##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=178227.062500
##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=140
##FIRSTX=134.99995422
##LASTX=457.76098633
##MAXX=10000.00000000
##MINX=6.15404701
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=71.44947815
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
134.999954223633, 71.449476 152.957565307617, 18.050852 159.186431884766, 95.625967
161.050842285156, 184.534788 165.094177246094, 206.327844 173.036712646484, 73.819876
175.985565185547, 20.990829 176.932235717773, 20.974879 178.794021606445, 42.757902
187.010025024414, 34.220141 188.225830078125, 24.970779 190.119384765625, 16.921499
191.138717651367, 38.308427 201.053833007813, 49.034578 202.011032104492, 12.21607
203.086730957031, 102.894223 204.434295654297, 34.832495 205.079147338867, 201.331425
207.067108154297, 47.103336 208.193511962891, 17.032555 211.065124511719, 31.360745
213.052612304688, 97.083414 214.984100341797, 1325.655365 216.063888549805, 59.99853
217.094207763672, 138.91722 218.055587768555, 92.600012 219.043060302734, 56.376576
219.976043701172, 23.422045 223.126281738281, 281.402922 225.158615112305, 39.34066
228.093383789062, 135.855412 229.103759765625, 316.344929 230.075042724609, 39.987069
230.989562988281, 804.488945 232.008270263672, 209.237218 233.164901733398, 184.251714
235.156356811523, 55.838519 239.274612426758, 38.752171 240.1875, 10.443319
241.107528686523, 123.940182 243.109100341797, 115.436971 244.223052978516, 88.902992
245.092712402344, 466.023731 246.076354980469, 230.838847 247.014343261719, 1311.845589
249.131042480469, 82.932889 250.126495361328, 13.522878 253.123077392578, 19.035171
254.071350097656, 42.379624 255.373596191406, 90.876353 256.089538574219, 45.17411
257.141479492187, 228.034115 258.150756835938, 79.493415 259.052856445313, 344.170785
259.698944091797, 28.163373 261.217803955078, 119.275188 263.014709472656, 138.553023
264.116241455078, 7.236332 265.116271972656, 50.895917 267.174621582031, 78.960174
269.088012695312, 125.269878 271.084075927734, 273.328471 272.169616699219, 665.797138
273.22607421875, 103.609693 275.098846435547, 511.240244 276.120666503906, 56.979203
277.090484619141, 76.11748 278.184265136719, 15.346247 283.013610839844, 65.932727
285.286163330078, 29.210383 286.402130126953, 263.610697 287.068115234375, 3062.498283
287.840545654297, 189.991331 289.126892089844, 8438.447571 290.284423828125, 137.908781
291.165496826172, 163.985431 297.204864501953, 86.067271 299.148101806641, 37.160468
299.992706298828, 28.367573 301.135955810547, 91.149503 303.259094238281, 203.675103
304.113891601562, 987.547588 305.090606689453, 9692.106628 305.691253662109, 1056.673622
307.069915771484, 391.247988 307.755432128906, 6.154047 309.249237060547, 40.269843
315.152221679687, 27.803117 316.073608398438, 25.049782 317.160217285156, 363.893867
318.003601074219, 44.612259 323.178802490234, 147.647655 325.409484863281, 67.493623
327.180877685547, 67.30423 329.152923583984, 61.664885 331.232025146484, 49.740073
331.986358642578, 55.252004 333.088562011719, 30.689889 335.176452636719, 8.732677
337.243041992188, 44.058198 341.193359375, 272.700906 344.956573486328, 51.434612
347.155242919922, 179.704213 355.299987792969, 21.103792 357.222229003906, 94.253761
359.232025146484, 532.632208 359.953216552734, 60.316825 363.166015625, 32.142717
377.210540771484, 77.256387 378.258941650391, 26.065558 383.247772216797, 13.468111
387.477966308594, 45.483243 389.178863525391, 63.345778 393.111877441406, 1673.539162
394.056091308594, 15.471651 394.840179443359, 49.939179 397.203918457031, 127.328753
398.907958984375, 262.21621 400.169219970703, 10.650438 401.101257324219, 15.173897
405.253143310547, 59.410632 407.502319335937, 60.375768 409.171997070313, 10000
410.268859863281, 333.670568 413.13232421875, 57.357162 417.169921875, 122.864795
417.843017578125, 29.29374 419.283996582031, 131.815517 421.04296875, 43.722752
423.207763671875, 72.408831 431.193572998047, 235.942411 434.327606201172, 44.488865
435.273406982422, 514.809561 436.034851074219, 47.833046 447.734527587891, 8.586921
449.192291259766, 3595.867538 450.264495849609, 63.82829 450.923614501953, 76.59446
452.146942138672, 1042.831135 457.760986328125, 128.548002 
##END=$$ End of the data block
