##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=421108.000000
##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=332
##FIRSTX=108.08362579
##LASTX=428.98022461
##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)
108.083622609356, 0 108.084103175496, 11.527277 108.08458374484, 16.690873
108.085064317389, 18.131404 108.085544893144, 14.976938 108.086025472103, 9.661497
108.086510368533, 0 109.774617143022, 0 109.77510903103, 6.891774 109.775600922345, 13.606828
109.776092816966, 18.419027 109.776584714893, 18.090712 109.777076616126, 13.100676
109.777643904301, 0 139.036257951448, 0 139.036959092832, 6.983744 139.03766023952, 23.484024
139.038361391512, 41.9622 139.039062548807, 48.313946 139.039763711407, 33.001316
139.04046487931, 16.84622 139.041166052517, 8.633063 139.041872455864, 0
141.051957380297, 0 141.052673824185, 13.825408 141.053390273531, 17.994069
141.054106728335, 22.482464 141.054823188599, 19.446181 141.055539654321, 12.329612
141.056266469789, 0 151.072611374134, 0 151.073405505273, 8.614958 151.074199642674, 14.552075
151.074993786336, 17.615251 151.075787936261, 16.214336 151.076582092447, 11.50789
151.077389733869, 0 159.818536619626, 0 159.819400700554, 7.86089 159.820264788491, 14.354047
159.821128883436, 17.430812 159.821992985388, 15.384807 159.822857094348, 10.229828
159.823725576065, 0 161.610005775219, 0 161.61088442554, 12.605293 161.611763083027, 17.943391
161.61264174768, 19.303219 161.613520419499, 15.972194 161.614399098483, 10.233366
161.615281038238, 0 166.495248806191, 0 166.496167596755, 9.229206 166.497086394924, 14.588638
166.498005200699, 16.942115 166.49892401408, 14.536154 166.499842835066, 8.926235
166.500763028307, 0 167.066363054393, 0 167.067286576486, 6.497291 167.068210106236, 15.148413
167.069133643644, 26.586545 167.07005718871, 36.135283 167.070980741434, 28.77506
167.071904301816, 15.512112 167.072827869857, 9.789914 167.073766039496, 0
177.051167091568, 0 177.052174630948, 17.928274 177.053182178929, 40.588093
177.05418973551, 60.476094 177.055197300691, 51.243979 177.056204874474, 30.205455
177.057212456857, 12.739681 177.058229454752, 0 181.082377507434, 0 181.083419652406, 6.586339
181.084461806375, 18.608606 181.085503969341, 37.027702 181.086546141303, 38.539025
181.087588322263, 23.741314 181.088630512219, 10.589259 181.089516941592, 0
183.059578209456, 0 183.060637470793, 13.177086 183.061696741325, 66.523111
183.06275602105, 182.237256 183.06381530997, 307.749176 183.064874608084, 367.923188
183.065933915393, 265.505123 183.066993231896, 146.00848 183.068052557594, 46.130517
183.069111892487, 14.644611 183.070196664649, 0 195.059012494067, 0 195.060177594837, 28.310156
195.061342706046, 143.649054 195.062507827694, 384.004188 195.063672959782, 643.696022
195.064838102308, 770.340681 195.066003255274, 564.28566 195.067168418679, 319.780421
195.068333592524, 110.711455 195.069498776809, 38.421947 195.070663971534, 15.862882
195.071829176699, 3.820149 195.073070212729, 0 209.073623705888, 0 209.074916600756, 5.261899
209.076209507617, 34.333369 209.07750242647, 117.533135 209.078795357317, 215.800357
209.080088300157, 304.760456 209.081381254991, 265.017009 209.082674221818, 161.87923
209.083967200638, 68.531233 209.085260191453, 19.73173 209.086553194261, 3.888613
209.087874772262, 0 227.077521771492, 0 227.078985214342, 10.481266 227.080448671338, 77.235776
227.081912142482, 140.329516 227.083375627774, 142.369342 227.084839127213, 327.622652
227.0863026408, 1259.575081 227.087766168536, 4085.920715 227.089229710419, 7305.160522
227.090693266451, 10000 227.092156836632, 8310.00061 227.093620420962, 5001.903915
227.09508401944, 1945.421219 227.096547632068, 601.100445 227.098011258845, 255.418038
227.099474899772, 188.374937 227.100938554849, 36.027744 227.102402224075, 10.051956
227.10200633395, 0 228.089244312248, 0 228.090717545899, 12.896648 228.092190793825, 27.378225
228.093664056024, 41.794318 228.095137332497, 36.16845 228.096610623244, 19.419172
228.098083928265, 5.392131 228.099476299767, 0 233.041819838488, 0 233.043341315811, 12.72096
233.044862808035, 18.243197 233.046384315159, 19.500233 233.047905837184, 15.764463
233.049427374109, 9.515589 233.050960179164, 0 241.297381214136, 0 241.298984251449, 11.093629
241.300587304737, 17.219926 241.302190374, 20.215891 241.303793459238, 18.328682
241.305396560451, 1.892936 241.306910567459, 0 245.094213885931, 0 245.095854908563, 4.721554
