##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=36989888.000000
##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=163
##FIRSTX=136.99884033
##LASTX=452.19735718
##MAXX=10000.00000000
##MINX=0.36745086
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=1.30970311
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
136.998840332031, 1.309703 141.121643066406, 0.747206 145.059829711914, 1.536497
147.073944091797, 0.629366 148.766143798828, 0.590245 151.073852539062, 1.762914
151.943054199219, 0.420945 155.104766845703, 0.567139 159.063537597656, 8.175395
161.078186035156, 0.953427 163.048980712891, 1.700285 163.987243652344, 0.830773
165.242828369141, 0.910445 169.117370605469, 0.657696 174.099761962891, 1.355784
175.067901611328, 2.686627 176.027954101562, 0.420515 177.138366699219, 2.171404
179.16535949707, 2.77001 181.003753662109, 0.4507 182.110321044922, 1.632307
185.014556884766, 0.763468 187.152420043945, 1.744572 188.962448120117, 12.304183
191.014282226562, 8.162174 191.966857910156, 0.730959 193.097152709961, 1.278279
194.016204833984, 1.269611 195.147399902344, 1.120262 196.974365234375, 1.919138
198.203826904297, 0.507246 198.999557495117, 1.141304 201.084945678711, 2.237781
202.873519897461, 1.284761 205.084777832031, 2.804784 206.038024902344, 1.062382
207.021759033203, 6.392333 208.214721679688, 1.209635 210.002868652344, 1.03837
211.062759399414, 5.854145 212.2783203125, 3.12172 213.132659912109, 4.401685
215.130416870117, 2.188274 216.080261230469, 1.854116 217.027954101562, 5.516028
218.085479736328, 6.70819 219.061981201172, 26.466736 220.060577392578, 1.585687
220.978271484375, 15.085627 222.006271362305, 0.717307 223.094329833984, 7.725029
225.087295532227, 8.854651 228.209014892578, 2.950709 229.095428466797, 4.456515
230.998962402344, 5.704507 232.069091796875, 3.210072 233.023345947266, 16.245468
234.028137207031, 11.545017 235.031112670898, 190.092242 236.332763671875, 2.443872
237.142791748047, 2.283369 239.015426635742, 0.564938 240.130157470703, 1.092161
241.084655761719, 2.734366 242.080596923828, 2.027002 243.069763183594, 37.861335
244.164642333984, 2.71628 245.135833740234, 2.761011 246.322723388672, 1.496359
247.119171142578, 19.280714 247.980804443359, 2.013342 249.125091552734, 12.833428
251.056457519531, 45.370945 255.219421386719, 1.090317 256.100280761719, 1.625229
257.055969238281, 18.792862 258.100830078125, 1.847693 258.981079101562, 51.036513
260.085021972656, 1.815465 261.106811523437, 159.219122 262.260162353516, 2.800419
263.2158203125, 2.209068 265.123779296875, 1.332675 269.108856201172, 0.861887
271.219848632813, 6.189988 272.097564697266, 16.09078 273.142425537109, 22.155271
274.023742675781, 19.343303 275.132965087891, 2.305204 276.398742675781, 0.902657
277.153839111328, 5.609252 281.225830078125, 0.44564 284.404602050781, 0.640627
285.157623291016, 0.759881 287.091949462891, 2.633035 289.067413330078, 345.259213
290.087310791016, 269.079804 291.103332519531, 283.80506 292.093841552734, 27.298173
292.944274902344, 1.774607 299.102264404297, 1.354166 302.1123046875, 1.36086
303.131134033203, 9.312598 305.141693115234, 21.673337 307.103240966797, 10000
308.073211669922, 373.288178 308.702301025391, 28.76808 309.927215576172, 0.44135
311.244354248047, 0.955864 315.38427734375, 1.736161 316.054351806641, 0.476198
317.089508056641, 2.350594 318.050445556641, 2.539934 319.140625, 8.916929
320.267883300781, 1.504063 321.170867919922, 0.993382 323.197357177734, 0.481421
325.105072021484, 1.287159 327.222625732422, 0.919646 328.111541748047, 1.35664
330.182067871094, 0.97554 331.080047607422, 14.860894 332.315582275391, 3.994611
335.135009765625, 15.273027 337.061004638672, 0.972083 338.982727050781, 0.42253
341.109497070313, 1.186747 343.195861816406, 4.359065 344.121002197266, 0.734902
349.089050292969, 53.961617 349.839813232422, 2.468167 355.029815673828, 0.648475
359.227722167969, 1.444472 361.133728027344, 24.159414 362.137329101562, 1.575566
369.175964355469, 3.065931 373.217529296875, 6.70811 375.330078125, 0.522964
379.135192871094, 48.49253 382.345153808594, 0.367451 385.181549072266, 1.065385
387.142272949219, 2.454937 388.078796386719, 0.511237 391.198486328125, 3.508149
392.326141357422, 2.299641 393.217437744141, 0.543752 395.397613525391, 3.152864
397.118896484375, 444.965935 398.192596435547, 23.00624 403.156768798828, 3.593417
405.243408203125, 0.37773 407.034912109375, 1.336386 409.118743896484, 39.514089
409.900207519531, 1.893706 411.208374023438, 10.649896 412.252746582031, 1.770006
415.226226806641, 5.23668 421.212097167969, 2.513829 433.098602294922, 15.842092
434.007354736328, 4.06578 436.246643066406, 3.214855 451.163696289063, 375.997162
452.197357177734, 25.089478 
##END=$$ End of the data block
