##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/SpecManager v 12.01
##TIC=2167.000000
##DATA TYPE=MASS SPECTRUM
##DATA CLASS=PEAK TABLE
##ORIGIN=
##OWNER=
##DATE=11/10/31
##TIME=21:29:54
##.IONIZATION MODE=API-
##NPOINTS=314
##FIRSTX=115.00394440
##LASTX=447.35705566
##MAXX=10000.00000000
##MINX=49.26108551
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=49.26108551
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
115.003944396973, 49.261084 128.860168457031, 49.261084 128.987014770508, 49.261084
129.002243041992, 49.261084 129.00732421875, 49.261084 129.012405395508, 49.261084
129.017471313477, 49.261084 129.022552490234, 49.261084 129.027633666992, 49.261084
130.014312744141, 49.261084 132.019515991211, 49.261084 134.236740112305, 49.261084
136.341934204102, 49.261084 136.984527587891, 49.261084 136.994995117187, 49.261084
139.005676269531, 49.261084 156.830673217773, 49.261084 165.039245605469, 49.261084
168.078735351562, 49.261084 169.007019042969, 49.261084 169.059310913086, 49.261084
169.065124511719, 49.261084 169.070938110352, 49.261084 169.076751708984, 49.261084
169.082565307617, 49.261084 171.034881591797, 49.261084 174.429718017578, 49.261084
174.996795654297, 49.261084 175.00862121582, 98.522168 175.014541625977, 98.522168
175.020446777344, 98.522168 175.032272338867, 98.522168 175.038177490234, 98.522168
175.044097900391, 147.783244 175.050003051758, 147.783244 175.067749023438, 49.261084
175.079574584961, 49.261084 175.475982666016, 49.261084 176.026977539062, 49.261084
181.078842163086, 49.261084 185.081817626953, 49.261084 187.173065185547, 49.261084
188.177124023438, 49.261084 188.256820678711, 49.261084 189.60823059082, 49.261084
189.645156860352, 49.261084 189.989959716797, 49.261084 190.26725769043, 98.522168
190.489227294922, 49.261084 195.080902099609, 49.261084 195.212005615234, 98.522168
196.005798339844, 49.261084 196.068374633789, 49.261084 197.058334350586, 49.261084
200.783386230469, 49.261084 202.579467773438, 49.261084 204.217468261719, 49.261084
204.223861694336, 49.261084 207.745101928711, 49.261084 207.75798034668, 49.261084
210.971755981445, 49.261084 212.083190917969, 49.261084 213.047500610352, 49.261084
213.067077636719, 49.261084 218.952041625977, 49.261084 220.475616455078, 49.261084
220.528717041016, 49.261084 221.020095825195, 49.261084 223.672286987305, 49.261084
225.125, 49.261084 227.05354309082, 49.261084 236.111831665039, 49.261084
237.019149780273, 49.261084 237.990249633789, 49.261084 239.025512695313, 49.261084
239.046249389648, 49.261084 240.03532409668, 49.261084 240.076873779297, 98.522168
240.09765625, 49.261084 240.104568481445, 49.261084 240.139205932617, 49.261084
240.166900634766, 49.261084 240.499450683594, 49.261084 241.026458740234, 49.261084
241.033401489258, 49.261084 241.040344238281, 49.261084 241.047271728516, 98.522168
241.068084716797, 49.261084 242.040496826172, 49.261084 251.035919189453, 98.522168
251.042999267578, 49.261084 254.239471435547, 49.261084 255.98828125, 49.261084
258.446685791016, 49.261084 259.194396972656, 49.261084 259.525482177734, 49.261084
261.458526611328, 49.261084 261.877807617187, 49.261084 263.950256347656, 49.261084
266.993896484375, 49.261084 267.001190185547, 49.261084 267.008483886719, 49.261084
267.015808105469, 98.522168 267.037689208984, 98.522168 267.066925048828, 49.261084
267.169158935547, 49.261084 267.746551513672, 49.261084 267.783111572266, 49.261084
267.826995849609, 49.261084 267.870880126953, 49.261084 267.878204345703, 49.261084
267.944030761719, 49.261084 267.951354980469, 98.522168 267.965972900391, 49.261084
267.980621337891, 49.261084 267.987915039062, 49.261084 267.995239257812, 49.261084
268.002563476562, 49.261084 268.009857177734, 98.522168 268.017181396484, 98.522168
268.024505615234, 98.522168 268.031829833984, 98.522168 268.039123535156, 98.522168
268.046447753906, 49.261084 268.053771972656, 49.261084 268.061096191406, 49.261084
268.068389892578, 49.261084 268.083038330078, 49.261084 268.097686767578, 49.261084
268.11962890625, 49.261084 268.156219482422, 49.261084 268.170837402344, 49.261084
268.192810058594, 49.261084 268.222076416016, 49.261084 268.302612304687, 49.261084
268.368499755859, 49.261084 268.405090332031, 49.261084 268.419738769531, 49.261084
268.441711425781, 49.261084 268.551544189453, 49.261084 268.639434814453, 49.261084
268.646759033203, 98.522168 268.654083251953, 197.044337 268.661407470703, 197.044337
268.668731689453, 147.783244 268.676055908203, 197.044337 268.683380126953, 98.522168
268.690704345703, 197.044337 268.698028564453, 394.088674 268.705352783203, 147.783244
