##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=75670712.000000
##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=526
##FIRSTX=82.51080322
##LASTX=337.13552856
##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)
82.510803222656, 0 82.511123657227, 1.653664 82.511444091797, 2.580769
82.511764526367, 2.870432 82.512084960937, 2.380512 82.512405395508, 1.52463
82.512725830078, 0 83.755577087402, 0 83.755905151367, 1.862033 83.756233215332, 2.807635
83.756561279297, 3.038303 83.756889343262, 2.398423 83.757217407227, 1.356574
83.757545471191, 0 84.585502624512, 0 84.585838317871, 1.477901 84.586166381836, 2.292588
84.586502075195, 2.797538 84.586837768555, 2.490373 84.58716583252, 1.457048
84.587532043457, 0 96.262672424316, 0 96.263076782227, 1.313447 96.263481140137, 2.252893
96.263885498047, 2.676561 96.264289855957, 2.283004 96.264694213867, 1.327735
96.265113830566, 0 103.051765441895, 0 103.052207946777, 1.70228 103.052658081055, 2.364
103.053108215332, 2.603845 103.053550720215, 2.118478 103.054000854492, 1.132437
103.05445098877, 0 103.161018371582, 0 103.161460876465, 1.782919 103.161911010742, 2.558284
103.16236114502, 2.68687 103.162811279297, 2.112853 103.16325378418, 1.263259
103.163711547852, 0 106.876045227051, 0 106.876518249512, 1.602497 106.876991271973, 2.421679
106.877464294434, 2.852026 106.8779296875, 2.631286 106.878402709961, 1.891779
106.878875732422, 0 107.145896911621, 0 107.146369934082, 1.543384 107.146842956543, 2.439524
107.147323608398, 2.943067 107.147796630859, 2.713736 107.14826965332, 1.881769
107.148765563965, 0 114.864364624023, 0 114.864891052246, 1.634191 114.865417480469, 2.297516
114.865943908691, 2.58316 114.866470336914, 2.273124 114.866996765137, 1.535715
114.867530822754, 0 118.107246398926, 0 118.107795715332, 1.986148 118.108345031738, 2.656585
118.108894348145, 2.733551 118.109443664551, 2.121701 118.109992980957, 1.171767
118.110565185547, 0 128.376174926758, 0 128.376800537109, 1.24111 128.377426147461, 2.252119
128.378051757812, 2.823831 128.378662109375, 2.584461 128.379287719727, 1.759048
128.379943847656, 0 142.508148193359, 0 142.508865356445, 1.507994 142.50959777832, 2.290954
142.510330200195, 2.628934 142.511047363281, 2.311957 142.511779785156, 1.576511
142.512512207031, 0 145.658874511719, 0 145.659622192383, 1.495546 145.660385131836, 2.443391
145.6611328125, 2.901531 145.661880493164, 2.579254 145.662643432617, 1.709584
145.663391113281, 0 150.04231262207, 0 150.043090820313, 1.836042 150.043884277344, 2.469407
150.044662475586, 2.87513 150.045455932617, 2.837842 150.046249389648, 2.327781
150.047027587891, 1.551717 150.047821044922, 0 150.106781005859, 0 150.107574462891, 1.207825
150.108352661133, 2.365752 150.109146118164, 3.169956 150.109939575195, 3.098978
150.110717773438, 2.223037 150.111572265625, 0 191.6181640625, 0 191.619293212891, 1.069979
191.62043762207, 2.348508 191.621566772461, 3.10047 191.622695922852, 2.768064
191.623840332031, 1.632931 191.625076293945, 0 192.845886230469, 0 192.847030639648, 1.508921
192.848175048828, 2.430105 192.849319458008, 2.9177 192.850463867187, 2.667193
192.851608276367, 1.7998 192.852752685547, 0 194.078399658203, 0 194.079559326172, 1.499986
194.080718994141, 2.336629 194.081878662109, 2.679166 194.083023071289, 2.330297
194.084182739258, 1.527885 194.085342407227, 0 195.884368896484, 0 195.885543823242, 2.228836
