##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=115894.414062
##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=695
##FIRSTX=101.02238464
##LASTX=401.03289795
##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)
101.022381832123, 0 101.022816233616, 8.179155 101.02325063791, 39.954293
101.023685045006, 75.013214 101.024119454904, 101.112604 101.024553867604, 80.72834
101.024988283106, 46.29226 101.02542270141, 16.744649 101.02605139773, 0
105.381553891119, 0 105.382016709406, 14.081247 105.382479530742, 21.517733
105.382942355127, 26.24349 105.383405182561, 24.80908 105.383868013044, 17.943323
105.384323887631, 0 108.458894582054, 0 108.459377820404, 11.691147 108.459861061984, 18.739066
108.460344306793, 23.188825 108.460827554832, 22.383429 108.4613108061, 16.688626
108.461789826602, 0 110.307372779261, 0 110.307868423948, 12.371615 110.308364071975, 19.576319
110.308859723343, 22.510228 110.309355378052, 19.843262 110.309851036101, 13.784325
110.310341207112, 0 112.734715406704, 0 112.735227501269, 12.993027 112.735739599324, 21.79054
112.736251700868, 26.583937 112.736763805901, 24.158172 112.737275914424, 16.310596
112.737713530147, 0 113.021446881036, 0 113.021960931055, 1.734487 113.02247498458, 18.377911
113.022989041613, 71.095556 113.023503102153, 140.240312 113.0240171662, 206.768465
113.024531233754, 188.18965 113.025045304815, 116.9523 113.025559379384, 52.846634
113.02607345746, 16.161567 113.026647738483, 0 118.998746962536, 0 118.999302325964, 12.763518
118.99985769328, 18.869802 119.000413064484, 21.367081 119.000968439575, 19.002357
119.001523818555, 13.294534 119.001988017055, 0 119.031984466503, 0 119.032540063263, 7.654402
119.033095663913, 45.172462 119.033651268454, 122.799945 119.034206876884, 207.291007
119.034762489204, 240.298557 119.035318105415, 167.881119 119.035873725515, 89.140207
119.036429349506, 25.592911 119.036984977387, 4.932466 119.037624323969, 0
122.299735925577, 0 122.30031455697, 17.456198 122.30089319247, 24.278741
122.301471832076, 26.190469 122.302050475789, 22.14931 122.302629123608, 14.752765
122.30327078489, 0 123.040318689169, 0 123.040902583887, 9.884582 123.04148648276, 19.010735
123.04207038579, 21.819389 123.042654292977, 42.92883 123.04323820432, 132.512605
123.043822119819, 335.118079 123.044406039475, 555.883074 123.044989963288, 659.786129
123.045573891257, 472.360039 123.046157823383, 255.167317 123.046741759665, 69.601268
123.047325700105, 12.670524 123.047840399703, 0 125.021655734084, 0 125.022253789735, 7.138457
125.022851849677, 27.490392 125.023449913911, 50.609988 125.024047982436, 66.242075
125.024646055252, 51.204687 125.02524413236, 27.95271 125.025842213759, 7.783111
125.026435746738, 0 127.033541885409, 0 127.034154435136, 13.315849 127.034766989293, 21.593413
127.035379547881, 28.772479 127.0359921109, 24.668103 127.036604678349, 12.547375
127.036821160252, 0 127.037433736562, 3.997017 127.038046317304, 26.601711
127.038658902476, 59.25768 127.039271492079, 93.954575 127.039884086113, 89.395517
127.040496684579, 54.592794 127.041109287475, 23.774503 127.041721894802, 5.669316
127.042728227515, 0 128.08006723085, 0 128.080687365596, 12.250943 128.081307504847, 18.325146
128.081927648602, 22.160475 128.08254779686, 21.033007 128.083167949623, 15.222631
128.083842354901, 0 131.031777475785, 0 131.032419170418, 13.681005 131.033060869766, 50.01325
131.033702573827, 107.8058 131.034344282602, 169.972122 131.034985996091, 175.735438
131.035627714295, 114.084661 131.036269437212, 54.217327 131.036911164843, 12.511083
131.037483419462, 0 134.770726003408, 0 134.771395359367, 14.734018 134.772064720313, 21.732639
