##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=9619844.000000
##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=693
##FIRSTX=299.68444824
##LASTX=1970.61853027
##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)
299.68444679885, 0 299.686406843822, 9.228878 299.688366908023, 18.719703
299.690326991453, 21.72161 299.692287094114, 27.529883 299.694247216004, 31.289759
299.696207357124, 23.267977 299.698167509588, 29.80423 299.700127689169, 75.161517
299.702087887981, 114.178896 299.704048106025, 116.83172 299.7060083433, 82.153422
299.707968599806, 38.142246 299.709928875545, 17.175788 299.711889160591, 22.582488
299.713849474794, 34.0013 299.71580980823, 34.74054 299.717770160899, 25.035283
299.719730532801, 16.392642 299.721689232683, 0 314.401780030201, 0 314.403886218855, 10.878504
314.405992428673, 23.813607 314.408098659656, 34.728706 314.410204911803, 35.638145
314.412311185115, 23.110729 314.414417479593, 4.588601 314.416528203768, 0
323.088822315475, 0 323.091016396648, 13.287634 323.093210500171, 44.058266
323.095404626044, 82.393163 323.097598774268, 98.784149 323.099792944842, 79.201913
323.101987137768, 40.555727 323.104181353045, 11.062331 323.106378024336, 0
325.322937719369, 0 325.325154597508, 14.074111 325.327371498308, 19.002627
325.329588421767, 21.599251 325.331805367888, 19.425935 325.334022336669, 12.793218
325.336245761077, 0 331.839277868338, 0 331.8415616863, 6.321579 331.843845527838, 19.842976
331.846129392954, 27.489448 331.848413281647, 23.819308 331.850697193918, 9.709659
331.852986165778, 0 339.499099648439, 0 339.501462996867, 16.990204 339.503826369972, 26.694608
339.506189767756, 28.008738 339.508553190219, 21.040478 339.510916637361, 8.460719
339.513282600645, 0 341.781714313148, 0 341.784101536489, 13.226341 341.786488784841, 23.445402
341.788876058204, 28.083831 341.791263356579, 22.77862 341.793650679966, 10.258624
341.796085014724, 0 373.717962714517, 0 373.720692231483, 15.555657 373.723421778352, 27.238503
373.726151355125, 28.090268 373.728880961802, 19.856638 373.731610598385, 10.180988
373.73434283669, 0 375.275906085234, 0 375.278652688066, 5.655481 375.281399321051, 19.87582
375.28414598419, 53.247482 375.286892677483, 94.107294 375.28963940093, 111.328638
375.292386154533, 88.366401 375.295132938291, 43.225464 375.297879752205, 7.913604
375.300628263517, 0 376.283182057758, 0 376.285939726224, 4.119492 376.288697425005, 19.10266
376.291455154101, 33.443806 376.294212913514, 36.797684 376.296970703244, 28.375527
376.29972852329, 16.625461 376.302517359208, 0 396.141181050496, 0 396.144159874534, 9.066618
396.147138732171, 19.405448 396.150117623409, 25.099233 396.153096548246, 22.168458
396.156075506685, 14.466891 396.1590696724, 0 405.339008543195, 0 405.342091713207, 10.750229
405.345174918397, 18.132257 405.348258158766, 23.269783 405.351341434313, 26.91592
405.35442474504, 26.423717 405.357508090947, 20.165464 405.360591472035, 10.356534
405.363705205079, 0 417.845920089952, 0 417.849147053961, 17.542329 417.852374055352, 19.592226
417.855601094126, 20.157255 417.858828170283, 20.602724 417.862055283825, 19.890344
417.865282434751, 16.51663 417.868562067247, 0 459.366610616249, 0 459.370330326242, 13.563091
459.374050081416, 162.596881 459.377769881772, 419.657516 459.381489727309, 625.077581
459.385209618029, 610.321903 459.388929553933, 387.833166 459.392649535021, 136.225462
459.396369561294, 6.660992 459.400091566877, 0 460.37257735959, 0 460.37630929497, 26.571593
460.380041275728, 83.780938 460.383773301866, 142.210317 460.387505373384, 156.984639
460.391237490282, 113.695157 460.394969652563, 46.887693 460.398701860226, 3.939645