268.712677001953, 246.305418 268.720001220703, 147.783244 268.727325439453, 246.305418
268.734649658203, 49.261084 268.742004394531, 49.261084 268.763977050781, 49.261084
268.793273925781, 98.522168 268.873870849609, 98.522168 268.895874023438, 49.261084
268.961822509766, 49.261084 268.969146728516, 197.044337 268.976470947266, 295.566487
268.983795166016, 640.394115 268.991149902344, 1133.004856 268.998474121094, 2167.487717
269.005798339844, 3940.886688 269.013122558594, 4532.019424 269.020446777344, 5960.591125
269.027801513672, 8374.383545 269.035125732422, 9408.866882 269.042449951172, 10000
269.049774169922, 9704.433441 269.057098388672, 8078.817749 269.064453125, 4236.453247
269.07177734375, 2216.74881 269.0791015625, 1182.265949 269.08642578125, 1231.527138
269.09375, 1034.482765 269.101104736328, 591.132975 269.108428955078, 689.655161
269.115753173828, 344.82758 269.123077392578, 246.305418 269.130432128906, 443.349743
269.137756347656, 443.349743 269.145080566406, 295.566487 269.152404785156, 147.783244
269.159729003906, 197.044337 269.167083740234, 147.783244 269.174407958984, 197.044337
269.181732177734, 147.783244 269.189086914063, 147.783244 269.196411132813, 147.783244
269.203735351562, 49.261084 269.211059570313, 49.261084 269.233062744141, 49.261084
269.240386962891, 49.261084 269.409088134766, 49.261084 269.548461914062, 49.261084
269.636535644531, 49.261084 269.680572509766, 49.261084 269.695251464844, 49.261084
269.702575683594, 49.261084 269.717254638672, 49.261084 269.739288330078, 49.261084
269.783325195313, 49.261084 269.966857910156, 49.261084 269.974182128906, 49.261084
269.981536865234, 49.261084 269.988891601563, 49.261084 269.996215820313, 295.566487
270.003570556641, 394.088674 270.010925292969, 295.566487 270.018249511719, 443.349743
270.025604248047, 935.960579 270.032928466797, 1133.004856 270.040283203125, 1182.265949
270.047637939453, 985.221672 270.054962158203, 1379.310322 270.062316894531, 738.916254
270.069671630859, 492.610836 270.076995849609, 197.044337 270.084350585938, 147.783244
270.091705322266, 246.305418 270.099029541016, 98.522168 270.106384277344, 49.261084
270.135772705078, 49.261084 270.157806396484, 49.261084 270.172485351562, 49.261084
270.179840087891, 49.261084 270.201873779297, 98.522168 270.245941162109, 49.261084
270.488433837891, 98.522168 270.635467529297, 49.261084 270.951690673828, 49.261084
271.003173828125, 98.522168 271.010559082031, 49.261084 271.025268554687, 147.783244
271.032623291016, 98.522168 271.039978027344, 49.261084 271.047332763672, 98.522168
271.0546875, 147.783244 271.069396972656, 49.261084 271.098846435547, 49.261084
271.128265380859, 49.261084 272.078369140625, 49.261084 272.152099609375, 49.261084
274.634887695313, 49.261084 274.820068359375, 49.261084 276.184936523438, 49.261084
278.686004638672, 98.522168 280.898712158203, 49.261084 280.973602294922, 49.261084
282.796875, 49.261084 285.010681152344, 49.261084 285.025787353516, 49.261084
285.878997802734, 49.261084 289.342590332031, 49.261084 294.327850341797, 49.261084
301.920501708984, 49.261084 304.870697021484, 49.261084 305.214141845703, 49.261084
305.260986328125, 49.261084 305.948486328125, 49.261084 305.964111328125, 49.261084
310.869293212891, 49.261084 311.042663574219, 98.522168 312.036560058594, 49.261084
312.076049804687, 49.261084 327.895355224609, 49.261084 328.818511962891, 49.261084
337.021453857422, 49.261084 337.538513183594, 49.261084 340.220458984375, 49.261084
341.920654296875, 49.261084 344.852233886719, 49.261084 346.006774902344, 49.261084
346.131469726562, 49.261084 346.905151367188, 49.261084 347.954711914063, 49.261084
351.054351806641, 49.261084 352.949249267578, 49.261084 356.914794921875, 49.261084
359.943756103516, 49.261084 360.087890625, 49.261084 361.828460693359, 49.261084
361.904998779297, 49.261084 362.874816894531, 49.261084 362.917388916016, 49.261084
363.351715087891, 49.261084 363.939758300781, 49.261084 363.982391357422, 49.261084
364.903778076172, 49.261084 366.904144287109, 49.261084 367.1181640625, 49.261084
367.280883789063, 49.261084 376.164093017578, 49.261084 377.170196533203, 49.261084
380.955108642578, 49.261084 384.320709228516, 49.261084 385.249938964844, 49.261084
385.881744384766, 49.261084 386.768920898438, 49.261084 387.006256103516, 49.261084
388.097198486328, 49.261084 404.088195800781, 49.261084 405.985931396484, 49.261084
406.841827392578, 49.261084 421.961181640625, 49.261084 444.271514892578, 49.261084
445.119689941406, 49.261084 445.176239013672, 49.261084 446.185760498047, 49.261084
447.064086914062, 49.261084 447.357055664062, 49.261084 
##END=$$ End of the data block
