##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=2031887.375000
##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=736
##FIRSTX=106.75746918
##LASTX=434.22958374
##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)
106.75746895429, 0 106.757940703248, 0.578142 106.758412455332, 1.04862
106.758884210544, 1.366805 106.759355968882, 1.330869 106.759827730347, 0.980741
106.76029949494, 0.53815 106.760800859771, 0 118.22528630963, 0 118.22583607727, 0.715262
118.226385848745, 1.016361 118.226935624054, 1.232082 118.227485403199, 1.247118
118.228035186178, 1.02366 118.228584972992, 0.656517 118.229137630165, 0
119.365995415674, 0 119.366553159221, 0.53846 119.367110906677, 0.928351
119.367668658042, 1.168504 119.368226413317, 1.099349 119.368784172501, 0.774199
119.369345854075, 0 120.877176747998, 0 120.877745116612, 0.59645 120.878313489236, 0.889804
120.878881865868, 1.032198 120.879450246509, 0.946028 120.880018631159, 0.700353
120.880587399507, 0 121.023949239171, 0 121.024518643295, 0.875936 121.025088051437, 1.115367
121.025657463598, 1.118315 121.026226879777, 0.899925 121.026796299976, 0.5879
121.027380576168, 0 126.791576378423, 0 126.792186967822, 0.812817 126.792797561633, 1.175299
126.793408159854, 1.191395 126.794018762486, 0.890759 126.794629369529, 0.527461
126.79524280612, 0 127.881122389825, 0 127.881740866496, 0.73808 127.882359347655, 0.936482
127.8829778333, 1.015835 127.883596323432, 0.932288 127.884214818051, 0.701327
127.884846617491, 0 133.057001805819, 0 133.057658208417, 0.745027 133.058314615872, 1.037879
133.058971028185, 1.133274 133.059627445355, 0.963626 133.060283867382, 0.603455
133.060945608219, 0 135.107367125862, 0 135.108038759204, 0.490328 135.108710397555, 0.852567
135.109382040914, 1.076752 135.110053689281, 0.969579 135.110725342656, 0.600787
135.111397011489, 0 135.112068674881, 0.440946 135.112740343282, 0.855916
135.113412016691, 1.148922 135.114083695109, 1.010585 135.114755378535, 0.538868
135.115441833381, 0 143.666074704781, 0 143.666811157918, 0.404561 143.667547616719, 0.848152
143.668284081182, 1.19453 143.669020551308, 1.261951 143.669757027097, 1.015483
143.670493508549, 0.613301 143.671252563881, 0 155.65627008926, 0 155.657100635463, 0.512761
155.657931188313, 0.923266 155.658761747811, 1.266492 155.659592313957, 1.891252
155.66042288675, 1.360293 155.661253466191, 0.916328 155.66208405228, 0.432594
155.662926089749, 0 163.589879711003, 0 163.590774557592, 0.583501 163.591669411523, 0.910459
163.592564272797, 1.065584 163.593459141413, 0.960146 163.594354017372, 0.683242
163.595257499226, 0 170.674551406133, 0 170.675505008141, 0.553482 170.676458618142, 0.938091
170.677412236135, 1.093734 170.67836586212, 0.902803 170.679319496097, 0.500592
170.680289729462, 0 181.495596492882, 0 181.4966422076, 0.665173 181.497687931356, 0.937314
181.49873366415, 1.03755 181.499779405981, 0.892074 181.500825156851, 0.576057
181.501868521076, 0 184.501187423396, 0 184.502259221233, 0.549639 184.503331028409, 0.898515
184.504402844925, 1.054813 184.50547467078, 0.909378 184.506546505975, 0.562816
184.507627676716, 0 188.581517161945, 0 188.582624710648, 0.591837 188.583732269108, 0.932107
188.584839837325, 1.087854 188.5859474153, 0.928717 188.587055003032, 0.543012
188.588274431059, 0 194.807656695823, 0 194.808819543628, 0.457473 194.809982401845, 0.900749
194.811145270474, 1.245689 194.812308149516, 1.253392 194.813471038969, 0.924467
194.814633938836, 0.525515 194.815812177636, 0 200.308961833816, 0 200.310174285487, 0.774183
200.311386748166, 1.17248 200.312599221853, 1.351032 200.313811706549, 1.156373
200.315024202254, 0.692313 200.316178302411, 0 208.308974128235, 0 208.310259936225, 0.569247
208.311545756121, 0.965395 208.312831587921, 1.224876 208.314117431628, 1.138385
