##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=876580.812500
##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=109
##FIRSTX=119.01972961
##LASTX=378.63049316
##MAXX=10000.00000000
##MINX=0.99678200
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=2.07671642
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
119.019729614258, 2.076716 121.025604248047, 1.278111 123.133270263672, 2.686671
124.088958740234, 1.441418 134.146850585937, 5.808248 148.846771240234, 2.550383
151.112976074219, 1.796967 155.210052490234, 1.138994 161.105590820313, 7.590742
162.572952270508, 6.058214 165.110610961914, 1.943665 167.109130859375, 1.246582
173.124603271484, 1.675275 175.046813964844, 838.937855 176.060501098633, 358.18212
177.155548095703, 2.146786 179.07763671875, 2.039077 181.047409057617, 1.994753
184.186065673828, 2.424342 187.160064697266, 2.759125 190.189208984375, 4.773087
192.216339111328, 2.292824 192.937347412109, 3.803346 194.997741699219, 1.465572
197.029510498047, 1.313684 200.332794189453, 0.996782 203.162796020508, 8.823035
204.065887451172, 2.549907 205.119369506836, 3.238828 209.044982910156, 1.823647
211.990600585938, 1.036136 217.156478881836, 2.465879 221.182373046875, 4.478262
223.965057373047, 1626.132393 224.980621337891, 10000 226.449920654297, 8.213078
227.334167480469, 2.967388 228.124420166016, 2.046342 232.995391845703, 2.253977
235.330108642578, 2.130223 236.978424072266, 408.723402 239.068572998047, 2.533579
240.87841796875, 8.18742 243.737915039062, 4.990574 244.364318847656, 1.416466
245.093688964844, 2.768026 247.139984130859, 8.425304 249.172241210937, 9.598398
251.065551757813, 4.309214 254.492309570312, 1.440914 257.121185302734, 4.763063
260.247833251953, 1.864229 261.166107177734, 4.000177 262.806823730469, 1.095097
264.271820068359, 4.238565 265.065277099609, 8.249293 266.878845214844, 2.00211
268.41064453125, 1.694586 275.950561523437, 1.292416 278.080963134766, 7.044469
279.275817871094, 3.605774 280.838500976562, 1.685504 283.37158203125, 0.998765
287.264770507812, 1.592974 291.050170898438, 21.609986 293.092376708984, 179.069555
294.175384521484, 2.225903 297.302520751953, 4.019754 298.334075927734, 3.052225
300.088684082031, 1.351656 307.054901123047, 4.319816 309.283203125, 2.418933
311.270202636719, 4.796246 315.346008300781, 6.227527 316.408813476562, 42.353195
317.252105712891, 36.300984 319.507354736328, 4.19661 320.244873046875, 1.917017
321.036834716797, 1.853226 323.208862304687, 1.063535 324.509521484375, 8.840772
328.353607177734, 1.296983 329.992645263672, 2.452252 331.211029052734, 7.522075
332.178771972656, 1.451077 333.224426269531, 12.605436 334.221405029297, 3.508309
335.996520996094, 6.852099 340.197204589844, 2.077149 341.330932617188, 2.969057
342.206878662109, 4.801979 343.373596191406, 2.242323 344.342102050781, 1.306662
347.126892089844, 8.64558 348.118469238281, 4.282548 349.194366455078, 10.026623
350.254791259766, 9.553023 351.048950195313, 2.893207 358.285491943359, 19.171177
359.13525390625, 714.398336 360.200042724609, 25.302562 361.24951171875, 3.128312
362.149078369141, 5.138478 367.267730712891, 9.656586 369.575134277344, 7.638294
374.297149658203, 2.560278 376.331146240234, 4.905763 377.559631347656, 1.419144
378.630493164063, 7.885512 
##END=$$ End of the data block
