##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=160994.265625
##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=570
##FIRSTX=83.93617249
##LASTX=326.15808105
##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)
83.936169786318, 0 83.936498779735, 5.856892 83.936827775085, 9.415572
83.93715677237, 11.475993 83.937485771589, 10.718298 83.937814772743, 7.646902
83.938133495324, 0 88.47366817365, 0 88.474024201989, 5.325561 88.474380232477, 9.292501
88.474736265114, 11.966246 88.4750922999, 11.066317 88.475448336835, 7.085384
88.475798869532, 0 90.896297011333, 0 90.89666776275, 6.130214 90.897038516436, 9.746603
90.89740927239, 10.872783 90.897780030613, 8.970415 90.898150791104, 5.569427
90.898512191336, 0 95.02319972734, 0 95.023596012707, 6.751604 95.023992300553, 10.408122
95.024388590878, 12.641422 95.024784883683, 12.150294 95.025181178966, 9.166941
95.025576671484, 0 95.379665584564, 0 95.380064101934, 8.896212 95.380462621802, 11.433563
95.380861144168, 12.427108 95.381259669032, 10.994949 95.381658196393, 7.601172
95.382012911832, 0 114.64834967419, 0 114.648874862915, 6.187193 114.649400055249, 10.747936
114.649925251191, 12.754801 114.650450450742, 10.423493 114.650975653902, 5.671607
114.651500796119, 0 114.676714965697, 0 114.67724034934, 6.059911 114.677765736595, 10.476842
114.678291127459, 13.240419 114.678816521934, 12.467602 114.67934192002, 8.971406
114.67986428156, 0 116.020780889064, 0 116.021315536351, 8.726285 116.021850187333, 12.45046
116.02238484201, 13.539252 116.022919500383, 11.089178 116.023454162452, 6.697962
116.023981911925, 0 119.047626471029, 0 119.048182176689, 6.535313 119.048737886239, 10.607717
119.04929359968, 22.60118 119.049849317013, 35.092017 119.050405038236, 33.609402
119.050960763351, 20.392914 119.051516492357, 8.277518 119.051856321369, 0
121.026720416721, 0 121.027290038722, 1.487707 121.027859664744, 17.775738
121.028429294788, 41.125783 121.028998928853, 66.465604 121.02956856694, 67.179787
121.030138209048, 42.932174 121.030707855178, 20.560816 121.031277505329, 5.954656
121.032058502119, 0 121.063395676202, 0 121.063965555652, 2.878098 121.064535439125, 11.963957
121.065105326623, 23.568356 121.065675218144, 34.073487 121.06624511369, 29.182136
121.06681501326, 16.609594 121.067384916853, 5.627467 121.067952625851, 0
122.035146926424, 0 122.035723681091, 3.742737 122.036300439847, 13.943705
122.036877202692, 25.33271 122.037453969625, 31.467921 122.038030740648, 22.560833
122.038607515759, 11.600242 122.039184294959, 5.559986 122.039755745117, 0
124.359851264153, 0 124.360444577379, 9.566743 124.36103789485, 13.077743
124.361631216568, 13.627699 124.362224542532, 10.629276 124.362817872742, 5.829038
124.363389421846, 0 133.946529092049, 0 133.947192317201, 6.996654 133.947855547278, 10.635149
133.948518782282, 12.290528 133.949182022211, 10.601668 133.949845267066, 6.425295
133.950506034232, 0 135.042214833012, 0 135.042886212587, 1.127384 135.04355759717, 11.287128
135.044228986759, 22.594909 135.044900381355, 32.85014 135.045571780958, 28.484076
135.046243185568, 17.233673 135.046914595185, 6.792354 135.047494609695, 0
136.049418354529, 0 136.050097259929, 15.779465 136.050776170411, 87.219542
136.051455085974, 259.47504 136.05213400662, 443.10894 136.052812932347, 553.971243
136.053491863156, 416.907692 136.054170799047, 240.101314 136.054849740021, 81.745267
136.055528686076, 28.463441 136.056207637214, 16.749199 136.056886593433, 15.764497
136.057565554735, 11.2746 136.05824452112, 1.994278 136.05901024575, 0
137.053696231569, 0 137.054382667387, 5.888025 137.055069108362, 18.310866
137.055755554494, 32.160348 137.056442005784, 33.510342 137.05712846223, 21.452814
137.057814923834, 10.12717 137.058501390595, 3.496987 137.059174317184, 0
