##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=6768.458008
##DATA TYPE=MASS SPECTRUM
##DATA CLASS=PEAK TABLE
##ORIGIN=
##OWNER=
##.IONIZATION MODE=APCI-
##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=63
##FIRSTX=179.06863403
##LASTX=275.16967773
##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)
179.068641584827, 0 179.069154164486, 51.957899 179.069666746346, 1049.345684
179.070179330406, 4005.051804 179.070691916668, 7261.306763 179.071204505131, 10000
179.071717095794, 8412.66098 179.072229688659, 5174.124908 179.072742283724, 2273.720169
179.07325488099, 900.378609 179.073767480458, 384.029102 179.074280082126, 116.188407
179.074792685995, 0 180.072274257263, 0 180.072791152668, 27.48358 180.073308050297, 175.491273
180.073824950153, 380.891013 180.074341852234, 589.897346 180.074858756541, 586.872053
180.075375663074, 391.498232 180.075892571832, 205.626774 180.076409482816, 77.991027
180.076926396025, 18.602343 180.077769522355, 0 193.084162336282, 0 193.084736256855, 9.77994
193.085310179986, 140.728116 193.085884105677, 414.835215 193.086458033926, 709.551144
193.087031964735, 832.813358 193.087605898102, 591.904259 193.088179834028, 320.578885
193.088753772513, 114.350545 193.089327713557, 52.486098 193.090143181293, 0
231.965063226087, 0 231.965818951983, 75.946069 231.966574681572, 185.356379
231.967330414854, 308.204627 231.96808615183, 345.722127 231.968841892499, 240.109706
231.969597636861, 125.720119 231.970353384916, 36.519718 231.971108934189, 0
252.987444217994, 0 252.988304971321, 38.642129 252.989165729041, 151.423717
252.990026491155, 274.33517 252.990887257661, 367.5915 252.99174802856, 311.591196
252.992608803852, 192.176604 252.993469583537, 83.363098 252.994330367616, 18.901286
252.994856927818, 0 275.161884479541, 0 275.162860845076, 72.122008 275.163837215808, 207.000613
275.164813591736, 361.249948 275.165789972861, 450.466204 275.166766359183, 331.948662
275.167742750702, 181.430483 275.168719147417, 51.859736 275.169675074101, 0
##END=$$ End of the data block