460.402526895676, 0 485.522468677767, 0 485.526510562497, 11.324067 485.5305524977, 18.742466
485.534594483375, 22.567245 485.538636519524, 20.49157 485.542678606148, 13.762826
485.546752608663, 0 497.484745103983, 0 497.488937280754, 0.460041 497.493129510514, 19.030367
497.497321793266, 26.330119 497.501514129009, 19.723314 497.505706517745, 4.376619
497.509906299444, 0 518.176456152453, 0 518.180912576731, 9.38191 518.185369058499, 19.173901
518.189825597758, 22.41144 518.194282194508, 18.076555 518.19873884875, 11.603525
518.203194162923, 0 537.323438288747, 0 537.328143983799, 6.745779 537.332849740667, 47.406256
537.337555559353, 93.076968 537.342261439857, 111.356473 537.346967382182, 87.107664
537.351673386328, 40.192485 537.356379452295, 4.563255 537.361085580086, 0
539.187009158511, 0 539.19173935564, 10.724776 539.196469615015, 33.650783
539.201199936637, 54.71586 539.205930320508, 53.920346 539.210660766628, 35.837987
539.215391274998, 20.174196 539.220121845621, 12.933481 539.224852478496, 0
541.122110063691, 0 541.126865748218, 16.69689 541.131621495439, 24.215935
541.136377305355, 27.166742 541.141133177967, 22.727753 541.145889113277, 11.316524
541.150645111284, 0 548.350999645636, 0 548.355850945381, 15.807658 548.360702309505, 27.074474
548.365553738011, 31.220978 548.370405230899, 26.3385 548.37525678817, 14.770746
548.380108409826, 0 553.269062717499, 0 553.273979429277, 11.102153 553.278896206595, 38.08533
553.283813049455, 49.966908 553.288729957857, 42.356354 553.293646931802, 30.728486
553.298563971293, 23.938954 553.303481076329, 18.851224 553.308398246912, 14.834109
553.313315483043, 0 553.765981778701, 0 553.770905115914, 14.964394 553.775828518785, 30.512264
553.780751987314, 40.994859 553.785675521503, 41.586357 553.790599121355, 35.990256
553.795522786868, 33.915779 553.800446518045, 31.386468 553.805370314887, 20.852558
553.810294177395, 7.232725 553.815218105571, 0 559.566499408031, 0 559.571500303268, 12.939714
559.576501265546, 18.216354 559.581502294865, 19.726078 559.586503391227, 18.776456
559.591504554633, 16.024944 559.596505785085, 0 582.077470293666, 0 582.082775978865, 16.11491
582.088081736607, 18.95064 582.093387566894, 19.883031 582.098693469726, 20.872211
582.103999445105, 18.179199 582.109305493033, 0 595.621203250767, 0 595.626695188127, 7.40717
595.632187201445, 19.816969 595.637679290723, 23.686802 595.643171455962, 19.143049
595.648663697163, 10.792085 595.654156014329, 0 599.645072016688, 0 599.650619701398, 15.240726
599.656167463096, 24.308161 599.661715301784, 28.24764 599.667263217462, 24.008356
599.672811210133, 15.39814 599.678359279797, 0 603.401745127308, 0 603.407345026721, 12.12557
603.41294500409, 57.553071 603.418545059415, 124.413311 603.4241451927, 166.923892
603.429745403944, 146.899033 603.43534569315, 79.058295 603.440946060318, 16.691078
603.446546505452, 0 604.405370395803, 0 604.410984272368, 15.018876 604.416598227148, 19.11485
604.422212260146, 43.674549 604.427826371361, 64.922976 604.433440560796, 64.016807
604.439054828451, 42.723054 604.44466917433, 16.661145 604.450283598432, 0
613.299220539741, 0 613.30495878417, 6.353799 613.310697109133, 25.735918
613.316435514632, 36.100459 613.322174000668, 29.862079 613.327912567242, 11.132646
613.333651214357, 0 613.804494499385, 0 613.810239836585, 14.37109 613.815985254452, 26.400527
613.821730752988, 29.271257 613.827476332193, 20.613167 613.833221992069, 7.289369
613.838967732618, 0 621.412323157446, 0 621.418175641655, 249.762321 621.424028208542, 969.537735
621.42988085811, 1894.364166 621.435733590359, 2353.388405 621.441586405293, 1951.800728
621.447439302911, 1032.590675 621.453292283216, 278.380132 621.45914534621, 0
