.27639 739.056065202345, 20.646669
739.063655993384, 23.623575 739.07124690137, 19.933701 739.078837926306, 12.893142
739.086429068194, 0 740.401458975912, 0 740.409070504136, 14.009285 740.416682149734, 23.951355
740.424293912708, 26.473948 740.43190579306, 20.489515 740.439517790794, 10.96603
740.447129905911, 0 765.436560321562, 0 765.44456114828, 4.135511 765.452562100443, 67.529815
765.460563178055, 272.878838 765.468564381117, 551.622581 765.476565709633, 708.81629
765.484567163604, 612.657213 765.492568743034, 344.516015 765.500570447925, 104.22014
765.50857227828, 0.741917 765.516574234102, 0 766.445653225255, 0 766.453669878774, 8.43638
766.46168665807, 87.61484 766.469703563145, 217.68961 766.477720594001, 320.376778
766.485737750642, 316.043496 766.493755033069, 208.793712 766.501772441287, 82.197851
766.509789975296, 9.210297 766.5178076351, 0 776.295781859982, 0 776.303953551119, 7.548074
776.312125371285, 20.671108 776.320297320485, 26.273346 776.32846939872, 19.007757
776.336641605993, 4.89434 776.344813942307, 0 783.280273011628, 0 783.288555234525, 7.376138
783.296837588784, 26.896751 783.305120074408, 19.348492 783.3134026914, 23.179072
783.321685439762, 1.835203 783.329968319499, 0 783.429373124479, 0 783.437657712323, 11.995585
783.445942431581, 18.599862 783.454227282253, 31.593367 783.462512264343, 557.119608
783.470797377854, 2404.090881 783.479082622789, 4906.949234 783.48736799915, 6299.138641
783.49565350694, 5403.120041 783.503939146162, 2985.465622 783.512224916818, 869.512844
783.520510818912, 28.222287 783.528796852446, 33.888474 783.537083017423, 5.493146
783.545369313846, 0 784.457665030937, 0 784.465965935139, 232.831049 784.474266971099, 952.043629
784.482568138819, 1901.028633 784.490869438303, 2408.914566 784.499170869552, 2049.412918
784.507472432571, 1124.667072 784.515774127361, 320.838451 784.524075953925, 5.704307
784.532377912266, 0 785.463031803368, 0 785.471348670508, 33.209914 785.479665669743, 108.576572
785.487982801076, 185.984623 785.496300064511, 209.042454 785.504617460049, 158.531964
785.512934987695, 74.689746 785.521252647449, 14.515524 785.529570439317, 0
795.818938259367, 0 795.82742014836, 16.970642 795.835902172955, 23.008829
795.844384333155, 24.567877 795.852866628963, 22.007452 795.86134906038, 15.218291
795.869831627412, 0 798.216214342324, 0 798.224734585829, 15.048534 798.233254965754, 31.847835
798.241775482102, 50.571257 798.250296134875, 55.704182 798.258816924077, 39.657292
798.267337849711, 14.031954 798.275858911779, 0 810.453801990685, 0 810.462518922156, 14.927062
810.471235994262, 22.162396 810.479953207006, 24.432476 810.488670560391, 21.591906
810.49738805442, 14.301741 810.506105689096, 0 835.505682064253, 0 835.514806277845, 12.430375
835.523930640901, 21.459681 835.533055153423, 26.915076 835.542179815416, 24.654783
835.551304626883, 15.056302 835.560429587826, 0 916.326059980784, 0 916.336539628709, 12.365311
916.347019456413, 30.983138 916.357499463899, 46.861416 916.367979651173, 42.790359
916.378460018237, 24.992706 916.388940565097, 10.709334 916.399421291756, 0
927.482851347445, 0 927.493522971309, 3.777768 927.504194779355, 20.508005
927.51486677159, 78.540146 927.525538948016, 129.056716 927.536211308637, 130.10751
927.546883853459, 83.266807 927.557556582485, 29.073557 927.56822949572, 0.441104
927.578902593168, 0 928.497478579376, 0 928.508167719582, 6.126302 928.518857044375, 31.274688
928.529546553758, 53.171957 928.540236247735, 55.424249 928.550926126312, 39.110208
928.561616189492, 20.067821 928.57230643728, 8.942771 928.58299686968, 0
945.476592836528, 0 945.487576517635, 17.754664 945.498560390142, 84.749311
945.509544454052, 1394.999981 945.520528709371, 4699.94812 945.531513156102, 8532.626343
945.542497794249, 10000 945.553482623818, 7829.933929 945.564467644813, 3856.744766
945.575452857238, 910.099506 945.586438261098, 39.276153 945.597423856396, 0
945.652354704633, 0 945.66334144866, 45.997483 945.674328384157, 22.957981
945.685315511129, 70.008981 945.696302829581, 0 946.498894562344, 0 946.50989606261, 375.145698
946.520897754688, 1549.667263 946.531899638584, 3155.573273 946.542901714303, 4075.784302
