##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=30663534.000000
##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=335
##FIRSTX=111.32746887
##LASTX=455.13250732
##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)
111.327472106179, 0 111.327974468848, 0.814285 111.328476834917, 1.216582
111.328979204387, 1.410575 111.329481577257, 1.290413 111.329983953527, 0.916699
111.330489830475, 0 113.494133456364, 0 113.494650555689, 1.067408 113.495167658548, 1.444754
113.495684764941, 1.576166 113.496201874868, 1.366543 113.496718988329, 0.92787
113.497237793143, 0 114.457894692973, 0 114.458418392867, 1.114097 114.458942096355, 1.753742
114.459465803438, 2.043006 114.459989514115, 1.798983 114.460513228386, 1.192279
114.461036946252, 0.617114 114.461562740895, 0 115.64165527849, 0 115.642187123773, 0.620604
115.642718972724, 1.233582 115.643250825345, 1.603309 115.643782681635, 1.515303
115.644314541594, 1.054939 115.644857797582, 0 122.346043438792, 0 122.346622199172, 1.067391
122.347200963658, 1.534869 122.347779732251, 1.668617 122.348358504951, 1.374604
122.348937281759, 0.822685 122.3495166991, 0 122.709734382971, 0 122.71031572594, 0.662929
122.710897073042, 1.232606 122.711478424274, 1.620445 122.712059779638, 1.576193
122.712641139133, 1.157378 122.713223010286, 0 123.000339148184, 0 123.000922557508, 0.833645
123.001505970983, 1.326024 123.002089388609, 1.492136 123.002672810386, 1.193057
123.003256236314, 0.623722 123.003841539835, 0 124.287433453206, 0 124.288026043783, 1.042053
124.288618638597, 1.51016 124.289211237649, 1.665851 124.28980384094, 1.405051
124.290396448469, 0.887927 124.290990280182, 0 124.986065093919, 0 124.986662688028, 0.767463
124.987260286423, 1.231598 124.987857889104, 1.559919 124.988455496071, 1.557873
124.989053107324, 1.21324 124.989650722863, 0.693651 124.990259657195, 0
131.713781211278, 0 131.714427699737, 0.849117 131.715074192956, 1.241663
131.715720690934, 1.449128 131.716367193673, 1.349058 131.717013701171, 0.986164
131.717672121436, 0 138.826040861793, 0 138.826740414424, 0.840928 138.827439972342, 1.370116
138.828139535548, 1.589285 138.828839104041, 1.417563 138.829538677822, 1.019441
138.830241713365, 0 140.814283558685, 0 140.814998193321, 0.856928 140.815712833396, 1.334935
140.816427478912, 1.510603 140.817142129867, 1.231793 140.817856786264, 0.681189
140.818560482243, 0 152.488754582378, 0 152.489559906873, 0.760446 152.490365237748, 1.289092
152.491170575002, 1.528057 152.491975918636, 1.306183 152.492781268651, 0.789316
152.493587404198, 0 152.996567275679, 0 152.997376626321, 0.732131 152.998185983384, 1.228725
152.99899534687, 1.561571 152.999804716779, 1.498775 153.00061409311, 1.077373
153.001424165085, 0 153.445933899925, 0 153.446746818906, 1.02892 153.447559744347, 1.579921
153.448372676249, 1.946697 153.44918561461, 1.917351 153.449998559431, 1.490651
153.450811510713, 0.903673 153.451616291589, 0 158.772817400353, 0 158.77367301558, 0.68016
158.774528637722, 1.304426 158.775384266781, 1.680183 158.776239902757, 1.539846
158.777095545649, 1.027569 158.777951309064, 0 158.852419327611, 0 158.853275586372, 0.779886
158.854131852057, 1.240895 158.854988124664, 1.431483 158.855844404195, 1.244616
158.85670069065, 0.817439 158.857561854001, 0 162.256708653801, 0 162.257592584639, 0.939138
162.258476522701, 1.53823 162.259360467986, 1.706517 162.260244420494, 1.404825
162.261128380226, 0.903995 162.262000282363, 0 179.837022622857, 0 179.838054037175, 0.728149
179.839085460367, 1.221948 179.840116892431, 1.480965 179.841148333369, 1.345734
179.842179783181, 0.930991 179.843290280725, 0 195.730675884774, 0 195.731847008306, 0.949224
195.733018142349, 1.50148 195.734189286904, 1.758249 195.735360441969, 1.571913
195.736531607546, 1.069083 195.737656490965, 0 212.719919030296, 0 212.721245895749, 1.157727
212.722572773616, 1.634621 212.723899663899, 1.717921 212.725226566596, 1.341815
212.726553481709, 0.74599 212.727880804584, 0 213.052022597349, 0 213.05335257132, 1.400767
213.054682557745, 3.220676 213.056012556624, 4.617856 213.057342567956, 3.673976
213.058672591743, 2.131453 213.060002627984, 0.627544 213.061271559406, 0
226.458125094744, 0 226.459582555196, 1.061911 226.461040029719, 1.439073
226.462497518312, 1.554036 226.463955020975, 1.333908 226.465412537709, 0.89423
