##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=31831.830078
##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=347
##FIRSTX=207.84010315
##LASTX=791.90979004
##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)
207.840100914718, 0 207.841382820291, 38.348496 207.842664737723, 52.652347
207.843946667015, 56.486499 207.845228608167, 46.32293 207.846510561179, 28.431991
207.847820969538, 0 217.501796230835, 0 217.503168553492, 28.912804 217.504540889137, 47.861516
217.505913237771, 58.042967 217.507285599393, 54.343921 217.508657974003, 39.414826
217.510030081165, 0 218.2654363891, 0 218.266815945364, 33.744708 218.268195514707, 51.194048
218.269575097129, 56.489289 218.270954692631, 46.487075 218.272334301213, 28.137389
218.273713396533, 0 219.697519556126, 0 219.698912711973, 34.057578 219.700305881072, 48.26321
219.701699063422, 53.356022 219.703092259025, 47.323161 219.70448546788, 33.779866
219.705877409491, 0 223.182298617581, 0 223.183725051333, 39.571896 223.18515149876, 54.131055
223.186577959862, 56.310123 223.18800443464, 45.938018 223.189430923093, 29.186162
223.190855877008, 0 227.394760763261, 0 227.396227771952, 36.164555 227.39769479484, 56.161833
227.399161831924, 63.375759 227.400628883205, 54.807329 227.402095948683, 37.760067
227.403595746986, 0 238.513307933405, 0 238.514883841464, 30.788571 238.516459765141, 47.442847
238.518035704437, 56.651151 238.519611659352, 52.129549 238.521187629886, 35.468239
238.52276333661, 0 239.823526509219, 0 239.825115420453, 30.480787 239.826704347477, 49.927571
239.828293290293, 64.76422 239.8298822489, 64.674276 239.831471223298, 49.43679
239.833060213487, 27.861857 239.834725754086, 0 262.630500968394, 0 262.632321841134, 36.67641
262.63414273281, 53.22876 262.635963643423, 61.861795 262.637784572973, 56.652749
262.639605521461, 39.692074 262.641452798082, 0 276.511843375986, 0 276.513810503231, 41.912711
276.515777651468, 61.027265 276.517744820697, 68.014354 276.519712010918, 57.50702
276.521679222131, 35.261673 276.523680253186, 0 307.680837771892, 0 307.68314671154, 30.497032
307.685455677178, 48.518345 307.687764668808, 56.081235 307.690073686429, 47.770816
307.692382730042, 29.109168 307.694691904559, 0 308.05753847099, 0 308.059851652274, 37.901825
308.062164859613, 54.07443 308.064478093007, 65.425032 308.066791352456, 62.633771
308.06910463796, 44.961822 308.071453926337, 0 329.049427317759, 0 329.051980922255, 34.941265
329.054534556477, 58.643383 329.057088220426, 69.741893 329.059641914102, 59.081298
329.062195637506, 33.84665 329.064751627376, 0 335.101960143817, 0 335.104584527926, 32.743439
335.107208942864, 50.678295 335.109833388632, 58.930242 335.112457865231, 52.543139
335.115082372661, 36.139035 335.117744973408, 0 350.459137506218, 0 350.461944348579, 31.247184
350.46475122466, 55.083257 350.467558134462, 71.400988 350.470365077986, 69.992775
350.473172055231, 52.254248 350.475979066199, 31.053737 350.478832630961, 0
375.322282155968, 0 375.325392930157, 35.461849 375.328503743021, 56.429863
375.33161459456, 62.082803 375.334725484774, 49.860165 375.337836413666, 30.269891
375.339100126583, 0 383.277646665699, 0 383.280856889977, 0.594395 383.284067154586, 56.24873
383.287277459527, 152.130497 383.290487804802, 257.611489 383.293698190411, 285.85434
383.296908616354, 196.154737 383.300119082633, 102.442086 383.303329589247, 32.004461
383.308392369976, 0 384.286271848471, 0 384.289494729686, 42.017755 384.292717651445, 91.425753
384.295940613749, 146.981919 384.299163616598, 151.284564 384.302386659993, 90.465909
384.305609743935, 32.771176 384.308834982527, 0 388.094766297813, 0 388.098037208498, 41.055885
388.101308160535, 65.181673 388.104579153924, 77.813148 388.107850188666, 70.329207
388.111121264762, 47.804511 388.114392578314, 0 388.448263920134, 0 388.451539300828, 31.865594
388.454814722949, 51.386136 388.458090186498, 61.06512 388.461365691475, 51.997328
388.464641237881, 28.682503 388.467959234888, 0 397.262115694148, 0 397.26550318165, 46.850583
397.26889071248, 72.824878 397.27227828664, 101.477277 397.275665904129, 67.766482
397.279053564948, 36.790535 397.28244389019, 0 401.296574580407, 0 401.300013802063, 47.571364
401.303453067933, 71.307772 401.306892378015, 78.535271 401.310331732312, 64.513969
401.313771130824, 39.118138 401.317275934178, 0 437.452777659521, 0 437.456692001873, 33.348167
437.460606396764, 52.899653 437.464520844195, 66.292834 437.468435344167, 66.221476
437.47234989668, 52.207428 437.476264501736, 30.955449 437.480182557324, 0
442.013078194688, 0 442.017053904998, 37.092504 442.021029668949, 55.022383