142.988611735784, 0 142.989343238619, 8.30389 142.990074747068, 11.67875
142.99080626113, 13.123725 142.991537780805, 11.788177 142.992269306094, 8.460337
142.992989992066, 0 147.775425515738, 0 147.776194057004, 5.54376 147.776962604265, 9.781399
147.777731157522, 11.75923 147.778499716775, 10.45977 147.779268282024, 6.986269
147.780033829554, 0 149.057947153721, 0 149.058725721765, 8.396516 149.059504295909, 15.799652
149.060282876153, 26.396388 149.061061462497, 27.400821 149.061840054942, 17.173541
149.062618653486, 7.455598 149.063392716013, 0 151.069631578972, 0 151.070425961543, 0.348512
151.07122035038, 18.927751 151.072014745483, 31.252083 151.072809146852, 84.470886
151.073603554487, 369.006991 151.074397968388, 1276.14975 151.075192388555, 2386.991692
151.075986814988, 3420.053864 151.076781247687, 3010.390472 151.077575686652, 1851.85833
151.078370131884, 783.451653 151.079164583382, 245.162582 151.079959041147, 120.837748
151.080753505179, 117.009759 151.081547975476, 78.166795 151.082342452041, 42.892396
151.083136934872, 12.217143 151.083931423971, 0 152.075437114795, 0 152.076239444777, 3.903913
152.077041781107, 25.841516 152.077844123787, 90.919411 152.078646472817, 162.736619
152.079448828197, 216.975546 152.080251189926, 172.01488 152.081053558005, 100.932086
152.081855932434, 36.301807 152.082658313213, 11.510702 152.083460700341, 4.359527
152.084373791724, 0 157.270030592271, 0 157.270874379346, 7.264454 157.271718173212, 10.057443
157.272561973868, 11.891995 157.273405781315, 11.387226 157.274249595553, 8.675357
157.27508532595, 0 160.838934053536, 0 160.839806724866, 7.964215 160.840679403299, 11.622784
160.841552088834, 13.002905 160.842424781471, 10.904683 160.843297481211, 6.555212
160.844035214383, 0 163.034849816562, 0 163.035740421565, 4.174735 163.036631033866, 45.335799
163.037521653464, 188.974881 163.038412280361, 386.017609 163.039302914555, 590.258217
163.040193556047, 570.494318 163.041084204837, 366.291285 163.041974860925, 176.375651
163.042865524312, 58.307612 163.043756194996, 26.735187 163.044646872979, 21.740443
163.045537558261, 15.639953 163.046428250841, 11.606964 163.047318950719, 0
163.543809380506, 0 163.544704158112, 9.961952 163.545598943061, 13.670845
163.546493735353, 13.787811 163.547388534988, 10.468528 163.548283341968, 6.070222
163.549171620239, 0 166.35971482294, 0 166.360632809255, 9.907464 166.361550803168, 11.517433
166.362468804679, 11.69566 166.363386813788, 10.066771 166.364304830496, 7.366329
166.36522132953, 0 167.031870525413, 0 167.032794080864, 6.26554 167.033717643975, 14.779945
167.034641214746, 20.286293 167.035564793176, 14.09052 167.036488379267, 7.546742
167.037413027654, 0 173.042862947314, 0 173.043836802698, 3.331682 173.044810666302, 19.929135
173.045784538128, 67.676806 173.046758418175, 123.699093 173.047732306443, 171.586394
173.048706202933, 143.982708 173.049680107644, 86.011809 173.050654020577, 32.885391
173.051627941731, 8.807547 173.052584731687, 0 174.047343266229, 0 174.048325613606, 7.864238
174.0493079693, 13.48583 174.050290333311, 23.979059 174.051272705638, 25.610209
174.052255086283, 16.352837 174.053237475245, 4.377821 174.054216258527, 0
175.640752581252, 0 175.64174844961, 7.206123 175.642744326437, 10.572471
175.643740211735, 11.891558 175.644736105502, 10.208423 175.645732007739, 6.465527
175.646724750058, 0 177.036249073745, 0 177.037256834183, 9.865283 177.038264603226, 26.04214
177.039272380874, 43.837178 177.040280167127, 49.467826 177.041287961985, 33.68957
177.042295765449, 17.074113 177.043303577517, 4.880574 177.044309104024, 0
178.047305276321, 0 178.048321682083, 3.770657 178.049338096547, 12.615579
178.050354519716, 22.210841 178.051370951588, 24.725994 178.052387392164, 16.931283