622.414300971197, 0 622.420167616162, 54.712975 622.426034344073, 271.835542
622.431901154931, 592.751646 622.437768048738, 798.428392 622.443635025495, 714.169025
622.449502085205, 411.635351 622.455369227868, 126.014447 622.461236453486, 4.782775
622.46710376206, 0 623.418704158052, 0 623.424585009495, 0.230913 623.430465944152, 18.966848
623.436346962024, 38.531435 623.442228063113, 48.515093 623.448109247421, 41.36925
623.453990514948, 22.428302 623.459871865697, 6.377094 623.465753299669, 0
701.531968739689, 0 701.538988818448, 10.20207 701.54600900258, 28.114405
701.553029292088, 41.592109 701.560049686973, 39.915952 701.567070187238, 20.490883
701.574090792885, 0 705.614294683965, 0 705.621376128478, 11.90064 705.628457679594, 19.827092
705.635539337316, 24.408904 705.642621101645, 20.641929 705.649702972584, 9.404252
705.656784950135, 0 709.346767813108, 0 709.353905519958, 12.232148 709.361043334541, 23.448636
709.36818125686, 29.330969 709.375319286918, 27.608922 709.382457424717, 19.848572
709.389595670258, 9.521509 709.396734023544, 0 758.278556175174, 0 758.286445033759, 9.698525
758.294334015454, 19.137736 758.302223120261, 23.732901 758.310112348184, 20.774832
758.318001699225, 13.731554 758.325891173386, 0 765.444646671064, 0 765.452647624121, 66.593742
765.460648702627, 285.357189 765.468649906583, 601.025391 765.476651235992, 798.710155
765.484652690858, 710.663033 765.492654271182, 408.829784 765.500655976967, 122.262716
765.508657808216, 0 766.44573885989, 0 766.453755514305, 10.276632 766.461772294496, 67.790639
766.469789200467, 168.304622 766.477806232219, 251.338625 766.485823389755, 250.619936
766.493840673079, 166.622853 766.501858082192, 66.717982 766.509875617097, 11.247472
766.517893277797, 0 776.42663115309, 0 776.434804909948, 9.698341 776.442978795879, 30.259413
776.451152810886, 45.314848 776.459326954973, 41.20729 776.467501228141, 23.357002
776.475675630394, 8.522537 776.483850161734, 0 783.446029965639, 0 783.454314817237, 0.011503
783.462599800253, 528.110123 783.47088491469, 2233.49514 783.47917016055, 4650.437164
783.487455537836, 6103.552246 783.495741046552, 5356.245041 783.5040266867, 3038.424301
783.512312458282, 923.188496 783.520598361302, 39.650685 783.528884395762, 15.114947
783.537170561665, 0 784.449451904659, 0 784.457752678034, 10.554442 784.466053583163, 207.2294
784.474354620051, 858.704853 784.482655788699, 1753.808403 784.49095708911, 2271.567154
784.499258521287, 1977.751923 784.507560085233, 1117.66367 784.51586178095, 338.11605
784.524163608442, 15.167187 784.532465567711, 0 785.454802826818, 0 785.463119562793, 1.605052
785.471436430862, 30.221745 785.479753431027, 99.98529 785.488070563289, 174.078548
785.496387827653, 195.932043 785.504705224121, 146.468639 785.513022752696, 64.80636
785.52134041338, 6.004771 785.529658206177, 0 798.182223912963, 0 798.190743611769, 4.950773
798.199263446983, 22.84026 798.207783418609, 39.748842 798.216303526648, 45.013574
798.224823771105, 35.673356 798.233344151982, 18.522404 798.241864669281, 0
803.533753706595, 0 803.542359231623, 17.567669 803.550964894894, 22.18592
803.559570696412, 23.407297 803.568176636179, 21.006496 803.576782714198, 16.43538
803.585388930473, 0 870.306722019787, 0 870.316422203198, 15.686779 870.326122548784, 21.088758
870.335823056548, 23.512733 870.345523726493, 22.811101 870.355224558624, 19.264776
870.364925552943, 14.097098 870.374626709455, 0 883.749615509167, 0 883.759541305197, 11.168544
883.76946726845, 23.407093 883.77939339893, 28.363374 883.789319696641, 26.247966
883.799246161585, 21.085106 883.809172793768, 15.104793 883.819099593193, 0
889.705198820692, 0 889.715225120906, 12.292358 889.725251590605, 19.826096