442.025005486541, 63.32373 442.028981357774, 54.622698 442.03295728265, 33.894297
442.036941692346, 0 453.321686319048, 0 453.325815575261, 25.843081 453.329944887893, 70.083636
453.334074256946, 113.117504 453.33820368242, 106.432021 453.342333164317, 51.101226
453.346462702638, 18.630949 453.350651538464, 0 471.328299336062, 0 471.332677049729, 12.727268
471.337054824386, 76.251638 471.341432660034, 156.920087 471.345810556677, 233.313131
471.350188514313, 213.040423 471.354566532945, 132.16126 471.358944612573, 57.150024
471.363322753199, 11.783524 471.367750893592, 0 489.3208480293, 0 489.325478793462, 2.100758
489.33010962336, 104.573417 489.334740518995, 164.666975 489.339371480369, 529.406357
489.344002507484, 1871.11187 489.348633600339, 4922.44339 489.353264758937, 8224.740601
489.357895983279, 10000 489.362527273366, 7383.148193 489.367158629199, 4173.207474
489.37179005078, 1328.971958 489.376421538109, 375.926733 489.381053091189, 173.925674
489.385684710019, 146.92241 489.390316394602, 37.874496 489.395163182199, 0
490.332126636056, 0 490.33677176021, 39.393598 490.341416950373, 89.593351
490.346062206545, 311.816978 490.350707528727, 1002.948952 490.355352916922, 1847.972679
490.35999837113, 2615.284348 490.364643891352, 2269.096375 490.36928947759, 1382.591343
490.373935129845, 563.087511 490.378580848118, 157.276368 490.383226632411, 57.352835
490.387872482725, 46.683422 490.392275948, 0 498.063304359556, 0 498.068059780583, 27.359822
498.072815269716, 52.579123 498.077570826956, 68.618578 498.082326452305, 65.005708
498.087082145764, 45.265481 498.091921393681, 0 534.373872864669, 0 534.379157682442, 50.295609
534.384442578614, 64.548475 534.389727553186, 67.666519 534.39501260616, 56.854498
534.400297737537, 36.915562 534.405600927665, 0 578.876729928673, 0 578.882688490876, 42.477721
578.88864714508, 57.889354 578.894605891287, 63.617384 578.900564729498, 56.59799
578.906523659715, 39.220357 578.912489069533, 0 585.972357531488, 0 585.978425985319, 45.482156
585.98449453342, 65.540832 585.990563175792, 71.358454 585.996631912439, 59.679407
586.002700743361, 38.559911 586.008769027811, 0 611.596999890062, 0 611.603470727201, 35.985029
611.609941667035, 57.589376 611.616412709566, 73.478949 611.622883854797, 75.123864
611.629355102729, 62.198603 611.635826453365, 42.214921 611.64277323908, 0
621.360776503491, 0 621.367402904852, 35.282952 621.374029412212, 119.162214
621.380656025575, 393.543649 621.387282744942, 1008.131695 621.393909570317, 1677.118492
621.4005365017, 2036.006927 621.407163539094, 1503.93858 621.413790682502, 850.012875
621.420417931926, 261.70218 621.427045287368, 53.653318 621.43367274883, 8.196201
621.439752043543, 0 622.368658991943, 0 622.375301531282, 20.737326 622.381944176965, 75.38774
622.388586928995, 264.444065 622.395229787373, 491.976023 622.401872752103, 690.964603
622.408515823186, 583.75411 622.415159000625, 344.710612 622.421802284422, 129.54843
622.428445674579, 30.959269 622.435175281562, 0 626.883481036617, 0 626.890195985757, 25.62378
626.896911042789, 51.898903 626.903626207717, 73.094678 626.910341480542, 77.755445
626.917056861267, 46.30034 626.923772396169, 0 626.943919509485, 0 626.950635429743, 51.536882
626.957351457915, 64.160901 626.964067594003, 66.072184 626.970783838009, 53.89446
626.977500189935, 33.475485 626.984235635785, 0 648.97889920175, 0 648.985972279118, 37.003005
648.993045472118, 56.551796 649.000118780754, 64.52719 649.007192205027, 56.625938
649.014265744941, 37.680081 649.021351809031, 0 663.381546537943, 0 663.388856374374, 33.138359
663.396166331626, 54.261404 663.403476409704, 65.606308 663.410786608609, 55.550301
663.418096928344, 29.312879 663.425394940644, 0 676.986091200551, 0 676.993627050717, 52.241808
677.001163026711, 65.933043 677.008699128536, 66.409135 677.016235356195, 54.139829
677.023771709691, 36.279219 677.031311642255, 0 681.165097827786, 0 681.172703563431, 42.543602
681.180309426461, 63.321418 681.187915416881, 70.120561 681.195521534694, 57.445121
681.203127779902, 34.464151 681.2107936426, 0 783.407853890567, 0 783.417234796586, 26.93578
783.426615871104, 61.355489 783.435997114124, 81.097484 783.44537852565, 63.602287
783.454760105687, 46.903992 783.464142109769, 0 783.726899502488, 0 783.736286139717, 30.121976
783.745672945581, 52.997184 783.755059920085, 68.517351 783.764447063232, 65.388608
783.773834375027, 46.45865 783.78322830628, 0 791.852599410836, 0 791.862132407525, 33.469093
791.871665576365, 56.617779 791.881198917359, 69.368303 791.890732430513, 63.14885
791.900266115829, 42.405555 791.909799973313, 0 
##END=$$ End of the data block
