##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=44792.289063
##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=349
##FIRSTX=100.08454132
##LASTX=391.17694092
##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)
100.084544064225, 0 100.084972281097, 25.536132 100.085400500717, 38.995984
100.085828723085, 44.530559 100.086256948201, 38.562062 100.086685176066, 24.84787
100.087124068256, 0 104.2117831966, 0 104.212238172631, 16.237158 104.212693151641, 35.44589
104.213148133631, 54.081249 104.213603118601, 60.235196 104.21405810655, 50.286078
104.214513097479, 31.765947 104.214971294992, 0 105.472470598344, 0 105.472933855315, 24.478969
105.473397115338, 37.537763 105.473860378413, 46.09389 105.47432364454, 45.591751
105.474786913719, 35.847032 105.475250185951, 21.16119 105.475722709239, 0
109.062419630768, 0 109.062906739594, 15.341519 109.063393851683, 39.817283
109.063880967036, 76.918638 109.064368085652, 106.282008 109.064855207531, 87.337273
109.065342332674, 47.27321 109.065829461081, 12.52398 109.066318232373, 0
109.694006647602, 0 109.694497993866, 22.390528 109.694989343432, 35.295925
109.695480696299, 46.850708 109.695972052468, 47.720021 109.696463411938, 35.830012
109.696954774709, 17.612943 109.697446368636, 0 109.782010477708, 0 109.782502415378, 27.783963
109.782994356354, 42.817515 109.783486300637, 49.510533 109.783978248227, 43.524688
109.784470199123, 28.553018 109.784976205965, 0 115.22697799349, 0 115.227506980002, 33.800018
115.228035970157, 46.775159 115.228564963954, 52.794313 115.229093961394, 50.105441
115.229622962477, 40.393806 115.230151967203, 27.975112 115.230683751903, 0
116.296571237577, 0 116.29710760663, 29.502928 116.297643979394, 42.965376
116.298180355869, 45.223019 116.298716736054, 36.201426 116.29925311995, 22.150774
116.299799978824, 0 120.367399377682, 0 120.367964154269, 23.711489 120.368528934832, 37.083825
120.36909371937, 45.174113 120.369658507883, 43.160367 120.370223300371, 31.849909
120.370826117962, 0 135.110876422292, 0 135.111548081408, 26.948157 135.112219745533, 42.77578
135.112891414666, 46.880487 135.113563088807, 37.126392 135.114234767957, 20.991682
135.114928383161, 0 149.593790033633, 0 149.594572532889, 32.965276 149.595355038285, 47.622952
149.596137549821, 52.256656 149.596920067496, 44.205812 149.597702591312, 29.149091
149.598488802436, 0 151.071837406975, 0 151.072631531959, 21.013112 151.073425663204, 37.232789
151.074219800711, 51.756656 151.075013944479, 56.67097 151.075808094509, 48.871839
151.076602250802, 32.444248 151.077412909785, 0 161.056148963397, 0 161.057023100668, 13.67384
161.057897245055, 43.193218 161.058771396559, 74.334276 161.05964555518, 67.096275
161.060519720917, 45.350161 161.061393893772, 23.961176 161.062269305854, 0
161.561712481665, 0 161.562590738111, 24.275194 161.563469001718, 37.86301
161.564347272487, 45.989087 161.565225550418, 43.351346 161.56610383551, 31.814879
161.566981135556, 0 164.666466448154, 0 164.667370142305, 32.799572 164.668273843895, 44.556391
164.669177552924, 48.716855 164.670081269393, 42.169717 164.670984993301, 28.273857
164.671906384272, 0 172.069770605946, 0 172.070735924434, 29.365748 172.071701251046, 41.545677
172.072666585781, 46.353528 172.073631928639, 40.869781 172.074597279621, 28.407958
172.07524613719, 0 179.064826657037, 0 179.065851436531, 16.675317 179.066876224823, 114.078772
179.067901021911, 286.529875 179.068925827798, 473.437357 179.069950642481, 523.060608
179.070975465962, 360.008526 179.072000298241, 191.525102 179.073025139318, 65.655535
179.074049989192, 23.771274 179.075407005574, 0 186.800220192286, 0 186.801312084981, 31.340042
186.80240398725, 43.441054 186.803495899092, 46.171433 186.804587820509, 37.324697
186.805679751499, 21.57658 186.806836426607, 0 195.090698574985, 0 195.091863957804, 19.426958
195.093029351066, 37.282634 195.09419475477, 49.696505 195.095360168916, 48.841405
195.096525593505, 36.038163 195.096980202636, 0 197.075671976771, 0 197.076855197212, 56.404728
197.078038428308, 144.291592 197.079221670061, 240.246034 197.080404922469, 244.518209
197.081588185534, 158.343947 197.082771459256, 76.685262 197.083954743634, 23.986164
197.085853952036, 0 197.111889139195, 0 197.113072679368, 16.759261 197.114256230201, 57.086951
197.115439791694, 112.672746 197.116623363847, 164.543116 197.117806946661, 140.947962
197.118990540134, 78.751785 197.120174144268, 22.404246 197.121308451847, 0
209.502334361764, 0 209.503631234535, 29.018727 209.504928119348, 41.632575
209.506225016203, 46.541488 209.5075219251, 39.962226 209.50881884604, 25.531664
209.510117801855, 0 210.450961670197, 0 210.452267361309, 24.993601 210.453573064573, 39.086071