208.31540328724, 0.760943 208.316698076537, 0 212.027723161136, 0 212.02904355391, 0.644935
212.030363959018, 0.8923 212.031684376461, 1.021595 212.033004806238, 0.930962
212.034325248349, 0.644221 212.035515563941, 0 233.116226040363, 0 233.117748246623, 0.596169
233.119270467793, 0.960854 233.120792703873, 1.15603 233.122314954863, 1.046276
233.123837220763, 0.707309 233.125360332953, 0 233.628528512569, 0 233.630055739454, 0.693634
233.631582981314, 1.027444 233.633110238149, 1.141235 233.63463750996, 0.976477
233.636164796747, 0.645789 233.637694534413, 0 235.127801920081, 0 235.129343871644, 0.535658
235.130885838374, 1.116413 235.132427820273, 1.486698 235.133969817341, 1.428712
235.135511829577, 0.926004 235.137053856982, 0.431705 235.138517891074, 0
245.812741694345, 0 245.814389938834, 0.781456 245.816038199902, 1.184493
245.817686477548, 1.34796 245.819334771772, 1.177741 245.820983082574, 0.77675
245.822633839864, 0 247.779273492515, 0 247.780941555771, 0.866835 247.782609635872, 1.151316
247.784277732818, 1.186972 247.785945846608, 0.925516 247.787613977243, 0.513378
247.789283252119, 0 248.69087219406, 0 248.692549471187, 0.648085 248.694226765283, 1.035381
248.695904076347, 1.168563 248.69758140438, 0.993742 248.699258749383, 0.656777
248.700941196783, 0 252.805257142557, 0 252.806976215173, 0.683359 252.808695305322, 0.938095
252.810414413007, 1.032825 252.812133538226, 0.91076 252.813852680981, 0.625592
252.815573095152, 0 253.819107236461, 0 253.820836660703, 0.672832 253.822566102621, 0.946124
253.824295562214, 1.103525 253.826025039484, 1.061159 253.82775453443, 0.838567
253.829402076695, 0 273.34072073042, 0 273.342653463569, 0.596565 273.344586217216, 0.886651
273.346518991363, 1.098588 273.348451786009, 1.041115 273.350384601155, 0.726884
273.352107316973, 0 305.788502777663, 0 305.790789680588, 0.559757 305.793076609169, 1.274652
305.795363563404, 1.983602 305.797650543295, 1.962889 305.799937548842, 1.184146
305.802224580045, 0.784797 305.804512212786, 0 313.93112833988, 0 313.933507192833, 0.827158
313.935886072826, 1.156652 313.938264979859, 1.218005 313.940643913932, 0.989263
313.943022875045, 0.62372 313.94527903868, 0 316.121418678781, 0 316.123822472352, 0.77665
316.126226293341, 1.150611 316.128630141748, 1.266122 316.131034017574, 1.022589
316.133437920819, 0.566197 316.135643922604, 0 320.907946914454, 0 320.910405511791, 0.46569
320.912864137383, 1.78593 320.915322791229, 3.504224 320.917781473331, 5.193076
320.920240183688, 4.895318 320.922698922301, 3.128825 320.925157689171, 1.489888
320.927616484299, 0.439668 320.930271076178, 0 322.906420706688, 0 322.908902304097, 0.458373
322.911383930113, 1.621624 322.913865584737, 2.912962 322.91634726797, 3.367379
322.918828979811, 2.34483 322.921310720261, 1.248484 322.923792489321, 0.463382
322.926273548249, 0 325.229230944256, 0 325.23173936666, 0.561979 325.234247818085, 0.98356
325.236756298531, 1.187383 325.239264807998, 1.029544 325.241773346487, 0.644859
325.244027838046, 0 327.146311328189, 0 327.148841965256, 0.213542 327.151372631686, 1.223054
327.153903327481, 3.507755 327.15643405264, 5.99728 327.158964807164, 7.441045
327.161495591054, 5.573313 327.164026404309, 3.124733 327.166557246931, 0.954887
327.16908811892, 0.049036 327.17187216476, 0 328.15354025762, 0 328.156082587855, 0.281111
328.158624947634, 1.257003 328.161167336959, 2.370521 328.163709755829, 2.900252
328.166252204245, 2.129873 328.168794682208, 1.198637 328.171337189717, 0.395749
328.173997538358, 0 329.126982442957, 0 329.129536092658, 0.883525 329.13208977208, 3.431876
329.134643481223, 7.169688 329.137197220087, 11.018804 329.139750988672, 10.513902
329.14230478698, 6.512902 329.14485861501, 2.824037 329.147412472763, 0.641267