195.886703491211, 3.020936 195.887878417969, 3.207263 195.889053344727, 2.674616
195.890228271484, 1.773799 195.891403198242, 0 199.645111083984, 0 199.64631652832, 1.653839
199.647521972656, 2.630725 199.648727416992, 3.124024 199.649932861328, 2.826241
199.651138305664, 1.937134 199.652359008789, 0 201.932662963867, 0 201.933883666992, 1.691766
201.935119628906, 2.585546 201.936340332031, 3.011964 201.937576293945, 2.697887
201.93879699707, 1.827437 201.939956665039, 0 203.19514465332, 0 203.196380615234, 1.489258
203.197631835938, 2.3405 203.198867797852, 2.859963 203.200103759766, 2.718749
203.20133972168, 1.982575 203.202590942383, 0 206.051742553711, 0 206.053009033203, 2.000172
206.054275512695, 2.715021 206.055541992187, 2.849612 206.05680847168, 2.271856
206.058059692383, 1.275455 206.059326171875, 0 206.793746948242, 0 206.795013427734, 1.484926
206.796279907227, 2.332793 206.797561645508, 2.866727 206.798828125, 2.812706
206.800094604492, 2.275973 206.801376342773, 1.567423 206.802658081055, 0
211.662582397461, 0 211.66389465332, 2.160044 211.66520690918, 3.056094
211.666534423828, 3.349169 211.667846679688, 2.864997 211.669158935547, 1.933062
211.67041015625, 0 216.781753540039, 0 216.783111572266, 2.188628 216.784484863281, 2.804495
216.785842895508, 2.963693 216.787216186523, 2.59475 216.78857421875, 1.879454
216.789962768555, 0 224.769882202148, 0 224.771331787109, 1.921675 224.772766113281, 2.653915
224.774215698242, 2.881288 224.775650024414, 2.369773 224.777084350586, 1.375154
224.778381347656, 0 246.842971801758, 0 246.844635009766, 1.45566 246.846298217773, 2.402879
246.847946166992, 2.787944 246.849609375, 2.481615 246.851272583008, 1.755593
246.852935791016, 0 257.244934082031, 0 257.246704101563, 2.136412 257.248474121094, 2.765589
257.250244140625, 2.846412 257.252014160156, 2.391089 257.253784179687, 1.660414
257.255432128906, 0 263.080596923828, 0 263.082427978516, 1.800851 263.084259033203, 2.539399
263.086090087891, 2.780051 263.087890625, 2.405576 263.089721679688, 1.663403
263.091369628906, 0 275.084594726562, 0 275.086547851562, 0.463159 275.088500976562, 3.029657
275.090423583984, 8.164388 275.092376708984, 13.831583 275.094329833984, 16.095945
275.096282958984, 11.292341 275.098236083984, 6.013932 275.100189208984, 1.679136
275.102233886719, 0 278.076721191406, 0 278.078704833984, 1.583926 278.080688476562, 5.098531
278.082672119141, 8.042643 278.084655761719, 6.58534 278.086639404297, 3.819081
278.088623046875, 1.423616 278.090606689453, 0 289.090667724609, 0 289.0927734375, 1.997985
289.094879150391, 3.086413 289.096984863281, 3.598667 289.099090576172, 2.333669
289.101196289062, 0.667587 289.103302001953, 0 290.070648193359, 0 290.072784423828, 2.239046
290.074890136719, 5.522931 290.076995849609, 9.140584 290.0791015625, 11.5495
290.081237792969, 10.122104 290.083343505859, 6.538631 290.08544921875, 3.143544
290.087554931641, 0.697256 290.088500976562, 0 291.079925537109, 0 291.082061767578, 3.410968
291.084167480469, 9.808323 291.086303710938, 16.79652 291.088439941406, 18.687922
291.090545654297, 13.082537 291.092681884766, 7.148927 291.094787597656, 2.785728
291.096923828125, 1.546002 291.100250244141, 0 292.081909179687, 0 292.084045410156, 0.720354
292.086181640625, 5.858826 292.088317871094, 37.017104 292.090454101562, 143.190348
292.092590332031, 412.085342 292.0947265625, 699.330378 292.096862792969, 889.75563