889.735278229791, 23.271509 889.74530503847, 19.330116 889.755332016645, 10.119408
889.765359164319, 0 916.284245562692, 0 916.294724492714, 11.245347 916.305203602499, 33.104008
916.31568289205, 47.846785 916.326162361372, 43.523598 916.336642010468, 23.274058
916.347121839343, 2.862548 916.357601848, 0 919.467604936064, 0 919.478138522704, 12.831944
919.488672290357, 19.248968 919.499206239028, 22.208671 919.509740368721, 19.704327
919.52027467944, 13.445345 919.530809171189, 0 927.482954974566, 0 927.493626599622, 4.222364
927.504298408861, 32.849044 927.514970402288, 86.58163 927.525642579906, 134.046865
927.53631494172, 134.943438 927.546987487735, 85.137486 927.557660217953, 22.506845
927.56833313238, 0 928.497582319861, 0 928.508271461261, 12.251871 928.518960787247, 32.023829
928.529650297825, 52.298045 928.540339992996, 53.599888 928.551029872768, 30.340743
928.561719937142, 0 945.355890599451, 0 945.366872176689, 17.942239 945.377853945277, 75.557488
945.38883590522, 19.50136 945.399818056522, 30.334207 945.410800399188, 26.08459
945.421782933221, 77.695554 945.432765658627, 0.317561 945.44374857541, 66.669351
945.454731683574, 24.761654 945.465714983124, 68.17497 945.476698474064, 22.096062
945.487682156399, 21.094424 945.498666030133, 53.18802 945.509650095271, 1310.86092
945.520634351816, 4541.80603 945.531618799774, 8395.170593 945.542603439149, 10000
945.553588269946, 7960.636902 945.564573292168, 3991.365814 945.57555850582, 951.151848
945.586543910907, 60.724062 945.597529507433, 26.535299 945.608515295403, 11.906559
945.619501274821, 0 946.487999004416, 0 946.499000314102, 13.767514 946.510001815596, 321.980286
946.521003508904, 1437.396622 946.532005394029, 2995.359421 946.543007470977, 3926.442719
946.554009739751, 3450.624847 946.565012200356, 1965.429688 946.576014852797, 596.838331
946.587017697078, 28.416529 946.598020733203, 25.347501 946.609023961177, 0
947.489904184861, 0 947.500922967422, 8.326489 947.511941942198, 27.422839
947.522961109193, 134.671617 947.533980468413, 291.57865 947.545000019861, 393.815494
947.556019763542, 355.460262 947.567039699461, 203.35741 947.578059827622, 56.097454
947.589080148028, 2.933539 947.600100660686, 0 965.097008516665, 0 965.108335864717, 14.84164
965.119663412193, 21.116339 965.1309911591, 22.642004 965.142319105441, 20.754021
965.153647251222, 16.420084 965.164975596447, 0 993.577274596363, 0 993.589107037951, 13.246837
993.600939690909, 20.538659 993.612772555241, 22.903931 993.624605630953, 22.927079
993.636438918049, 18.433757 993.648272416534, 0 1010.691825127784, 0 1010.703964607849, 16.532898
1010.716104306627, 24.786156 1010.728244224124, 26.305756 1010.740384360346, 19.752163
1010.752524715298, 8.062745 1010.764665288984, 0 1028.950371430833, 0 1028.962841350769, 16.287142
1028.975311497392, 25.227836 1028.987781870708, 28.871396 1029.000252470723, 25.595817
1029.012723297442, 16.373697 1029.025194350871, 0 1062.664707736697, 0
1062.677795533074, 17.685434 1062.690883571238, 38.523459 1062.703971851194, 58.960485
1062.717060372949, 66.150934 1062.730149136508, 52.46141 1062.743238141877, 24.978107
1062.756327389063, 1.078445 1062.76941687807, 0 1107.527339865787, 0 1107.541265147385, 12.037218
1107.555190691616, 21.963753 1107.569116498486, 33.551517 1107.583042568002, 43.812972
1107.59696890017, 42.963776 1107.610895494997, 29.203278 1107.62482235249, 12.359992
1107.638749472656, 0 1109.004882541145, 0 1109.0188356986, 18.212394 1109.032789119389, 24.099623
1109.046742803518, 25.451317 1109.060696750994, 19.874164 1109.074650961824, 9.689169
1109.088605436015, 0 1109.563214305264, 0 1109.577178001245, 14.56663 1109.591141960826, 33.234394
