##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=7873295.500000
##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=469
##FIRSTX=94.98459625
##LASTX=342.70745850
##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)
94.984596252441, 0 94.984992980957, 2.250373 94.985389709473, 3.711475
94.985786437988, 4.460652 94.986183166504, 4.059735 94.98657989502, 2.779615
94.986976623535, 0 95.02855682373, 0 95.028953552246, 2.251854 95.029350280762, 3.737704
95.029747009277, 4.585422 95.030143737793, 4.21881 95.030540466309, 2.852128
95.030937194824, 0 95.181274414063, 0 95.181671142578, 2.876324 95.182067871094, 4.262849
95.182464599609, 4.810758 95.182861328125, 4.13093 95.183258056641, 2.621526
95.183708190918, 0 116.452751159668, 0 116.45329284668, 1.971935 116.453826904297, 3.805902
116.454368591309, 4.698534 116.454902648926, 4.048279 116.455444335938, 2.37342
116.455986022949, 0 118.72834777832, 0 118.728897094727, 2.134802 118.729454040527, 3.715026
118.730003356934, 4.795089 118.730560302734, 4.699881 118.731117248535, 3.509943
118.731666564941, 2.083645 118.73225402832, 0 133.038711547852, 0 133.039367675781, 2.735357
133.040023803711, 4.143361 133.040679931641, 4.86691 133.04133605957, 4.311684
133.0419921875, 2.753887 133.042663574219, 0 139.451507568359, 0 139.452209472656, 1.950629
139.452911376953, 3.626992 139.453628540039, 4.804137 139.454330444336, 4.822877
139.455032348633, 3.692249 139.45573425293, 2.102621 139.456451416016, 0
147.127685546875, 0 147.128448486328, 2.615736 147.129211425781, 4.219805
147.129974365234, 4.618691 147.130737304688, 3.596819 147.131500244141, 1.939825
147.132263183594, 0 149.383453369141, 0 149.384231567383, 2.346105 149.385009765625, 3.66752
149.385787963867, 4.172631 149.386566162109, 3.594249 149.387344360352, 2.325863
149.388153076172, 0 159.500106811523, 0 159.5009765625, 2.418034 159.501831054687, 3.573135
159.502700805664, 4.250762 159.503555297852, 3.911242 159.504425048828, 2.650178
159.505294799805, 0 173.53466796875, 0 173.53564453125, 2.861399 173.53662109375, 3.994414
173.53759765625, 4.300303 173.53857421875, 3.558147 173.53955078125, 2.264258
173.54052734375, 0 173.954849243164, 0 173.955825805664, 2.996697 173.956802368164, 5.898103
173.957794189453, 5.590324 173.958770751953, 5.055627 173.959747314453, 3.9074
173.960739135742, 2.607688 173.961730957031, 0 186.132598876953, 0 186.133682250977, 2.320006
186.134765625, 3.936953 186.135848999023, 4.906181 186.136947631836, 4.542883
186.138031005859, 3.054075 186.139114379883, 0 187.75700378418, 0 187.758117675781, 2.897227
187.759216308594, 4.028141 187.760314941406, 4.416527 187.761413574219, 3.771342
187.762512207031, 2.449262 187.763717651367, 0 192.170776367187, 0 192.171920776367, 3.015907
192.173049926758, 4.500405 192.174194335938, 4.760556 192.175338745117, 3.597511
192.176467895508, 1.956081 192.177581787109, 0 209.375259399414, 0 209.376556396484, 2.625638
209.377853393555, 4.063559 209.379135131836, 4.649735 209.380432128906, 3.815516
209.381729125977, 2.018436 209.383041381836, 0 211.773254394531, 0 211.774566650391, 2.234029
211.77587890625, 3.688396 211.777206420898, 4.283149 211.778518676758, 3.770708
211.779846191406, 2.660919 211.781158447266, 0 214.667953491211, 0 214.669296264648, 2.256819
214.670639038086, 3.713178 214.671981811523, 4.48977 214.673324584961, 4.040386
214.674682617188, 2.691027 214.675964355469, 0 225.291061401367, 0 225.292510986328, 2.805972
225.2939453125, 4.243409 225.295394897461, 4.628432 225.296844482422, 3.656341
225.298294067383, 1.976873 225.299743652344, 0 226.330123901367, 0 226.331573486328, 2.371608
226.333038330078, 3.849056 226.334487915039, 4.667659 226.3359375, 4.367502
226.33740234375, 3.200488 226.338775634766, 0 234.503158569336, 0 234.504699707031, 2.86954
234.506240844727, 3.837341 234.507766723633, 4.133655 234.509307861328, 3.495629
234.510848999023, 2.269903 234.512390136719, 0 241.321411132812, 0 241.323013305664, 1.958851
241.324615478516, 3.511697 241.326217651367, 4.596113 241.327819824219, 4.457112