134.772734086245, 24.500002 134.773403457165, 20.458512 134.77407283307, 12.260136
134.774759049685, 0 141.049644981841, 0 141.050361655872, 5.499084 141.051078335365, 22.734547
141.05179502032, 29.179618 141.052511710737, 68.880916 141.053228406617, 223.40405
141.053945107959, 617.561054 141.054661814764, 1039.357281 141.055378527031, 1301.163578
141.05609524476, 980.155087 141.056811967952, 560.87513 141.057528696607, 176.487303
141.058245430725, 38.68354 141.058962170305, 6.318887 141.059647742613, 0
143.030333963851, 0 143.031065786784, 12.465429 143.031797615333, 37.07386
143.032529449498, 135.121226 143.033261289281, 323.491001 143.03399313468, 529.702473
143.034724985696, 604.052353 143.035456842329, 421.809196 143.036188704579, 225.604343
143.036920572445, 64.561898 143.037652445929, 13.447346 143.038365419328, 0
147.405695158756, 0 147.406460817494, 12.224062 147.407226482198, 19.243865
147.407992152867, 22.283733 147.408757829502, 19.405384 147.409523512103, 12.461237
147.410287519865, 0 148.147338179907, 0 148.148109624308, 9.514784 148.148881074735, 19.247286
148.149652531187, 25.671265 148.150423993666, 24.573547 148.15119546217, 17.188536
148.152002881794, 0 149.041645832839, 0 149.042424272845, 2.787695 149.04320271895, 24.769598
149.043981171154, 57.317811 149.044759629456, 91.884887 149.045538093857, 86.827254
149.046316564358, 51.199937 149.047095040957, 19.449532 149.047873523655, 1.850569
149.048604034846, 0 155.027908347622, 0 155.028734154894, 17.243414 155.029559968764, 34.40305
155.030385789233, 35.013086 155.0312116163, 73.396498 155.032037449966, 243.998933
155.032863290231, 709.236383 155.033689137094, 1202.731228 155.034514990556, 1531.241703
155.035340850618, 1168.87989 155.036166717278, 675.306988 155.036992590537, 217.722559
155.037818470395, 52.456307 155.038644356852, 7.824082 155.039460844046, 0
157.496417789768, 0 157.497263399398, 11.364467 157.498109015839, 21.852322
157.498954639089, 30.134964 157.49980026915, 30.236873 157.500645906021, 13.945313
157.501460738031, 0 161.039822222962, 0 161.040696529916, 9.416409 161.04157084399, 21.804306
161.042445165184, 76.180053 161.043319493498, 222.902274 161.044193828933, 379.699612
161.045068171488, 481.972551 161.045942521164, 367.402244 161.04681687796, 211.690092
161.047691241877, 68.306923 161.048565612914, 15.022455 161.049461342632, 0
161.669433462785, 0 161.670312901933, 11.801699 161.671192348258, 18.938741
161.672071801758, 21.791804 161.672951262434, 19.348188 161.673830730287, 13.58871
161.674703283348, 0 164.656295677942, 0 164.65719960096, 12.803426 164.658103531422, 19.405408
164.659007469327, 22.563557 164.659911414676, 19.747365 164.660815367469, 12.382866
164.661718429473, 0 165.052019379678, 0 165.052926563298, 16.48882 165.053833754397, 40.662518
165.054740952975, 66.273284 165.055648159033, 62.431568 165.05655537257, 36.092973
165.057462593587, 12.693574 165.058360760838, 0 169.046640302338, 0 169.04758061822, 17.609219
169.048520941947, 43.577993 169.049461273519, 71.684271 169.050401612938, 83.283973
169.051341960202, 60.946554 169.052282315313, 33.739242 169.05322267827, 10.331664
169.054158816328, 0 170.91343071999, 0 170.914386654745, 11.894047 170.91534259752, 20.026495
170.916298548316, 24.621345 170.917254507131, 22.781168 170.918210473966, 15.798311
170.919166109675, 0 171.06265321957, 0 171.063610406523, 14.685731 171.06456760151, 34.480628
171.065524804531, 55.977923 171.066482015586, 56.592852 171.067439234675, 36.008015
171.068396461799, 16.40452 171.069350038664, 0 172.600606789509, 0 172.601576913958, 9.955855
172.602547046586, 19.491701 172.603517187393, 26.020539 172.604487336379, 26.280463
