##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=2605111.750000
##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=86
##FIRSTX=113.27163696
##LASTX=378.22546387
##MAXX=10000.00000000
##MINX=0.93114173
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=1.85217464
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
113.271636962891, 1.852175 119.127471923828, 1.979364 121.182228088379, 1.940555
124.004531860352, 1.791827 125.358947753906, 1.28803 141.15478515625, 1.441036
147.100814819336, 1.89373 148.15673828125, 2.255932 160.114776611328, 1.638135
162.188354492187, 7.770953 163.189788818359, 1.740155 169.154052734375, 3.114486
174.267242431641, 7.515406 175.067016601562, 813.484573 176.078552246094, 360.642886
177.045135498047, 2.081718 185.059967041016, 3.776505 186.155624389648, 8.449929
187.731506347656, 3.823804 190.140289306641, 5.713257 193.043640136719, 2.273079
195.178298950195, 6.853892 200.049346923828, 4.258728 200.997940063477, 1.016106
203.005767822266, 4.156906 205.190811157227, 6.238184 209.157165527344, 1.950029
211.272338867187, 1.824025 214.115783691406, 1.42951 215.108154296875, 2.490864
219.269836425781, 4.696387 220.901977539062, 2.886674 223.990234375, 1682.660675
224.964538574219, 10000 225.585174560547, 515.006208 227.031311035156, 3.301337
228.198760986328, 3.501125 229.446350097656, 2.10007 230.050140380859, 1.241994
230.925842285156, 0.951056 236.979400634766, 649.923038 238.067047119141, 4.840438
239.250701904297, 2.066634 240.324249267578, 1.740036 243.034942626953, 1.563286
247.223266601562, 2.965651 251.098937988281, 4.004712 256.380859375, 2.092098
257.197875976563, 1.481736 258.2734375, 0.931142 260.505218505859, 1.2702
263.112701416016, 3.348432 265.187133789063, 4.738051 266.116821289062, 2.588978
267.025451660156, 1.228868 275.175842285156, 2.860867 277.200653076172, 7.573587
278.139221191406, 11.965728 279.104400634766, 4.983003 281.186157226562, 2.874979
284.067993164062, 3.049496 289.201873779297, 1.453208 291.098815917969, 21.03678
293.050262451172, 322.472501 293.949127197266, 5.3594 306.819549560547, 8.847096
308.149932861328, 15.275289 310.012481689453, 3.426084 316.379333496094, 17.053726
317.208526611328, 26.254904 319.134185791016, 3.45806 329.439483642578, 2.805849
330.228637695313, 3.577059 331.163848876953, 1.658747 332.19287109375, 1.626407
333.130554199219, 2.443168 341.274108886719, 1.424994 347.914001464844, 7.833398
349.365539550781, 2.112541 350.220306396484, 8.859206 359.156219482422, 740.854597
360.156402587891, 23.423424 362.182281494141, 4.681267 368.261047363281, 7.067825
377.213226318359, 4.177291 378.225463867188, 5.37317 
##END=$$ End of the data block
