##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=18260792.000000
##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
$$ =====================================================
##$ACD DATA TYPE=c
##$MS_FRAGMENTS=ACDTABLE(Fragment,Formula,Label,mzCalc,mzExp,TICCalc,TICExp,RICalc,AQI,RDBE)

$$ =====================================================
$$ End of Advanced Chemistry Development specific data
$$ =====================================================
##NPOINTS=166
##FIRSTX=171.07264709
##LASTX=595.03869629
##MAXX=10000.00000000
##MINX=0.91980344
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=3.32030988
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
171.072647094727, 3.32031 172.086547851562, 2.818574 173.045272827148, 5.391352
174.066543579102, 42.567012 178.043533325195, 2.063363 178.959365844727, 4.203653
183.071502685547, 2.272186 183.766891479492, 6.006033 185.069488525391, 7.330241
186.91943359375, 5.029221 188.168304443359, 10.657163 188.895355224609, 3.651167
191.283935546875, 3.519051 193.093414306641, 11.559859 194.046951293945, 1.171398
196.075805664062, 8.298506 198.130889892578, 12.095468 199.066787719727, 120.516145
200.306686401367, 26.908526 200.946838378906, 72.330183 202.068283081055, 4.74215
206.118347167969, 8.390429 210.138610839844, 2.428543 213.100280761719, 15.513827
214.056701660156, 5.067397 214.996063232422, 73.847717 216.102966308594, 10.102477
217.042419433594, 14.886056 223.226089477539, 3.82036 224.047576904297, 31.30582
225.128692626953, 6.574702 226.365509033203, 10.039485 226.991149902344, 74.778056
229.016052246094, 15.6501 230.025817871094, 11.761679 233.117889404297, 30.365595
234.023498535156, 6.602528 238.274139404297, 4.920317 239.131591796875, 19.734077
240.138305664063, 43.496841 241.098266601562, 33.468646 242.049621582031, 190.958631
243.170715332031, 7.003088 244.064880371094, 4.484238 249.020812988281, 2.011504
251.148681640625, 14.691865 252.064010620117, 7.543088 255.124435424805, 8.564187
257.039520263672, 139.469266 258.163909912109, 91.047305 258.970825195312, 15.99672
260.003784179687, 1.952224 264.206726074219, 1.767407 265.153686523438, 11.731529
266.124786376953, 7.643759 267.172424316406, 11.037417 268.035705566406, 40.239584
269.1708984375, 9.194994 271.278198242188, 1.798641 275.160552978516, 3.498079
278.242065429687, 4.985875 279.058959960937, 1.520284 282.133392333984, 32.424194
283.056945800781, 139.644098 284.079223632813, 7.383662 284.985656738281, 16.466193
286.04345703125, 315.250516 287.079711914062, 32.295409 287.858520507812, 0.919803
289.313720703125, 4.125011 292.105133056641, 9.884515 296.100708007812, 4.118916
297.15771484375, 31.665716 298.310699462891, 3.693867 299.164306640625, 9.509321
301.118286132812, 10000 302.751647949219, 24.471165 306.089477539062, 10.291998
307.100219726562, 36.204946 308.065795898438, 13.700357 310.083557128906, 73.203164
311.095733642578, 4.866958 313.173706054687, 5.839642 315.098999023438, 185.680389
315.781921386719, 4.891139 321.279968261719, 2.506076 322.463104248047, 8.573567
325.092834472656, 875.156403 326.29296875, 14.333917 327.198120117188, 7.882322
328.245483398438, 10.91384 329.163604736328, 9.28763 331.054473876953, 1.587483
337.156097412109, 31.441548 339.105346679687, 19.273797 340.049377441406, 12.73337
341.131469726562, 60.079348 343.087738037109, 1527.656364 344.170104980469, 48.004547
345.227691650391, 14.922816 349.137573242187, 8.184562 352.14794921875, 12.503463
352.992492675781, 9.945074 353.623687744141, 6.604352 355.113616943359, 187.089658
355.983154296875, 4.003215 357.274475097656, 4.352184 367.161590576172, 212.099886
367.974670410156, 8.861011 369.153015136719, 3.575151 369.994384765625, 5.956746
373.129791259766, 84.423721 385.091064453125, 162.866378 386.193786621094, 16.175166
387.242950439453, 6.164684 393.187744140625, 2.511319 397.234680175781, 38.310409
401.268280029297, 3.546692 403.111083984375, 434.685993 404.27197265625, 10.627525
408.23583984375, 3.860002 409.072204589844, 22.554411 411.194641113281, 9.09102
413.128784179688, 2.062709 415.288330078125, 7.967669 427.233459472656, 45.662987
429.170715332031, 157.963169 430.143798828125, 15.045634 434.39599609375, 1.842223
444.27490234375, 7.826275 445.190002441406, 117.178452 446.137878417969, 9.511555
447.147033691406, 371.616173 459.253356933594, 12.897575 463.100708007812, 114.640987
464.153137207031, 26.421887 471.189575195313, 29.172817 473.306762695313, 16.997215
475.9677734375, 1.512603 485.193054199219, 6.662484 487.208068847656, 7.246883
489.132019042969, 1837.277222 489.860534667969, 126.284266 490.95556640625, 3.497096
501.165710449219, 7.070386 502.578063964844, 1.512253 513.131958007812, 8.087854
514.097473144531, 7.692529 523.38134765625, 15.784815 531.230773925781, 15.036285
532.812927246094, 1.902336 541.322509765625, 18.072349 542.360473632812, 5.527852
547.293579101562, 2.491087 549.332946777344, 4.767814 550.194519042969, 4.204541
565.3310546875, 28.195024 567.3642578125, 6.30881 573.141052246094, 6.536854
576.256591796875, 4.127401 577.2626953125, 9.045427 581.236083984375, 1.889725
591.224548339844, 140.246511 592.390563964844, 8.19205 594.231384277344, 83.405012
595.038696289063, 2.465114 
##END=$$ End of the data block