946.553903981848, 3536.415863 946.564906441224, 1992.147446 946.575909092435, 608.189964
946.586911935487, 37.75101 946.597914970382, 1.520059 946.608918197127, 0
947.500817103721, 0 947.511836077266, 5.154087 947.522855243031, 148.533738
947.533874601019, 347.121572 947.544894151236, 469.774771 947.555913893686, 418.287182
947.566933828374, 236.451697 947.577953955303, 65.750092 947.588974274478, 5.499864
947.599994785905, 0 968.435749758675, 0 968.447135938722, 13.796653 968.458522319578, 21.285702
968.469908901245, 24.077342 968.48129568373, 21.019758 968.492682667037, 15.066375
968.50406985117, 0 970.408550532099, 0 970.419971522236, 10.074456 970.431392713999, 21.414459
970.442814107394, 28.91801 970.454235702425, 27.983719 970.465657499096, 20.052303
970.477079497413, 10.024712 970.488501697381, 0 1062.716941636326, 0 1062.730030398422, 16.623145
1062.743119402329, 38.450211 1062.756208648052, 55.989337 1062.769298135597, 55.591738
1062.78238786497, 37.532651 1062.795477836178, 15.307572 1062.808568049225, 0
1091.712552936844, 0 1091.726181018496, 9.130576 1091.739809355333, 20.196658
1091.753437947363, 25.252965 1091.767066794591, 21.586159 1091.780695897024, 15.440176
1091.794325254668, 0 1109.549126903769, 0 1109.563090334598, 18.027535
1109.577054029019, 40.023595 1109.591017987039, 63.3825 1109.604982208665, 68.062323
1109.618946693904, 48.920861 1109.632911442761, 20.429374 1109.646876455244, 0
1193.277980716835, 0 1193.293554175216, 17.365356 1193.309127938474, 22.537427
1193.324702006616, 24.171497 1193.34027637965, 19.969641 1193.355851057585, 9.545601
1193.371426040428, 0 1247.210510121515, 0 1247.227151237784, 12.030035
1247.243792687112, 38.777429 1247.260434469507, 59.280097 1247.277076584979, 55.346805
1247.293719033536, 31.216857 1247.310361815187, 7.758368 1247.327004929941, 0
1300.549368418135, 0 1300.567088399359, 18.318474 1300.584808742737, 25.828972
1300.602529448282, 25.828755 1300.620250516002, 20.278747 1300.637971945907, 14.982042
1300.655693738007, 0 1472.250643173618, 0 1472.271985718084, 12.220619
1472.293328726644, 20.721979 1472.314672199313, 22.739173 1472.336016136103, 19.972217
1472.357360537029, 13.51456 1472.378705402103, 0 1484.275501913531, 0 1484.29710647147, 7.613396
1484.318711501117, 20.581189 1484.340317002484, 33.724675 1484.361922975586, 34.646139
1484.383529420436, 21.445829 1484.405136337048, 3.476619 1484.426743725435, 0
1594.227769276353, 0 1594.251818414491, 13.641845 1594.275868096812, 20.30351
1594.299918323332, 22.396381 1594.323969094068, 20.611772 1594.348020409036, 16.176432
1594.372072268253, 0 1671.426307387607, 0 1671.452124345107, 17.615752
1671.47794190077, 27.021033 1671.503760054614, 30.099177 1671.529578806658, 23.484927
1671.55539815692, 11.13366 1671.581218105419, 0 1736.764767279042, 0 1736.792112782096, 12.460192
1736.819458930994, 20.071624 1736.846805725755, 23.885523 1736.874153166402, 22.080469
1736.901501252953, 14.693259 1736.928849985429, 0 1795.933247912259, 0
1795.962002681628, 2.077508 1795.990758141596, 31.609067 1796.019514292186, 80.094284
1796.04827113342, 146.798754 1796.07702866532, 179.59677 1796.105786887908, 150.584841
1796.134545801206, 87.851578 1796.163305405236, 35.511833 1796.192065700021, 4.93731
1796.220826685583, 0 1848.591585355986, 0 1848.621614034807, 12.698229
1848.651643445321, 19.797221 1848.681673587551, 23.80251 1848.71170446152, 21.862423
1848.741736067252, 13.109869 1848.771768404772, 0 1932.704011687997, 0
1932.736113019729, 15.774277 1932.768215151255, 21.313363 1932.8003180826, 23.354982
1932.832421813792, 20.801812 1932.864526344857, 14.868136 1932.896631675821, 0
1947.100965149402, 0 1947.133425841841, 14.371482 1947.165887346034, 20.3353
1947.198349662007, 21.592373 1947.230812789788, 19.885457 1947.263276729403, 14.404081
1947.29574148088, 0 1970.023597295295, 0 1970.056632901798, 5.626103 1970.089669339282, 30.607563
1970.122706607772, 75.33744 1970.155744707297, 109.415591 1970.188783637885, 103.878832
1970.221823399564, 65.062171 1970.254863992362, 25.699118 1970.287905416306, 8.091897
1970.320947671425, 0 
##END=$$ End of the data block