172.605457493545, 21.031661 172.60642765889, 13.871475 172.607385709621, 0
177.943688659208, 0 177.944704177803, 14.090237 177.945719705092, 19.91313
177.946735241074, 22.706585 177.94775078575, 20.193163 177.948766339119, 13.401309
177.950395184286, 0 179.029749867006, 0 179.03077469167, 3.80055 179.031799525133, 28.242362
179.032824367395, 84.359467 179.033849218458, 145.062685 179.034874078321, 180.468428
179.035898946984, 136.456633 179.036923824447, 77.090722 179.03794871071, 17.906585
179.038357819071, 0 179.050657246301, 0 179.051640889922, 173.822713 179.052665908202, 610.945129
179.053690935283, 1405.085659 179.054715971167, 2263.766098 179.055741015853, 2488.290215
179.05676606934, 1697.784996 179.05779113163, 886.769485 179.058816202723, 261.744046
179.059841282618, 75.285143 179.060866371315, 44.446164 179.061891468816, 26.421553
179.062916575119, 3.053856 179.06402742426, 0 191.031675789247, 0 191.032805381979, 16.88908
191.033934984729, 31.831679 191.035064597499, 29.501674 191.036194220288, 20.101577
191.037323853097, 9.200835 191.038336184089, 0 193.0444382561, 0 193.04558574936, 0.566989
193.046733252852, 22.374514 193.047880766575, 65.356916 193.04902829053, 113.101602
193.050175824716, 131.813502 193.051323369135, 91.760373 193.052470923785, 47.948778
193.053618488668, 13.385735 193.054950990074, 0 193.616190890474, 0 193.617343483762, 14.932726
193.618496087341, 20.806934 193.619648701212, 22.283657 193.620801325376, 18.245211
193.621953959832, 11.277524 193.623104217776, 0 195.186277984893, 0 195.187444626629, 10.126079
195.188611278824, 19.392666 195.189777941479, 23.328756 195.190944614593, 18.600741
195.192111298168, 8.986857 195.193275172595, 0 197.039149206681, 0 197.040332499907, 6.032588
197.041515803792, 18.621744 197.042699118337, 45.798263 197.043882443541, 76.686096
197.045065779404, 87.575692 197.046249125927, 59.895933 197.04743248311, 29.939032
197.048615850953, 6.905574 197.049796165551, 0 199.055429494431, 0 199.056630996833, 9.157157
199.057832510114, 25.445935 199.059034034274, 48.181933 199.060235569312, 70.595193
199.061437115229, 65.803427 199.062638672025, 39.42484 199.0638402397, 15.209083
199.06503887871, 0 200.990617073636, 0 200.991836139822, 12.697195 200.993055217098, 21.119003
200.994274305466, 26.101953 200.995493404925, 24.83287 200.996712515476, 18.40654
200.997931637118, 11.006457 200.999149703487, 0 201.692188151221, 0 201.693413605829, 11.199865
201.694639071605, 18.442544 201.69586454855, 22.712728 201.697090036664, 21.527414
201.698315535947, 15.717822 201.699539295687, 0 202.844117607192, 0 202.845353575242, 11.08486
202.846589554589, 19.629329 202.847825545232, 24.801138 202.849061547172, 22.505119
202.850297560409, 14.392343 202.851604718604, 0 207.046374050175, 0 207.047648623529, 18.947048
207.048923208653, 36.480865 207.050197805546, 49.197909 207.051472414208, 40.459365
207.052747034641, 20.6328 207.054021666843, 7.711178 207.05536193681, 0
222.438291243319, 0 222.43971055421, 12.795718 222.441129878685, 20.109764
222.442549216744, 24.947652 222.443968568388, 24.900989 222.445387933617, 19.923908
222.446807312431, 12.770726 222.448412949957, 0 223.054311951242, 0 223.055737160392, 11.94219
223.057162383201, 47.028884 223.058587619671, 104.314899 223.0600128698, 167.127705
223.061438133589, 175.961721 223.062863411039, 115.287948 223.064288702149, 56.049901
223.06571400692, 12.105885 223.066938268791, 0 225.064305198526, 0 225.0657497173, 8.810803
225.067194249981, 22.330011 225.068638796569, 25.509959 225.070083357064, 39.902949
225.071527931466, 139.61035 225.072972519777, 468.070602 225.074417121995, 880.145645
225.075861738121, 1271.268654 225.077306368155, 1141.485691 225.078751012098, 705.136108