226.466631400024, 0 263.648875401101, 0 263.650706258807, 1.241847 263.652537135584, 1.672542
263.654368031432, 1.760659 263.656198946353, 1.439709 263.658029880345, 0.919608
263.658773755585, 0 270.043486927337, 0 270.04538480803, 0.080954 270.04728270873, 2.944804
270.049180629438, 7.835248 270.051078570155, 13.109101 270.052976530879, 14.206854
270.054874511613, 9.702303 270.056772512355, 5.209872 270.058670533107, 2.060394
270.060568573869, 1.055816 270.062881689663, 0 284.058809646942, 0 284.060857174221, 1.034995
284.062904723638, 4.720108 284.064952295193, 10.888679 284.066999888888, 17.530721
284.069047504721, 18.986213 284.071095142694, 12.972251 284.073142802807, 6.892093
284.07519048506, 2.323509 284.077238189454, 0.71544 284.07985660501, 0
284.793812044359, 0 284.795867513149, 2.636005 284.7979230086, 0.995567
284.799978521095, 0 285.065326881299, 0 285.06704960317, 168.680847 285.069108038819, 885.164547
285.071166496763, 3448.891449 285.073224977003, 6750.87738 285.075283479539, 10000
285.077342004372, 9220.08667 285.079400551502, 5804.909134 285.081459120929, 2666.839409
285.083517712653, 908.646774 285.085576326676, 415.970659 285.087634962996, 280.937433
285.089693621615, 107.418203 285.091752302533, 4.334516 285.09381100575, 3.540324
285.095869731267, 0 285.285703496816, 0 285.287764294871, 2.644524 285.289825117978, 1.51876
285.291885963414, 0 286.067899367314, 0 286.069968654237, 0.422751 286.072037963613, 3.856675
286.074107295442, 17.121215 286.076176649723, 36.141917 286.078246026458, 56.289119
286.080315425647, 56.175643 286.08238484729, 36.593112 286.084454291387, 18.145271
286.086523757939, 6.063584 286.088593246946, 2.448633 286.090662758409, 1.44317
286.092732292327, 0.388048 286.09514480754, 0 295.486312611632, 0 295.488484924143, 1.190042
295.490657260609, 1.69613 295.492829621031, 1.924904 295.495002005408, 1.704264
295.497174413742, 1.170159 295.499341483885, 0 301.688607169845, 0 301.690848235776, 0.976129
301.693089326678, 1.460843 301.695330442552, 1.759512 301.697571583398, 1.650061
301.699812749216, 1.162041 301.701916846298, 0 328.812963282444, 0 328.815513281176, 0.804234
328.818063309572, 1.434293 328.820613367632, 1.741514 328.823163455357, 1.585035
328.825713572746, 1.128502 328.828133109843, 0 339.412804910577, 0 339.415479204615, 0.833638
339.418153530259, 1.633079 339.420827887512, 2.599666 339.423502276372, 2.064046
339.42617669684, 0.959025 339.428833062808, 0 351.028228522256, 0 351.031041264368, 0.899491
351.033854040287, 1.39146 351.036666850013, 1.633608 351.039479693549, 1.396764
351.042292570893, 0.800385 351.044952570113, 0 367.048897147934, 0 367.051904629708, 1.03078
367.054912148447, 1.440602 367.057919704149, 1.596557 367.060927296816, 1.367522
367.063934926449, 0.845311 367.066930181369, 0 373.561230590604, 0 373.564318466454, 0.385281
373.56740638059, 1.360221 373.570494333014, 1.895979 373.573582323727, 1.418739
373.576670352728, 0.735589 373.579725655217, 0 397.090870238669, 0 397.094254407521, 0.883968
397.097638619634, 1.345731 397.10102287501, 1.602479 397.10440717365, 1.556311
397.107791515554, 1.270976 397.111171079556, 0 399.661696703121, 0 399.665113789587, 0.918492
399.668530919878, 1.483596 399.671948093993, 1.87097 399.675365311933, 1.792085
399.678782573699, 1.283035 399.682175239873, 0 412.801277368528, 0 412.804864346877, 1.005969
412.80845137198, 1.535374 412.812038443836, 1.773476 412.815625562447, 1.568068
412.819212727813, 1.045426 412.822779672843, 0 430.080107100844, 0 430.083921632815, 1.157071
430.087736215535, 1.72746 430.091550849005, 1.958625 430.095365533225, 1.804024
430.099180268197, 1.467015 430.102995053921, 1.159679 430.106808049988, 0
431.073594893244, 0 431.077422650255, 0.466403 431.081250458249, 1.83134
431.085078317227, 3.382246 431.08890622719, 3.984138 431.09273418814, 2.839322
431.096562200077, 1.532359 431.100390263001, 0.481022 431.104206091082, 0
437.725636014303, 0 437.729552713479, 1.124301 437.733469465225, 1.636086
437.73738626954, 1.96401 437.741303126427, 2.003613 437.745220035885, 1.765796
437.749136997916, 1.354322 437.753054012522, 0.93264 437.756938977478, 0
455.10758244386, 0 455.111734740642, 0.949098 455.11588709425, 1.399331
455.120039504686, 1.606171 455.124191971951, 1.405317 455.128344496047, 0.900263
455.132497076973, 0 
##END=$$ End of the data block