329.150239696912, 0 330.135699405193, 0 330.138264800455, 0.647163 330.14083022562, 1.893989
330.143395680688, 3.33617 330.14596116566, 4.434836 330.148526680535, 3.504991
330.151092225315, 1.963002 330.153657800001, 0.581979 330.15583130592, 0
331.140661382418, 0 331.143238505127, 0.627688 331.145815657921, 1.047086
331.148392840801, 1.343082 331.150970053766, 1.330112 331.153547296818, 0.990813
331.156124569956, 0.521174 331.158701562841, 0 332.116961293456, 0 332.11954982175, 0.877854
332.122138380307, 1.714963 332.124726969127, 2.192567 332.12731558821, 1.6217
332.129904237558, 0.868993 332.132491319697, 0 337.135303641481, 0 337.137951060572, 0.582313
337.140598510848, 1.146427 337.143245992308, 1.91876 337.145893504953, 1.535208
337.148541048784, 0.788708 337.151188305231, 0 338.135594874525, 0 338.138254084835, 0.551671
338.140913326515, 1.496591 338.143572599564, 2.427338 338.146231903984, 2.304481
338.148891239775, 1.21993 338.151550606937, 0.567031 338.154076213933, 0
341.128160635148, 0 341.13085522687, 0.0904 341.133549850518, 1.056184
341.136244506095, 2.132216 341.138939193599, 2.963885 341.141633913032, 2.38301
341.144328664395, 1.330802 341.147023447687, 0.437226 341.149717551684, 0
342.135462016723, 0 342.138168552369, 0.875189 342.140875120132, 1.930912
342.14358172001, 2.853549 342.146288352006, 2.495398 342.148995016119, 1.528029
342.151701712351, 0.693857 342.154901985248, 0 343.139570413901, 0 343.14228886725, 0.490971
343.145007352903, 1.492289 343.147725870863, 5.111844 343.150444421127, 10.334532
343.153163003699, 15.732002 343.155881618576, 15.060675 343.158600265761, 9.381632
343.161318945254, 4.143729 343.164037657056, 0.933913 343.164584456805, 0
344.145435784798, 0 344.148166225923, 0.452858 344.150896699542, 2.053371
344.153627205657, 3.724286 344.156357744267, 4.591255 344.159088315374, 3.363053
344.161818918978, 1.845245 344.164549555079, 0.602573 344.166673268533, 0
346.127451464788, 0 346.130205534883, 0.129357 346.132959637847, 3.716503
346.135713773683, 8.537622 346.13846794239, 13.50638 346.141222143969, 12.980177
346.14397637842, 8.349785 346.146730645744, 4.172414 346.149484945941, 1.821468
346.152239279013, 1.030595 346.154993644959, 0.777604 346.160029857254, 0
347.137156648257, 0 347.13992275084, 0.372333 347.142688886484, 1.381865
347.145455055191, 2.525164 347.148221256961, 3.379334 347.150987491794, 2.870784
347.153753759692, 1.742354 347.156520060654, 0.724162 347.159628479816, 0
348.140992305291, 0 348.143770410795, 0.68736 348.146548549553, 1.672893
348.149326721564, 5.459633 348.15210492683, 12.335043 348.154883165351, 19.896466
348.157661437127, 22.008474 348.16043974216, 14.925601 348.163218080449, 7.639153
348.165996451995, 1.822219 348.168774856798, 0.041768 348.171802530467, 0
349.146302563856, 0 349.149092708382, 0.248307 349.151882886355, 0.992796
349.154673097773, 3.079569 349.157463342638, 5.664496 349.16025362095, 7.903869
349.16304393271, 6.674762 349.165834277919, 3.911929 349.168624656576, 1.388461
349.171415068682, 0.194971 349.173609931851, 0 353.161532687663, 0 353.164371108168, 0.693183
353.167209562893, 1.071372 353.170048051837, 1.290149 353.172886575002, 1.187964
353.175725132388, 0.791524 353.178562320026, 0 355.145379145718, 0 355.148241516592, 0.838638
355.151103922071, 1.458206 355.153966362156, 2.135354 355.156828836847, 1.823191
355.159691346144, 1.010094 355.162553890049, 0.426665 355.165566643788, 0
357.146140319935, 0 357.149026911393, 1.073434 357.151913537847, 2.133295
357.154800199298, 2.621646 357.157686895746, 4.989384 357.160573627192, 16.145884
357.163460393636, 50.318938 357.166347195078, 89.463425 357.16923403152, 121.80922
357.172120902962, 100.399721 357.175007809404, 59.921271 357.177894750847, 22.217256