225.08019566995, 305.817819 225.08164034171, 85.928917 225.083085027379, 23.483202
225.084529726957, 11.837686 225.08598519997, 0 227.693020441701, 0 227.694490341762, 15.156522
227.695960256057, 22.335224 227.697430184586, 23.85795 227.698900127349, 19.196424
227.700370084347, 11.745262 227.703657539863, 0 243.067629529561, 0 243.067603298672, 55.869764
243.069224561483, 27.431518 243.070845840514, 0 243.078952478745, 0 243.080447326379, 447.998857
243.082068718962, 1697.320938 243.083690127767, 4776.735306 243.085311552795, 8048.535919
243.086932994047, 10000 243.088554451521, 7493.467712 243.090175925219, 4299.53804
243.09179741514, 1437.273216 243.093418921285, 443.53056 243.095040443655, 178.186178
243.096661982248, 89.994299 243.098283537066, 0 243.114626505594, 0 243.116248238795, 46.712792
243.117869988324, 22.851206 243.11949175408, 13.104266 243.121124386416, 0
244.082443819601, 0 244.084075246399, 1.955395 244.085706689553, 27.469796
244.087338149065, 78.770536 244.088969624933, 136.331928 244.090601117158, 156.066573
244.092232625741, 105.783772 244.093864150681, 52.188075 244.095495691979, 12.260683
244.097116077867, 0 257.060007004754, 0 257.061770257737, 11.025771 257.063533528861, 21.338512
257.065296818128, 29.267418 257.067060125538, 29.561636 257.06882345109, 21.676722
257.070586794786, 10.436812 257.072448536152, 0 263.536459455334, 0 263.538289761299, 12.624149
263.540120086331, 19.029447 263.541950430432, 22.069691 263.5437807936, 19.757171
263.545611175838, 13.65159 263.547443086359, 0 267.838370469304, 0 267.840245773999, 12.022515
267.84212109839, 19.181579 267.843996442477, 22.271557 267.845871806259, 19.20746
267.847747189738, 12.27536 267.849624932214, 0 274.507025784673, 0 274.508971560797, 18.445565
274.51091735761, 24.944557 274.512863175112, 25.380233 274.514809013302, 19.774033
274.516754872181, 12.160602 274.518698854806, 0 281.401612064588, 0 281.403631605145, 13.903436
281.405651167442, 20.949842 281.407670751481, 23.303673 281.40969035726, 18.948235
281.411709984782, 10.768962 281.413615708219, 0 285.086591367917, 0 285.088650708464, 8.461002
285.090710071325, 56.557947 285.0927694565, 212.337685 285.094828863989, 407.43885
285.096888293793, 595.735741 285.098947745912, 537.631035 285.101007220346, 332.325196
285.103066717097, 145.13638 285.105126236163, 41.173229 285.107185777545, 13.740146
285.109363333035, 0 293.521095082799, 0 293.52324648559, 15.187123 293.525397912034, 22.783974
293.527549362133, 24.357706 293.529700835885, 19.114156 293.531852333292, 11.13753
293.5340004707, 0 297.206345203007, 0 297.208537250136, 11.322655 297.210729321517, 18.897296
297.212921417149, 23.592603 297.215113537034, 21.512274 297.217305681171, 14.013174
297.21949953003, 0 302.459127432377, 0 302.461377848504, 15.422305 302.463628289748, 22.65048
302.465878756108, 25.759104 302.468129247585, 22.114129 302.470379764179, 13.305655
302.472631505711, 0 306.209057624411, 0 306.211350021514, 12.335988 306.21364244436, 20.273025
306.215934892949, 23.242517 306.218227367281, 20.185739 306.220519867357, 13.839243
306.223011146117, 0 315.09540698359, 0 315.097799889016, 5.849907 315.100192821701, 25.743115
315.102585781645, 87.060899 315.104978768848, 162.10078 315.107371783311, 228.28083
315.109764825034, 193.421268 315.112157894018, 114.961028 315.114550990263, 42.953885
315.116944113769, 10.437199 315.11989921282, 0 317.077004326493, 0 317.079419834052, 14.916214
317.081835369213, 46.165967 317.084250931977, 87.75627 317.086666522344, 128.25917
317.089082140314, 116.281164 317.091497785889, 69.787389 317.093913459068, 27.302241
