##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=24387.406250
##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=91
##FIRSTX=89.20130157
##LASTX=336.89102173
##MAXX=10000.00000000
##MINX=9.94885349
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=17.62212753
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
89.201301574707, 17.622128 98.988632202148, 14.513829 101.01392364502, 402.644634
105.234428405762, 43.82188 107.03759765625, 52.949911 112.926315307617, 930.6777
115.034545898438, 14.820205 118.351699829102, 113.853383 119.023345947266, 1120.832062
121.105430603027, 514.193249 124.965621948242, 129.628253 129.089019775391, 34.06091
131.033706665039, 458.032036 133.924224853516, 171.59456 135.035308837891, 76.134688
136.977951049805, 14.745225 142.996612548828, 989.793015 144.952239990234, 149.823487
147.031753540039, 175.689077 148.972930908203, 10000 149.668823242188, 34.781387
159.106735229492, 71.765918 160.937713623047, 956.386662 163.084564208984, 473.015261
165.070190429687, 136.145449 167.08171081543, 29.084578 171.093994140625, 76.577568
173.040710449219, 380.249166 175.152893066406, 68.626183 176.944946289062, 247.965598
178.000549316406, 20.458181 178.997863769531, 3922.071457 180.939361572266, 20.606592
186.060272216797, 41.203445 187.260284423828, 116.35561 189.033309936523, 301.82972
189.73014831543, 9.948853 191.028228759766, 1168.575287 191.90007019043, 61.052465
193.008056640625, 1643.970871 194.015029907227, 86.274803 195.124816894531, 13.448688
198.006240844727, 44.852635 203.057159423828, 476.209593 205.276000976562, 90.703362
206.035491943359, 35.538524 207.079986572266, 118.787622 209.063537597656, 90.666747
213.190124511719, 25.320804 215.088104248047, 15.311433 217.053466796875, 27.059066
218.961669921875, 43.877044 220.905212402344, 568.291426 225.121368408203, 41.397515
229.0419921875, 58.294833 233.042205810547, 303.287721 235.000061035156, 1008.829784
246.967926025391, 199.469197 249.740386962891, 33.931291 251.191833496094, 310.262704
253.090484619141, 33.405057 256.331634521484, 26.383001 263.152008056641, 23.815802
265.097747802734, 509.371901 266.105377197266, 166.659641 274.184326171875, 21.487568
277.087310791016, 280.677223 279.117034912109, 38.684639 280.165313720703, 33.009365
281.016204833984, 110.441768 283.034698486328, 53.226584 284.078918457031, 130.810535
285.063568115234, 45.904872 287.068420410156, 26.732221 289.119506835937, 54.462087
293.085235595703, 243.188167 295.126770019531, 321.978402 298.891265869141, 144.595158
307.006042480469, 125.098944 309.110260009766, 137.330961 310.22607421875, 125.913632
311.146179199219, 846.353626 312.043243408203, 43.445909 314.595672607422, 56.838429
325.122222900391, 108.999884 326.104309082031, 113.546276 327.051422119141, 119.310665
328.159210205078, 59.067613 335.100372314453, 37.407956 336.113647460937, 47.139007
336.891021728516, 198.228657 
##END=$$ End of the data block