241.32942199707, 3.142165 241.331024169922, 0 242.047729492187, 0 242.049331665039, 2.925818
242.05094909668, 4.034853 242.052551269531, 4.416745 242.054168701172, 3.694941
242.055770874023, 2.202399 242.05729675293, 0 249.990951538086, 0 249.992645263672, 2.27978
249.994338989258, 3.583574 249.996032714844, 4.215714 249.997711181641, 3.717501
249.999404907227, 2.404776 250.001098632813, 0 251.543212890625, 0 251.544921875, 2.281253
251.546615600586, 3.551695 251.548324584961, 4.367927 251.550033569336, 4.337626
251.551742553711, 3.630086 251.553451538086, 2.619815 251.555053710938, 0
258.781555175781, 0 258.783325195312, 3.229981 258.785125732422, 3.913468
258.786895751953, 4.035871 258.788696289063, 3.52729 258.790466308594, 2.592703
258.792236328125, 0 260.59814453125, 0 260.599945068359, 2.651901 260.601745605469, 3.884646
260.603546142578, 4.309199 260.605346679688, 3.763826 260.607147216797, 2.64829
260.608947753906, 0 262.076141357422, 0 262.077941894531, 2.281536 262.079742431641, 5.122473
262.081573486328, 7.447305 262.083374023437, 4.946881 262.085205078125, 3.00997
262.087036132812, 0 269.669403076172, 0 269.671295166016, 3.171349 269.673187255859, 4.501482
269.675079345703, 4.897272 269.676971435547, 4.047038 269.678863525391, 2.462964
269.680755615234, 0 272.373229980469, 0 272.375152587891, 2.773556 272.377075195313, 3.98087
272.378997802734, 4.375374 272.380920410156, 3.726106 272.382843017578, 2.381856
272.384674072266, 0 276.575592041016, 0 276.577575683594, 2.813332 276.579528808594, 4.234146
276.581512451172, 5.048022 276.583465576172, 4.815939 276.58544921875, 3.668821
276.58740234375, 2.212308 276.589385986328, 0 277.066070556641, 0 277.068054199219, 0.999995
277.070007324219, 4.068027 277.071990966797, 7.176273 277.073974609375, 6.626164
277.075927734375, 4.030809 277.077911376953, 2.063441 277.079895019531, 0
277.103546142578, 0 277.105529785156, 2.935925 277.107513427734, 6.903049
277.109466552734, 11.223343 277.111450195313, 11.522824 277.113403320313, 7.285304
277.115386962891, 3.231734 277.117370605469, 0 278.064819335938, 0 278.066802978516, 2.824729
278.068786621094, 5.453135 278.070770263672, 8.032622 278.07275390625, 5.035429
278.074737548828, 1.4339 278.076721191406, 0 279.066955566406, 0 279.068969726563, 1.787488
279.070953369141, 4.299781 279.072937011719, 7.811523 279.074951171875, 5.041151
279.076934814453, 1.409579 279.078948974609, 0 292.090484619141, 0 292.092620849609, 2.410784
292.094757080078, 5.65666 292.096893310547, 9.067188 292.099029541016, 9.458482
292.101165771484, 5.145435 292.103302001953, 3.46681 292.105438232422, 0
293.094360351562, 0 293.096496582031, 2.394786 293.0986328125, 6.07131
293.100799560547, 10.853625 293.102935791016, 15.64586 293.105072021484, 15.34671
293.107238769531, 9.722515 293.109375, 4.308144 293.111511230469, 0.166212
293.11376953125, 0 294.092742919922, 0 294.094879150391, 1.297667 294.097045898438, 9.869459
294.099212646484, 17.63809 294.101348876953, 19.750465 294.103515625, 29.849583
294.105682373047, 93.433917 294.107818603516, 301.216865 294.109985351562, 554.703856
294.112152099609, 786.023617 294.114288330078, 685.525274 294.116455078125, 417.721367
294.118621826172, 171.321428 294.120758056641, 45.196897 294.122924804687, 12.79377
294.125091552734, 10.223875 294.127227783203, 3.971731 294.12939453125, 2.344373
294.131286621094, 0 295.098022460937, 0 295.100189208984, 1.945872 295.102355957031, 4.450192
295.104522705078, 4.508392 295.106689453125, 6.026643 295.108856201172, 20.934972
295.111022949219, 70.78765 295.113189697266, 132.439816 295.115356445313, 189.49182
295.117523193359, 167.537677 295.119689941406, 102.789021 295.121856689453, 43.617409
295.1240234375, 11.831431 295.126190185547, 2.551045 295.128326416016, 0
306.099853515625, 0 306.102142333984, 0.667243 306.104431152344, 5.665248
306.106719970703, 21.404663 306.109008789063, 43.953073 306.111297607422, 68.023688
306.113586425781, 68.62371 306.115875244141, 44.7905 306.1181640625, 22.301088
306.120452880859, 6.483554 306.122772216797, 1.207117 306.125152587891, 0