1109.605106184012, 36.913896 1109.61907067081, 21.299157 1109.633035421228, 1.172282
1109.647000435271, 0 1110.569274571184, 0 1110.583257263273, 13.589592
1110.597240219439, 23.188312 1110.611223439689, 27.027673 1110.62520692403, 21.808533
1110.639190672468, 10.435282 1110.653174685011, 0 1180.732389433185, 0
1180.747717937269, 9.527199 1180.763046739853, 20.068941 1180.778375840944, 24.502949
1180.793705240549, 23.351975 1180.809034938678, 19.316967 1180.824364935337, 13.481666
1180.839695230534, 0 1189.16186757347, 0 1189.177360520981, 14.326772 1189.192853771268, 18.721752
1189.208347324341, 20.989043 1189.223841180205, 18.87289 1189.23933533887, 10.224162
1189.254829800344, 0 1245.515003362288, 0 1245.531610555066, 12.145077
1245.548218079998, 19.571872 1245.564825937092, 22.069666 1245.581434126358, 20.036632
1245.598042647803, 16.883607 1245.614651501438, 0 1247.144088329173, 0
1247.160728115156, 2.724195 1247.177368234162, 23.648584 1247.194008686199, 52.447379
1247.210649471278, 73.641908 1247.227290589406, 72.884417 1247.243932040593, 49.787018
1247.260573824848, 18.801294 1247.277215942179, 0.205448 1247.293858392595, 0
1267.882569712902, 0 1267.899626271297, 15.886073 1267.916683173883, 20.421709
1267.933740420669, 21.716519 1267.950798011665, 18.947445 1267.967855946879, 13.370921
1267.984914226321, 0 1279.336201259869, 0 1279.353489465965, 10.182095
1279.370778022499, 20.492153 1279.38806692948, 27.675837 1279.405356186918, 27.958259
1279.422645794822, 22.356939 1279.439935753201, 14.737746 1279.457226062066, 0
1354.686885015113, 0 1354.705722874081, 13.490397 1354.724561125983, 18.640144
1354.743399770831, 22.245827 1354.762238808634, 23.955908 1354.781078239405, 21.583883
1354.799918063154, 14.234895 1354.818758279892, 0 1381.624340882398, 0
1381.643743405334, 17.911741 1381.663146336987, 20.701014 1381.682549677367, 20.46266
1381.701953426488, 18.937996 1381.721357584359, 14.775269 1381.740762150993, 0
1637.211688295566, 0 1637.236716594349, 14.435105 1637.261745467056, 22.489439
1637.286774913705, 24.600424 1637.311804934312, 20.297772 1637.336835528896, 12.181901
1637.361866697474, 0 1732.207305657026, 0 1732.234543591891, 11.815926
1732.261782169215, 21.92864 1732.289021389017, 28.50436 1732.316261251319, 25.511187
1732.34350175614, 13.724686 1732.3707429035, 0 1795.875941096039, 0 1795.904694487487, 2.437896
1795.933448569491, 43.724948 1795.962203342073, 116.580939 1795.990958805254, 170.022726
1796.019714959056, 160.718584 1796.048471803503, 95.557123 1796.077229338616, 23.113135
1796.105987564417, 3.066657 1796.134746480929, 0 1879.420827333735, 0 1879.451610330135, 10.404816
1879.482394082835, 20.828152 1879.513178591861, 24.335311 1879.543963857238, 20.909902
1879.57474987899, 15.710703 1879.605536657142, 0 1919.419123313502, 0 1919.45089422599, 15.075724
1919.482665927314, 36.359107 1919.5144384175, 42.643577 1919.546211696573, 31.836563
1919.577985764562, 17.397508 1919.60976062149, 0 1932.607928418755, 0 1932.640027354853, 15.258063
1932.672127090664, 21.761316 1932.704227626216, 24.728142 1932.736328961535, 22.442511
1932.768431096647, 16.976742 1932.80053403158, 0 1969.858651815859, 0 1969.891683271574, 11.829881
1969.924715558129, 19.223268 1969.957748675552, 27.268165 1969.990782623871, 30.880544
1970.023817403114, 26.215732 1970.056853013309, 12.210169 1970.089889454483, 0
1970.321167812466, 0 1970.354210902479, 15.800472 1970.387254823723, 20.772409
1970.420299576225, 40.888298 1970.453345160012, 81.268585 1970.486391575114, 102.86777
1970.519438821558, 85.145587 1970.552486899371, 46.622145 1970.585535808582, 17.900012
1970.618585549219, 0 
##END=$$ End of the data block
