##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=17365.556641
##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=71
##FIRSTX=89.12200928
##LASTX=355.21337891
##MAXX=10000.00000000
##MINX=25.64543533
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=26.61839676
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
89.122009277344, 26.618397 101.013168334961, 119.661021 102.937850952148, 25.645435
105.92155456543, 64.513129 107.075172424316, 105.901003 111.084411621094, 60.435164
112.983688354492, 817.330074 114.92658996582, 59.013635 119.025024414063, 1667.474174
121.053092956543, 115.018868 121.702102661133, 33.85953 124.931335449219, 125.720775
131.019439697266, 315.507412 133.957550048828, 96.550131 135.042922973633, 152.654707
138.934722900391, 33.046693 141.063705444336, 78.376573 142.963638305664, 1266.354942
145.136535644531, 152.288699 146.212020874023, 40.992096 147.029342651367, 368.201017
148.963714599609, 10000 149.626007080078, 38.217139 158.965850830078, 75.282216
161.003662109375, 1259.244347 161.644104003906, 205.786014 163.079498291016, 284.914398
165.186309814453, 207.634664 173.083526611328, 255.525398 175.071014404297, 237.163162
177.132919311523, 490.310049 178.935729980469, 3056.467247 187.045516967773, 86.993903
189.068252563477, 633.216906 190.960830688477, 1230.962658 192.045669555664, 31.849945
192.980590820312, 2130.813217 203.073394775391, 596.520853 207.175369262695, 132.443953
210.031951904297, 26.644778 215.054107666016, 188.977444 217.288055419922, 37.51967
220.337310791016, 26.444507 221.083984375, 597.693586 233.183288574219, 633.473682
235.071258544922, 653.872108 244.0322265625, 45.304498 247.089813232422, 521.250916
249.177856445313, 69.560683 250.903350830078, 144.779766 251.796081542969, 43.139321
263.236480712891, 53.63254 265.097229003906, 346.498203 267.238616943359, 103.489709
277.054107666016, 300.081968 284.185180664062, 76.814711 293.073516845703, 151.489401
295.101013183594, 159.270692 299.012512207031, 96.311998 301.11279296875, 54.678917
310.074432373047, 83.204865 311.145721435547, 570.385265 313.100952148438, 35.330826
323.140686035156, 33.090964 324.139556884766, 91.629493 325.205596923828, 30.269629
327.427947998047, 85.062128 329.241912841797, 80.670023 336.671722412109, 107.526302
337.279266357422, 37.307394 355.21337890625, 40.187219 
##END=$$ End of the data block