307.080291748047, 0 307.082580566406, 2.977234 307.084899902344, 4.420488
307.087188720703, 5.04106 307.089508056641, 4.304106 307.091796875, 2.701198
307.094543457031, 0 307.108337402344, 0 307.110656738281, 2.147467 307.112945556641, 10.613229
307.115234375, 29.003894 307.117553710937, 49.860325 307.119842529297, 67.627412
307.122161865234, 58.458811 307.124450683594, 36.021754 307.126770019531, 15.137973
307.129058837891, 3.151094 307.130920410156, 0 308.079193115234, 0 308.081512451172, 3.147954
308.083831787109, 11.381669 308.086151123047, 41.187844 308.088470458984, 87.894952
308.090759277344, 138.276994 308.093078613281, 142.499328 308.095397949219, 93.496138
308.097717285156, 46.517792 308.100006103516, 12.996066 308.102325439453, 2.962471
308.105224609375, 0 308.116790771484, 0 308.119110107422, 2.866782 308.121429443359, 8.664547
308.123748779297, 18.37464 308.126037597656, 29.037309 308.128356933594, 33.00032
308.130676269531, 23.708682 308.132995605469, 13.24207 308.135284423828, 3.567144
308.137054443359, 0 308.528381347656, 0 308.530670166016, 1.818163 308.532989501953, 4.724114
308.535308837891, 6.9566 308.537628173828, 5.170908 308.539947509766, 3.029793
308.542755126953, 0 309.085845947266, 0 309.088165283203, 3.344873 309.090515136719, 11.764437
309.092834472656, 23.041077 309.095153808594, 34.1658 309.097473144531, 31.259182
309.099792480469, 19.075793 309.102111816406, 7.909782 309.104431152344, 1.403315
309.106170654297, 0 320.984558105469, 0 320.987030029297, 3.11143 320.989501953125, 4.571318
320.991943359375, 4.935544 320.994415283203, 3.912311 320.996856689453, 2.232332
320.998992919922, 0 321.087554931641, 0 321.090026855469, 1.434599 321.092468261719, 7.405093
321.094940185547, 23.011003 321.097412109375, 39.916444 321.099853515625, 50.227696
321.102325439453, 37.324256 321.104797363281, 20.80961 321.107238769531, 6.753728
321.109710693359, 2.125556 321.112396240234, 0 322.084197998047, 0 322.086669921875, 0.173526
322.089141845703, 5.644409 322.091613769531, 12.330298 322.094085693359, 16.579309
322.096557617188, 19.994462 322.099029541016, 61.842722 322.101501464844, 218.446755
322.103973388672, 452.844954 322.1064453125, 702.78554 322.108917236328, 709.60598
322.111389160156, 462.197685 322.113861083984, 228.865099 322.116333007812, 68.493181
322.118804931641, 21.884565 322.121276855469, 13.583298 322.123748779297, 6.156207
322.126220703125, 0.049111 322.128814697266, 0 323.087860107422, 19.593377
323.088012695313, 0 323.09033203125, 0 323.092864990234, 0 323.095367431641, 15.815371
323.097839355469, 67.250603 323.100341796875, 189.885497 323.102813720703, 226.031923
323.105285644531, 442.927694 323.107788085938, 1422.303867 323.110260009766, 4317.002487
323.112731933594, 7516.081238 323.115234375, 10000 323.117706298828, 8039.189148
323.120208740234, 4769.124603 323.122680664062, 1718.574524 323.125152587891, 466.795015
323.127655029297, 143.209517 323.130126953125, 109.264612 323.132629394531, 24.097067
323.135101318359, 20.606217 323.137573242188, 0 324.091064453125, 0 324.091094970703, 5.936444
324.093597412109, 0 324.096099853516, 0 324.098602294922, 1.756183 324.101104736328, 9.125986
324.103576660156, 28.37826 324.106079101562, 34.360749 324.108581542969, 74.646765
324.111083984375, 259.247065 324.113555908203, 808.502197 324.116058349609, 1429.244995
324.118560791016, 1938.37738 324.121063232422, 1599.30191 324.123565673828, 959.121227
324.126037597656, 366.928101 324.128540039063, 104.081166 324.131042480469, 32.672653
324.133544921875, 21.785934 324.136016845703, 1.739008 324.138519287109, 0
338.125183105469, 0 338.127838134766, 2.516278 338.130493164063, 4.340337
338.133148193359, 7.821949 338.135803222656, 10.213638 338.138458251953, 8.528785
338.14111328125, 5.090497 338.143768310547, 2.657374 338.146301269531, 0
342.691192626953, 0 342.693908691406, 3.094865 342.696624755859, 4.678135
342.699340820313, 5.085138 342.702026367188, 3.896707 342.704742431641, 1.975338
342.707458496094, 0 
##END=$$ End of the data block