357.180781727291, 5.989866 357.183668738738, 2.186071 357.186555785188, 2.093296
357.189442866641, 0.796176 357.192169644376, 0 358.158428382078, 0 358.161327256738, 1.101054
358.164226166593, 6.513719 358.167125111643, 20.946047 358.170024091889, 39.097682
358.172923107331, 57.304156 358.17582215797, 54.707766 358.178721243807, 35.551655
358.181620364841, 17.617425 358.184519521074, 5.27896 358.187418712507, 0.72565
358.188130779353, 0 359.135158168888, 0 359.138068936461, 0.791712 359.140979739421, 3.419521
359.143890577769, 6.194033 359.146801451505, 7.683571 359.149712360631, 5.769942
359.152623305146, 3.452264 359.155534285051, 1.427751 359.158445300346, 0.367703
359.162280373203, 0 359.165191459282, 0 359.168102580753, 0.001718 359.171013737618, 1.416664
359.173924929875, 3.795325 359.176836157527, 6.458377 359.179747420574, 7.48669
359.182658719016, 5.227597 359.185570052854, 2.795375 359.188481422088, 0.874933
359.192662590521, 0 360.143670546162, 0 360.146593556459, 0.857828 360.149516602341, 1.208262
360.152439683809, 1.844384 360.155362800865, 1.555966 360.158285953508, 0.924715
360.161341917881, 0 361.142616535728, 0 361.145551714364, 0.723926 361.148486928783, 1.400392
361.151422178986, 2.033186 361.154357464974, 5.956587 361.157292786748, 19.902746
361.160228144307, 40.178981 361.163163537652, 61.452711 361.166098966785, 60.438097
361.169034431705, 38.727513 361.171969932414, 18.441065 361.174905468911, 5.104869
361.177841041197, 1.421658 361.180776649273, 0.965962 361.18371229314, 0.400089
361.186739007379, 0 362.154524023992, 0 362.157471546552, 0.349532 362.160419105096, 1.888803
362.163366699625, 4.334089 362.16631433014, 7.040326 362.169261996641, 7.252939
362.172209699128, 4.63716 362.175157437603, 2.160938 362.178105212065, 0.462644
362.179832687675, 0 369.153279834572, 0 369.156313226552, 0.22367 369.15934665592, 2.072158
369.162380122678, 5.545057 369.165413626826, 9.330756 369.168447168365, 10.84261
369.171480747295, 7.707042 369.174514363616, 4.198438 369.177548017331, 1.29872
369.180581708438, 0.293231 369.184461368526, 0 369.430317618182, 0 369.433354415062, 0.610604
369.436391249386, 1.024443 369.439428121156, 1.236543 369.442465030371, 1.104852
369.445501977033, 0.727493 369.450146146256, 0 370.164877174385, 0 370.167923013289, 0.830034
370.170968889787, 2.04532 370.174014803879, 3.431689 370.177060755566, 4.435085
370.180106744848, 3.862353 370.183152771726, 2.363852 370.1861988362, 0.969838
370.189244938272, 0.07058 370.191499215393, 0 373.148641586528, 0 373.151724336634, 0.423407
373.154807124942, 1.366765 373.157889951453, 4.034335 373.160972816168, 7.17491
373.164055719087, 9.813472 373.16713866021, 8.148263 373.170221639538, 4.773994
373.173304657073, 1.63021 373.176387712814, 0.133721 373.17864915202, 0
375.200097459217, 0 375.203205676519, 0.643485 375.206313932445, 1.009597
375.209422226996, 1.158101 375.212530560171, 0.991745 375.215638931971, 0.640167
375.218738628187, 0 383.137867590399, 0 383.141074964349, 0.539446 383.144282378574, 1.418823
383.147489833075, 2.400089 383.150697327852, 2.467434 383.153904862907, 1.524744
383.157112438239, 0.629987 383.159564991465, 0 384.17519249761, 0 384.178412915558, 0.043175
384.181633374, 2.298186 384.184853872936, 10.205152 384.188074412367, 20.456296
384.191294992293, 30.694142 384.194515612716, 28.660992 384.197736273636, 18.114486
384.200956975054, 8.507666 384.20417771697, 2.944418 384.207398499386, 1.237829
384.2106193223, 0.604171 384.214593002537, 0 385.18591679701, 0 385.189149922684, 0.908617
385.192383089065, 1.130933 385.195616296154, 1.210013 385.198849543951, 1.102038
385.202082832456, 0.82313 385.20531509231, 0 386.160927548287, 0 386.164172957631, 0.909923
386.167418407889, 1.357957 386.170663899061, 1.447167 386.173909431147, 1.102032