178.053403841443, 8.672831 178.054418068647, 0 179.031172875502, 0 179.032197717702, 7.024512
179.033222568703, 15.637572 179.034247428503, 22.785199 179.035272297103, 15.888509
179.036297174504, 10.59871 179.037322060705, 5.215962 179.038272249898, 0
188.065229264205, 0 188.066332649025, 6.060179 188.067436043555, 52.565402
188.068539447795, 213.847494 188.069642861746, 434.795523 188.070746285408, 664.321852
188.071849718781, 641.602612 188.072953161865, 411.567163 188.07405661466, 196.97727
188.075160077166, 64.499086 188.076263549383, 29.894567 188.077367031312, 25.095195
188.078470522952, 16.96022 188.079574024304, 12.188572 188.080677535367, 4.02399
188.081792313126, 0 189.070014441494, 0 189.071126680665, 5.700842 189.07223892965, 25.567165
189.073351188449, 49.943721 189.074463457063, 71.82588 189.075575735492, 62.044394
189.076688023736, 37.003556 189.077800321794, 14.669514 189.078912629668, 3.413881
189.080134523425, 0 190.082971769732, 0 190.084092958246, 7.769281 190.085214156679, 18.195818
190.086335365032, 29.159188 190.087456583306, 27.916136 190.088577811499, 17.053045
190.089699049613, 6.991555 190.090668480776, 0 195.044964376563, 0 195.046129753531, 13.072617
195.047295140944, 67.211282 195.048460538801, 169.247115 195.049625947103, 280.208588
195.05079136585, 320.120215 195.051956795042, 225.932932 195.053122234679, 123.306644
195.054287684762, 41.633043 195.05545314529, 16.810158 195.056618616263, 12.146222
195.057784097682, 9.382347 195.059228859398, 0 203.094075966726, 0 203.095314219391, 7.553349
203.09655248338, 11.083953 203.097790758694, 13.496912 203.099029045333, 13.658997
203.100267343296, 11.467627 203.101505652585, 7.818972 203.102741754598, 0
205.030813975502, 0 205.032069982617, 8.798707 205.033326001274, 20.258518
205.034582031473, 33.051148 205.035838073213, 33.519566 205.037094126495, 20.639883
205.038350191318, 9.410409 205.039666791384, 0 226.061428646122, 0 226.062882775134, 6.183836
226.064336918176, 11.258726 226.065791075249, 13.868938 226.067245246353, 12.510076
226.068699431488, 8.463351 226.07023332349, 0 238.385953331972, 0 238.387527981958, 9.697009
238.389102647547, 12.505397 238.390677328737, 13.210049 238.39225202553, 11.556533
238.393826737926, 8.325498 238.395490244711, 0 255.09647890556, 0 255.098221994538, 9.763727
255.099965101382, 14.871654 255.101708226092, 20.99178 255.103451368669, 14.683892
255.105194529112, 8.916575 255.107037278272, 0 267.061799289451, 0 267.063666444212, 10.635536
267.065533618555, 17.997952 267.067400812479, 20.386375 267.069268025985, 12.464748
267.071135259072, 4.71626 267.073002516167, 0 279.283028489463, 0 279.285025266305, 7.376487
279.287022064562, 11.478093 279.289018884234, 13.859682 279.291015725321, 12.67339
279.293012587824, 8.559097 279.295009661615, 0 279.848972173353, 0 279.85097502273, 8.54826
279.852977893609, 17.629074 279.854980785989, 25.799569 279.856983699871, 21.831103
279.858986635255, 11.467311 279.860989592142, 8.113652 279.862992907933, 0
280.853085880152, 0 280.855099518712, 5.351589 280.857113178927, 10.910857
280.859126860799, 19.569021 280.861140564327, 24.555793 280.863154289513, 18.304048
280.865168036355, 9.283962 280.867182216965, 0 282.083413129919, 0 282.085440014635, 9.541085
282.087466921198, 17.604159 282.089493849607, 22.819731 282.091520799862, 16.742724
282.093547771965, 10.984182 282.095574765915, 5.387735 282.097601553459, 0
295.074058609556, 0 295.076227109039, 5.33115 295.078395632427, 20.214859
295.08056417972, 36.29618 295.082732750918, 43.657121 295.084901346022, 32.249436
295.087069965032, 18.0839 295.089238607948, 7.175718 295.091408164642, 0
297.854034355478, 0 297.85623357214, 5.390427 297.85843281316, 14.174958
