##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=26788.804688
##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=172
##FIRSTX=136.94070435
##LASTX=418.41424561
##MAXX=10000.00000000
##MINX=9.81116867
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=24.83135414
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
136.940704345703, 24.831355 140.133865356445, 41.554067 144.938354492188, 16.24987
157.013229370117, 70.897031 159.01921081543, 14.844969 161.061477661133, 18.844876
166.089721679687, 12.437196 168.015274047852, 97.378057 173.080017089844, 70.766568
177.107696533203, 83.07659 177.963851928711, 25.219968 181.030426025391, 231.062746
183.0751953125, 459.032965 184.123489379883, 40.332845 188.993133544922, 81.498682
195.199417114258, 122.763407 196.973709106445, 42.053205 201.096405029297, 26.069137
203.063171386719, 43.782929 204.316101074219, 53.59509 205.021026611328, 88.354307
207.193634033203, 12.368567 209.063323974609, 298.113489 211.036819458008, 20.034431
215.026306152344, 14.422953 216.089294433594, 22.199942 217.123077392578, 229.309607
218.062103271484, 69.007546 219.104553222656, 37.372604 220.098419189453, 22.401181
221.167907714844, 40.825 225.194076538086, 21.235414 227.224411010742, 21.219949
230.048736572266, 27.206942 231.317718505859, 81.358427 232.127410888672, 23.861465
232.998870849609, 55.848455 235.133148193359, 1424.291039 235.930084228516, 17.541312
237.258270263672, 21.461956 239.225433349609, 29.16666 243.2744140625, 23.142576
245.184661865234, 13.509545 246.18212890625, 14.716382 247.129852294922, 534.666824
248.142395019531, 321.402264 249.112152099609, 588.613701 253.131622314453, 37.379506
257.189514160156, 61.521083 259.089111328125, 19.394198 261.217102050781, 60.755205
262.164031982422, 15.268926 263.163787841797, 357.168889 264.051544189453, 25.027469
264.81787109375, 47.018102 267.844970703125, 22.13508 269.132720947266, 19.816752
270.155822753906, 91.610509 272.355499267578, 26.643756 273.428588867188, 9.811169
275.046936035156, 28.806984 277.082763671875, 18.168038 278.622741699219, 85.501504
279.257263183594, 118.56302 281.012542724609, 290.847135 282.063598632813, 95.599014
283.27978515625, 15.119234 285.190216064453, 14.65943 287.037536621094, 86.379504
289.062622070313, 119.17901 290.041931152344, 43.547925 290.939392089844, 40.617216
292.114929199219, 35.688615 293.178100585938, 82.386458 295.415802001953, 27.08225
296.111175537109, 112.643158 297.158813476562, 254.523778 298.363311767578, 15.796095
299.295623779297, 179.881513 300.375244140625, 56.169993 301.113830566406, 1455.659294
301.958404541016, 115.760183 303.050476074219, 199.461627 305.224304199219, 98.547357
306.079986572266, 51.147497 307.066345214844, 222.499776 308.191192626953, 14.684787
309.156890869141, 135.80451 310.142150878906, 80.994487 311.167510986328, 280.416512
312.184844970703, 104.617345 313.121704101562, 406.323433 315.088806152344, 120.385015
316.231872558594, 28.527176 317.671661376953, 132.268906 319.218353271484, 56.211561
321.097717285156, 973.447323 322.120391845703, 288.161349 323.064514160156, 58.112693
325.122955322266, 245.599842 326.106414794922, 39.165795 327.112640380859, 814.582062
328.279998779297, 279.823089 329.09912109375, 629.844666 330.036956787109, 135.656452
331.215270996094, 379.14114 332.192443847656, 227.088189 333.11376953125, 144.471943
335.207061767578, 199.074984 336.094055175781, 57.582909 337.000213623047, 79.111099
338.082427978516, 14.780805 339.045928955078, 84.663224 340.243255615234, 27.477181
341.119415283203, 938.929176 342.157653808594, 1715.797424 343.191467285156, 1634.941483
344.326965332031, 81.519455 345.066558837891, 1295.774746 346.215179443359, 289.521885
347.14453125, 896.371174 348.123870849609, 126.180148 349.044799804687, 319.352412
349.989471435547, 174.936676 351.197814941406, 53.694785 352.179229736328, 225.339961
353.145965576172, 2370.948219 354.099090576172, 1379.286575 355.237945556641, 207.382846
356.223999023438, 154.50145 357.172546386719, 1103.009987 358.203399658203, 815.712261
359.087829589844, 357.00388 360.157287597656, 401.749468 361.111053466797, 769.804811
362.689605712891, 23.819372 363.430480957031, 17.309681 367.214447021484, 426.809549
368.25390625, 569.510794 369.246032714844, 524.382591 370.383728027344, 238.320088
371.084411621094, 564.088821 371.85205078125, 320.318151 373.209777832031, 5968.437576
374.166198730469, 240.687084 375.198272705078, 2013.232613 376.195465087891, 191.211045
377.045501708984, 12.686267 379.21435546875, 28.027886 379.966064453125, 90.014154
381.109832763672, 544.991159 383.334838867188, 69.94049 384.203308105469, 796.281195
385.187103271484, 8142.385864 386.211975097656, 10000 387.231536865234, 701.245308
388.304382324219, 120.486879 389.184295654297, 1284.506512 390.275939941406, 10.647213
391.802825927734, 18.049276 394.149627685547, 34.150237 396.196380615234, 44.753215
397.296508789062, 77.099556 399.181823730469, 9366.268921 400.223083496094, 517.503405
401.228698730469, 1300.619602 402.148895263672, 1420.716476 402.855529785156, 49.704564
413.257690429687, 19.889104 416.467956542969, 81.787241 417.5625, 108.414698
418.414245605469, 12.244804 
##END=$$ End of the data block