386.177155004148, 0.561324 386.17914910091, 0 388.166624704458, 0 388.169895447133, 0.113684
388.173166231148, 0.997369 388.176437056504, 2.589151 388.1797079232, 4.345807
388.182978831238, 5.057591 388.186249780619, 3.669894 388.189520771342, 2.040298
388.192791803409, 0.686845 388.197768270348, 0 389.177676657379, 0 389.180960165638, 0.341594
389.184243715451, 1.002407 389.187527306821, 3.076922 389.190810939746, 6.365932
389.194094614228, 9.934433 389.197378330268, 10.234547 389.200662087866, 6.699046
389.203945887023, 3.319658 389.20722972774, 0.868274 389.210055350491, 0
390.150954129882, 0 390.154249969039, 0.628378 390.15754584996, 1.056417
390.160841772644, 1.693165 390.164137737092, 1.903316 390.167433743306, 1.381485
390.170729791285, 0.824543 390.173232911024, 0 390.183121430868, 0 390.186417687687, 0.068896
390.189713986276, 1.221247 390.193010326636, 3.017334 390.196306708768, 5.009077
390.199603132672, 5.517798 390.202899598348, 3.772022 390.206196105798, 1.972881
390.209492655023, 0.556962 390.213480564965, 0 400.160985622026, 0 400.1644091138, 0.181103
400.167832649507, 1.096039 400.171256229149, 1.695755 400.174679852726, 6.396092
400.178103520238, 23.513494 400.181527231687, 58.516824 400.184950987074, 96.484095
400.188374786398, 113.494754 400.191798629662, 81.999993 400.195222516864, 45.751473
400.198646448008, 14.59167 400.202070423092, 4.115297 400.205494442118, 1.833862
400.208918505086, 1.567988 400.212342611998, 0.82611 400.217321883252, 0
401.143452805586, 0 401.146888893049, 0.895199 401.150325024662, 2.518782
401.153761200424, 8.048775 401.157197420337, 14.564614 401.160633684402, 18.192489
401.164069992618, 14.870581 401.167506344988, 8.181481 401.170942741512, 1.381928
401.17437918219, 0 401.17661065418, 0 401.180047183169, 1.684254 401.183483756315, 8.405061
401.186920373619, 23.118933 401.190357035081, 38.639626 401.193793740701, 50.273401
401.197230490482, 41.492671 401.200667284423, 25.141251 401.204104122525, 9.903681
401.20754100479, 2.229806 401.210977931217, 0 412.371212832918, 0 412.374794205943, 0.853006
412.378375625623, 1.206581 412.38195709196, 1.38383 412.385538604954, 1.297944
412.389120164605, 1.005462 412.392701770916, 0.648728 412.396281399016, 0
415.019773751902, 0 415.023389679112, 14.065394 415.027005658234, 12.299643
415.030621684615, 7.781396 415.034237758253, 1.963366 415.037853879151, 0
415.178875705635, 0 415.182493717578, 58.423311 415.186111776815, 109.441042
415.189729883345, 208.608079 415.19334803717, 239.179754 415.19696623829, 592.896748
415.200584486707, 2035.305023 415.204202782421, 5123.417664 415.207821125433, 8465.803528
415.211439515743, 10000 415.215057953354, 7204.611969 415.218676438264, 3984.464264
415.222294970476, 1241.964245 415.22591354999, 355.713034 415.229532176807, 176.282322
415.233150850928, 131.003225 415.236769572353, 28.81445 415.240388341084, 7.153307
415.244007157121, 0 415.25852640437, 0 415.260595806996, 69.280952 415.264214906888, 32.435358
415.267834054091, 7.076737 415.271453248608, 3.254044 415.271244024033, 0
415.736489601119, 0 415.743900829829, 1.290432 415.747526229461, 0.769725
415.751151652912, 0 416.199825727466, 0 416.203457108768, 2.114811 416.207088537596, 6.028142
416.210720013951, 10.282891 416.214351537833, 12.054664 416.217983109245, 8.72985
416.221614728186, 4.947561 416.225246394657, 1.700856 416.228878108659, 0.418414
416.23375645911, 0 418.110448271174, 0 418.114104670269, 0.505081 418.117761117328, 0.953162
418.121417612352, 1.255376 418.12507415534, 1.231434 418.128730746294, 0.898951
418.132374787301, 0 434.206372711096, 0 434.210242269305, 0.614325 434.214111879241, 0.995528
434.217981540905, 1.183007 434.221851254298, 1.093787 434.225721019421, 0.821475
434.229590836275, 0 
##END=$$ End of the data block