297.860632078537, 30.242261 297.862831368272, 47.458974 297.865030682366, 46.872661
297.867230020817, 29.256546 297.869429383628, 12.703855 297.871628770798, 3.123994
297.87382827244, 0 298.137934612997, 0 298.140136974696, 8.340317 298.142339360799, 20.479257
298.144541771305, 33.275846 298.146744206216, 32.534564 298.148946665532, 20.459665
298.151149149252, 9.193444 298.153351907759, 0 298.921309333394, 0 298.923520381056, 8.448514
298.92573145325, 11.438081 298.927942549976, 12.933181 298.930153671234, 11.821382
298.932364817026, 8.619261 298.934578930927, 0 308.120622214609, 0 308.122936111328, 8.036032
308.125250034113, 16.617157 308.127563982963, 25.018102 308.129877957879, 24.096066
308.132191958861, 14.802697 308.13450598591, 8.427431 308.136449015799, 0
310.096508445243, 0 310.098844639342, 7.350223 310.101180859842, 38.916188
310.103517106743, 120.724487 310.105853380046, 207.141352 310.10818967975, 260.878229
310.110526005857, 195.924687 310.112862358366, 111.702478 310.115198737278, 36.654869
310.117535142593, 10.293517 310.12015216463, 0 311.103792800212, 0 311.106140383347, 10.837566
311.108487993055, 32.752332 311.110835629335, 56.965947 311.113183292188, 75.811416
311.115530981614, 65.117574 311.117878697615, 40.409073 311.12022644019, 17.522292
311.12257420934, 3.410792 311.125013716264, 0 312.115801444852, 0 312.118160491172, 5.720441
312.120519564238, 11.319896 312.122878664049, 15.39083 312.125237790607, 15.04765
312.127596943911, 10.493639 312.129954239781, 0 322.118745616627, 0 322.121218974021, 7.377712
322.123692359903, 11.312051 322.126165774272, 13.481618 322.12863921713, 13.163956
322.131112688476, 4.228254 322.133586477457, 0 323.068129788063, 0 323.070614088158, 5.113992
323.073098416909, 16.562784 323.075582774316, 29.332146 323.078067160379, 35.144496
323.080551575099, 25.015837 323.083036018476, 13.376163 323.085520490511, 4.386414
323.087424404456, 0 323.104816711768, 0 323.107301441741, 2.309771 323.109786200377, 16.968864
323.112270987674, 35.723963 323.114755803635, 54.008162 323.117240648259, 47.748223
323.119725521547, 27.915549 323.122210423499, 10.640006 323.125637543304, 0
324.074486169591, 0 324.076982082449, 6.245598 324.079478024141, 24.328941
324.081973994667, 80.530733 324.084469994028, 153.242218 324.086966022225, 222.204828
324.089462079258, 199.179399 324.091958165127, 121.49992 324.094454279833, 49.283782
324.096950423376, 7.396162 324.099677572137, 0 324.109662550047, 0 324.112158866623, 2.082735
324.11465521204, 23.616253 324.117151586297, 66.577691 324.119647989396, 117.78841
324.122144421336, 169.581044 324.124640882119, 162.75444 324.127137371744, 104.914641
324.129633890212, 50.512642 324.132130437524, 12.079802 324.13462701368, 0
325.109758055662, 0 325.112265943935, 1.555615 325.114773861227, 35.230231
325.117281807538, 111.961627 325.119789782869, 189.188039 325.122297787221, 741.51268
325.124805820592, 2767.429161 325.127313882985, 6017.932129 325.129821974399, 9528.935242
325.132330094835, 10000 325.134838244293, 6661.975098 325.137346422775, 3396.115875
325.139854630279, 1048.146248 325.142362866807, 403.538799 325.144871132359, 334.905219
325.147379426936, 253.601909 325.149887750538, 117.292881 325.152396103166, 54.085803
325.154904484819, 0.770262 325.157558249927, 0 326.117763626002, 0 326.120283186803, 9.109309
326.122802776802, 25.814015 326.125322396001, 123.403156 326.1278420444, 468.398619
326.130361721999, 1128.298855 326.132881428799, 1843.908501 326.135401164801, 2109.689713
326.137920930004, 1494.240379 326.140440724409, 817.956161 326.142960548016, 261.75127
326.145480400827, 84.262925 326.148000282841, 49.647522 326.15052019406, 37.620017
326.153040134482, 13.020888 326.15556010411, 4.782901 326.158080102943, 0
##END=$$ End of the data block