245.097495947676, 17.860052 245.09913700327, 33.543491 245.100778075346, 44.679046
245.102419163903, 33.039927 245.104060268943, 16.260731 245.105701390465, 1.839253
245.107345205207, 0 247.831165612691, 0 247.83283419975, 10.807208 247.834502803661, 17.337656
247.836171424424, 21.800743 247.837840062038, 21.520944 247.839508716505, 16.824001
247.841177387823, 10.61433 247.843301057442, 0 251.083635841021, 0 251.085337378205, 13.263449
251.087038932686, 39.685795 251.088740504463, 75.095958 251.090442093537, 108.610964
251.092143699908, 97.475535 251.093845323577, 59.050947 251.095546964543, 23.631068
251.097248622808, 4.686119 251.098332101026, 0 269.092618746316, 0 269.094506599369, 10.312319
269.096394472289, 42.759824 269.098282365075, 89.407897 269.100170277729, 139.608502
269.102058210251, 138.938522 269.103946162641, 88.840646 269.105834134899, 42.430416
269.107722127025, 11.461905 269.109590993116, 0 288.670731739349, 0 288.67282932526, 13.083525
288.674926934034, 19.232841 288.67702456567, 22.09623 288.679122220171, 19.568963
288.681219897535, 12.84315 288.683317918556, 0 290.210189114121, 0 290.212303501787, 11.01018
290.21441791256, 15.882276 290.216532346441, 19.449936 290.21864680343, 20.216617
290.220761283527, 17.714384 290.222875786733, 12.580436 290.224876216814, 0
302.715624434354, 0 302.717876951876, 9.220167 302.720129494539, 15.646876
302.722382062345, 18.431932 302.724634655293, 14.744887 302.726887273383, 7.419463
302.72913828844, 0 311.895500435898, 0 311.897856188143, 9.872644 311.900211967078, 15.165548
311.902567772703, 19.477625 311.904923605018, 19.817828 311.907279464024, 15.544344
311.909635349721, 8.750327 311.911865661339, 0 321.223298935682, 0 321.225761155288, 11.447556
321.228223403204, 16.674694 321.230685679431, 18.726994 321.233147983968, 16.249976
321.235610316817, 10.561161 321.23806899659, 0 327.760065738005, 0 327.762603496582, 11.856354
327.765141284633, 17.262526 327.767679102158, 19.188583 327.770216949158, 16.084868
327.772754825633, 9.593079 327.775142797425, 0 352.334422322189, 0 352.337250776579, 14.519846
352.340079265029, 22.682077 352.342907787539, 29.392862 352.345736344109, 21.190943
352.34856493474, 13.884915 352.351235846503, 0 368.391159892319, 0 368.394183884494, 12.629957
368.397207913903, 18.449663 368.400231980548, 20.078512 368.403256084428, 16.776234
368.406280225544, 11.327066 368.411658300226, 0 371.121071259709, 0 371.124128898303, 14.369676
371.127186574685, 34.584633 371.130244288856, 64.600945 371.133302040815, 94.706064
371.136359830564, 87.037766 371.139417658104, 50.368559 371.142475523434, 16.654623
371.145533426556, 0 389.114921112295, 0 389.118203833966, 11.410682 389.121486597179, 19.388203
389.124769401934, 26.575834 389.128052248233, 35.218617 389.131335136074, 130.510783
389.13461806546, 478.444958 389.137901036391, 1022.051907 389.141184048868, 1607.257271
389.144467102891, 1668.846512 389.147750198462, 1107.138062 389.15103333558, 561.855364
389.154316514247, 171.295178 389.157599734462, 58.014476 389.160882996228, 39.254054
389.164166299545, 23.858692 389.167449644412, 2.212494 389.170937073015, 0
404.799031502332, 0 404.802514683771, 7.877517 404.805997910167, 18.948126
404.809481181523, 23.42436 404.812964497838, 18.527617 404.816447859112, 10.54658
404.819929614695, 0 406.136384343504, 0 406.139706897201, 12.804359 406.143207399486, 21.147771
406.146707947028, 40.082029 406.150208539826, 56.261998 406.153709177882, 64.186239
406.157209861197, 199.835384 406.160710589771, 727.139902 406.164211363605, 1548.228359
406.167712182699, 2431.382561 406.171213047056, 2492.659187 406.174713956674, 1631.664848
406.178214911556, 811.019707 406.181715911702, 241.387963 406.185216957113, 87.158513
406.188718047789, 67.898971 406.192219183731, 42.29086 406.19572036494, 17.849886
406.199221591417, 8.965728 406.202899486045, 0 407.139361169813, 0 407.142874601732, 2.399605
407.146388079129, 21.678756 407.149901602007, 47.474319 407.153415170365, 71.902388
407.156928784205, 62.043738 407.160442443527, 36.027089 407.163956148332, 13.656965
407.1674503164, 0 422.808202089538, 0 422.811920283574, 13.410302 422.815638526656, 26.982036
422.819356818787, 36.204156 422.823075159966, 26.235831 422.826793550195, 12.795401
422.830540963618, 0 428.957427614543, 0 428.96122721728, 11.483394 428.965026870501, 17.04911
428.968826574208, 19.360568 428.9726263284, 16.995543 428.976426133079, 11.658044
428.980225988246, 0 
##END=$$ End of the data block