210.454878779987, 46.06019 210.456184507554, 41.800743 210.457490247272, 28.275409
210.458953009622, 0 211.089742768112, 0 211.091054407029, 18.006974 211.092366058171, 53.901052
211.093677721539, 157.427108 211.094989397132, 274.015737 211.096301084951, 346.747828
211.097612784995, 256.628966 211.098924497266, 139.559436 211.100236221762, 35.094321
211.101396611727, 0 213.106798130389, 0 213.108128615571, 18.891266 213.109459113213, 60.736108
213.110789623314, 109.092486 213.112120145876, 127.540636 213.113450680899, 88.66722
213.114781228382, 44.692954 213.116111788325, 9.344638 213.117444499687, 0
214.109514644701, 0 214.11085453129, 16.337571 214.112194430457, 62.12284
214.113534342201, 121.960878 214.114874266523, 180.455887 214.116214203423, 164.969075
214.117554152901, 100.730944 214.118894114957, 42.226872 214.120234089591, 8.324452
214.121502216799, 0 220.075870506793, 0 220.077266788361, 27.634555 220.078663083217, 46.60674
220.080059391362, 53.523529 220.081455712795, 44.02777 220.082852047518, 26.826394
220.084174742494, 0 228.118654479244, 0 228.120127998598, 28.210363 228.121601532229, 50.648791
228.123075080138, 85.514313 228.124548642324, 71.093065 228.126022218789, 44.530642
228.127495809531, 25.055984 228.128816846655, 0 229.094138375824, 0 229.095621358405, 2.541169
229.097104355386, 81.138068 229.098587366767, 104.740286 229.100070392547, 174.633074
229.101553432728, 912.210178 229.103036487309, 3440.406418 229.10451955629, 6735.626221
229.106002639673, 10000 229.107485737456, 9251.551056 229.10896884964, 5825.763702
229.110451976226, 2672.6408 229.111935117213, 872.630692 229.113418272602, 402.725554
229.114901442392, 326.738834 229.116384626585, 227.848029 229.11786782518, 156.091404
229.119351038177, 41.23354 229.120834265577, 0 247.8412104676, 0 247.842879155994, 28.564101
247.844547861241, 43.394703 247.84621658334, 50.042021 247.847885322293, 43.246973
247.849554078099, 26.235563 247.851228131998, 0 253.239230747392, 0 253.240954248076, 15.844673
253.242677766354, 41.782546 253.244401302227, 75.095284 253.246124855696, 56.760621
253.24784842676, 24.56845 253.249384819171, 0 290.86043205709, 0 290.862553554827, 31.300515
290.864675075775, 46.33145 290.866796619935, 53.572226 290.868918187306, 49.002528
290.871039777889, 35.108399 290.873046319668, 0 307.455827207608, 0 307.458132839656, 28.402427
307.46043849764, 41.805583 307.462744181559, 49.347538 307.465049891415, 45.251864
307.467355627206, 30.409595 307.469536215615, 0 319.065076838707, 0 319.067514285251, 19.841728
319.069951759726, 40.295875 319.072389262132, 54.016477 319.074826792469, 51.988304
319.077264350739, 35.892442 319.079700438821, 0 321.726221173128, 0 321.72868917729, 27.151874
321.731157209851, 43.63586 321.733625270811, 49.692547 321.73609336017, 40.906984
321.73856147793, 23.9528 321.741029397123, 0 322.128880881009, 0 322.131353519911, 27.280638
322.133826187282, 42.531386 322.136298883124, 49.703777 322.138771607436, 43.688893
322.141244360219, 28.089866 322.143574688978, 0 341.112278471976, 0 341.114972874869, 18.73087
341.117667309686, 59.571719 341.120361776428, 105.116546 341.123056275095, 119.286096
341.125750805688, 85.211456 341.128445368207, 46.642777 341.131139962653, 18.738721
341.133822243414, 0 354.117465300206, 0 354.120315252327, 35.437736 354.123165238854, 50.959492
354.126015259786, 55.81103 354.128865315124, 47.441733 354.131715404868, 31.684163
354.134556863499, 0 363.241722739585, 0 363.24468354699, 26.692137 363.247644390597, 70.151901
363.250605270404, 119.113553 363.253566186414, 129.561543 363.256527138625, 87.739313
363.25948812704, 45.169738 363.262449151659, 22.936873 363.265264831777, 0
366.913921742501, 0 366.91692756351, 39.243263 366.919933421455, 55.596244
366.922939316338, 60.211116 366.925945248158, 49.365443 366.928951216916, 29.244208
366.931390497576, 0 373.135243474724, 0 373.138326075106, 38.362503 373.141408713688, 160.871184
373.144491390471, 307.415652 373.147574105455, 441.384077 373.15065685864, 386.803627
373.153739650027, 237.980366 373.156822479617, 102.595425 373.159905347411, 34.895661
373.163535115198, 0 381.778689250247, 0 381.781879571322, 29.632464 381.785069932388, 44.394171
381.788260333443, 50.996751 381.79145077449, 44.96392 381.794641255529, 29.957628
381.796446604313, 0 391.143840684572, 0 391.1471491296, 9.068164 391.150457616603, 104.528677
391.153766145584, 246.312761 391.157074716543, 399.094105 391.160383329479, 404.358292
391.163691984394, 262.295103 391.16700068129, 130.115902 391.170309420165, 41.160777
391.173618201022, 11.902454 391.17692702386, 0 
##END=$$ End of the data block