292.098999023438, 683.981705 292.101135253906, 401.19009 292.103271484375, 135.645747
292.105407714844, 40.587831 292.107543945313, 17.08207 292.109680175781, 15.358657
292.11181640625, 6.32989 292.113952636719, 1.959771 292.116088867188, 0
293.085693359375, 0 293.087829589844, 2.519512 293.089965820313, 3.630686
293.092132568359, 11.208925 293.094268798828, 40.570071 293.096405029297, 100.540471
293.098571777344, 165.588772 293.100708007813, 192.001271 293.102844238281, 136.510324
293.105010986328, 74.44554 293.107147216797, 23.260473 293.109283447266, 7.11174
293.111450195313, 3.770136 293.113586425781, 2.228704 293.115692138672, 0
296.401000976562, 0 296.403198242187, 1.994119 296.405364990234, 2.591322
296.407562255859, 2.740799 296.409729003906, 2.344071 296.411926269531, 1.620245
296.414093017578, 0 301.76953125, 0 301.771759033203, 2.179981 301.774017333984, 2.833373
301.776245117187, 2.911142 301.778472900391, 2.36331 301.780731201172, 1.488469
301.782958984375, 0 303.080841064453, 0 303.083099365234, 1.360141 303.085357666016, 4.549756
303.087615966797, 7.963201 303.089874267578, 8.662248 303.092132568359, 5.781762
303.094390869141, 2.931914 303.096618652344, 1.378272 303.0986328125, 0
304.084991455078, 0 304.087280273438, 0.918707 304.089538574219, 7.717475
304.091796875, 26.587719 304.094085693359, 47.644937 304.096343994141, 65.04212
304.098602294922, 53.916937 304.100891113281, 32.623377 304.103149414063, 13.024314
304.105407714844, 4.284449 304.107696533203, 2.047098 304.111145019531, 0
305.093322753906, 0 305.095581054687, 4.148226 305.097869873047, 13.079889
305.100158691406, 30.053434 305.102447509766, 49.234045 305.104705810547, 63.938981
305.106994628906, 53.912246 305.109283447266, 32.945195 305.111541748047, 13.145453
305.113830566406, 2.026244 305.115142822266, 0 306.058685302734, 0 306.060974121094, 1.495219
306.063293457031, 3.059627 306.065582275391, 3.487429 306.06787109375, 9.423307
306.070159912109, 33.92294 306.072448730469, 77.560842 306.074737548828, 124.928379
306.077026367188, 135.638857 306.079315185547, 91.749549 306.081604003906, 47.302884
306.083892822266, 13.667405 306.086181640625, 4.239351 306.088470458984, 3.148538
306.090759277344, 3.041328 306.093048095703, 1.815872 306.095428466797, 0
306.100036621094, 0 306.102325439453, 2.195947 306.104614257812, 7.332779
306.106903076172, 16.487592 306.109191894531, 26.865268 306.111480712891, 32.372743
306.11376953125, 24.975762 306.116058349609, 14.861555 306.118347167969, 5.416865
306.120635986328, 0.840915 306.122863769531, 0 306.175537109375, 0 306.177825927734, 1.77964
306.180114746094, 2.659837 306.182403564453, 3.042322 306.184722900391, 2.732963
306.18701171875, 1.954121 306.189239501953, 0 307.068756103516, 0 307.071044921875, 0.73799
307.073333740234, 4.350962 307.075653076172, 11.035145 307.077941894531, 18.518551
307.080261230469, 21.672028 307.082550048828, 15.527366 307.084838867188, 8.462807
307.087158203125, 2.5939 307.089447021484, 0.621355 307.091796875, 0 307.10791015625, 0
307.110198974609, 0.95209 307.112518310547, 4.045895 307.114807128906, 7.2958
307.117126464844, 9.1377 307.119415283203, 6.943727 307.121734619141, 3.992759
307.1240234375, 1.520409 307.126373291016, 0 308.113952636719, 0 308.116271972656, 0.321513
308.118591308594, 3.922636 308.120910644531, 18.29074 308.123229980469, 59.566164
308.125518798828, 107.336831 308.127838134766, 148.482347 308.130157470703, 125.180042