317.096329159852, 3.915616 317.09798476788, 0 324.009260962687, 0 324.011756126164, 15.906888
324.014251318464, 23.479237 324.016746539586, 27.282643 324.019241789533, 24.952546
324.021737068303, 17.653093 324.024233917651, 0 329.078233119197, 0 329.08078706467, 16.399696
329.083341039874, 34.712481 329.08589504481, 47.283748 329.088449079479, 36.629266
329.09100314388, 18.366589 329.093558464232, 0 333.10924081154, 0 333.111841826913, 17.059961
333.114442872751, 21.675389 333.117043949054, 35.385659 333.119645055822, 29.240695
333.122246193056, 21.130331 333.124847360756, 11.963715 333.127445633777, 0
341.523538508021, 0 341.526238695363, 11.687578 341.528938914728, 20.867018
341.531639166116, 27.751884 341.534339449528, 28.466043 341.537039764964, 15.289091
341.539649142455, 0 345.104795659432, 0 345.107538430824, 13.345137 345.110281234914, 57.670385
345.113024071703, 160.034657 345.11576694119, 271.02468 345.118509843377, 341.18216
345.121252778265, 262.108922 345.123995745853, 153.089452 345.126738746142, 52.944964
345.129481779132, 13.201991 345.132317428531, 0 347.124145924833, 0 347.126912803967, 8.363047
347.129679716183, 30.688316 347.132446661481, 55.683661 347.135213639862, 62.638104
347.137980651326, 40.219367 347.140747695875, 18.191345 347.143516463567, 0
352.991301298995, 0 352.994138623276, 14.585529 352.996975981766, 23.06039
352.999813374467, 28.632328 353.002650801378, 27.573794 353.0054882625, 20.531806
353.008325757835, 11.724804 353.011163556824, 0 353.926630305161, 0 353.929478914111, 10.816336
353.932327557451, 19.46993 353.935176235184, 24.83346 353.938024947308, 23.490775
353.940873693825, 16.389637 353.943724513787, 0 361.001466932255, 0 361.004401380429, 10.483766
361.007335864383, 32.144296 361.010270384117, 59.580141 361.013204939632, 83.855844
361.016139530928, 71.489984 361.019074158007, 40.182579 361.022008820868, 11.985812
361.024943548281, 0 361.101258274846, 0 361.104193939857, 11.360915 361.107129640667, 34.496742
361.110065377277, 63.684523 361.113001149689, 89.72891 361.115936957901, 77.420282
361.118872801915, 46.039665 361.121808681732, 18.211599 361.124740857749, 0
369.105310504276, 0 369.108344314907, 14.226498 369.111378162942, 26.281264
369.114412048382, 43.533254 369.117445971228, 44.601464 369.120479931479, 28.030956
369.123513929137, 14.141515 369.126548476059, 0 370.990418388498, 0 370.993475470398, 11.401804
370.996532590085, 19.281197 370.99958974756, 22.832695 371.002646942823, 20.460175
371.005704175875, 14.462686 371.008974623791, 0 373.084369292457, 0 373.087452290509, 10.571933
373.090535326775, 23.710448 373.093618401256, 57.529211 373.096701513954, 77.484572
373.099784664869, 111.064267 373.102867854001, 321.137905 373.105951081351, 1037.982559
373.109034346919, 1985.613441 373.112117650707, 2923.399925 373.115200992715, 2705.953407
373.118284372944, 1688.901711 373.121367791394, 751.685047 373.124451248065, 200.68233
373.127534742959, 53.718704 373.130618276077, 40.865153 373.133701847417, 18.954943
373.136603621081, 0 374.100559459125, 0 374.103655064032, 1.792624 374.106750707362, 23.828845
374.109846389117, 94.343477 374.112942109296, 185.900402 374.1160378679, 276.208282
374.119133664931, 253.312445 374.122229500388, 156.601214 374.125325374272, 68.607134
374.128421286584, 17.426924 374.131490891708, 0 389.374545076902, 0 389.377832188297, 13.814843
389.381119341317, 22.037943 389.384406535962, 26.460305 389.387693772234, 23.932248
389.390981050133, 15.907125 389.394264815821, 0 401.012278058836, 0 401.015713635431, 13.626006
401.019149256177, 20.648944 401.022584921075, 23.135844 401.026020630124, 19.647911
401.029456383325, 12.813514 401.032892180681, 0 
##END=$$ End of the data block