308.132476806641, 75.782704 308.134765625, 29.908428 308.137084960937, 8.722655
308.139404296875, 3.758512 308.141723632813, 3.718359 308.14404296875, 2.458548
308.146362304687, 1.604806 308.148345947266, 0 318.06298828125, 0 318.0654296875, 0.645361
318.067840576172, 4.74707 318.070281982422, 18.200451 318.072692871094, 37.261558
318.075134277344, 57.580167 318.077545166016, 57.255858 318.079986572266, 37.05993
318.082397460938, 18.121415 318.084838867187, 5.493685 318.087249755859, 1.871791
318.08984375, 0 318.643737792969, 0 318.646179199219, 1.490875 318.648620605469, 2.392147
318.651062011719, 2.859976 318.653472900391, 2.571895 318.655914306641, 1.750502
318.658599853516, 0 319.070129394531, 0 319.072570800781, 0.24028 319.075012207031, 4.866573
319.077453613281, 16.483098 319.079895019531, 33.587703 319.082336425781, 51.925081
319.084777832031, 54.473042 319.087219238281, 36.848378 319.089630126953, 19.192868
319.092071533203, 5.43162 319.094512939453, 0.689658 319.096710205078, 0
319.516418457031, 0 319.518859863281, 1.435882 319.521301269531, 2.334724
319.523742675781, 3.005449 319.526184082031, 3.044299 319.528625488281, 2.403836
319.531066894531, 1.446096 319.533508300781, 0 320.074157714844, 0 320.076599121094, 7.569571
320.079071044922, 15.356062 320.081512451172, 31.471807 320.083953857422, 107.590187
320.086395263672, 349.468803 320.0888671875, 653.53632 320.09130859375, 941.802597
320.09375, 841.657257 320.096221923828, 520.422649 320.098663330078, 223.375368
320.101104736328, 64.608645 320.103546142578, 25.486925 320.106018066406, 22.692685
320.108459472656, 14.248168 320.110900878906, 6.234639 320.113342285156, 0
321.075592041016, 0 321.077941894531, 13.47969 321.080413818359, 26.225013
321.082885742188, 93.65961 321.085327148438, 189.859736 321.087799072266, 239.067459
321.090240478516, 723.002195 321.092712402344, 2573.775673 321.095184326172, 5773.950195
321.097625732422, 9242.36145 321.10009765625, 10000 321.102569580078, 6784.497833
321.105010986328, 3533.296204 321.107482910156, 1071.637058 321.109924316406, 364.330387
321.112396240234, 266.83085 321.114868164062, 207.823539 321.117309570313, 103.353298
321.119781494141, 34.095529 321.122253417969, 0 322.084381103516, 0 322.086853027344, 5.972457
322.089324951172, 24.414998 322.091796875, 48.157465 322.094268798828, 166.154468
322.096740722656, 562.735415 322.099243164062, 1134.819984 322.101715087891, 1741.055679
322.104187011719, 1721.562004 322.106658935547, 1110.949612 322.109130859375, 537.865257
322.111602783203, 157.225299 322.114074707031, 57.164067 322.116546630859, 50.333577
322.119018554687, 39.154351 322.121490478516, 20.500475 322.123962402344, 4.171961
322.126434326172, 0 334.095825195313, 0 334.098449707031, 0.940795 334.101043701172, 2.341856
334.103668212891, 4.939311 334.106262207031, 6.559324 334.10888671875, 5.418095
334.111480712891, 2.934269 334.114105224609, 0.657443 334.116729736328, 0
336.102752685547, 0 336.105407714844, 2.07091 336.108032226562, 4.555679
336.110656738281, 8.081007 336.113311767578, 9.291807 336.115936279297, 5.517079
336.118560791016, 1.700541 336.121215820313, 0 337.114349365234, 0 337.116973876953, 0.844656
337.11962890625, 3.400133 337.122283935547, 6.280989 337.124938964844, 8.769505
337.127563476562, 7.957819 337.130218505859, 5.023672 337.132873535156, 2.319757
337.135528564453, 0 
##END=$$ End of the data block
