##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/SpecManager v 12.01
##TIC=11985511.000000
##DATA TYPE=MASS SPECTRUM
##DATA CLASS=PEAK TABLE
##ORIGIN=
##OWNER=
##DATE=12/ 9/ 9
##TIME=23:26:00
##.IONIZATION MODE=ESI+
##NPOINTS=309
##FIRSTX=57.00000000
##LASTX=465.39999390
##MAXX=10000.00000000
##MINX=57.14285278
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=114.28570557
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
57, 114.285707 57.099998474121, 171.428573 57.200000762939, 57.142854 57.299999237061, 57.142854
57.400001525879, 57.142854 62.700000762939, 57.142854 62.799999237061, 57.142854
62.900001525879, 57.142854 68.800003051758, 57.142854 69, 114.285707 70.599998474121, 171.428573
70.699996948242, 685.714293 70.800003051758, 1142.857075 70.900001525879, 1828.57132
71, 1542.857075 71.099998474121, 2057.14283 71.199996948242, 1028.571415
71.300003051758, 1942.856979 71.400001525879, 628.571415 71.5, 114.285707
74.699996948242, 114.285707 75.099998474121, 285.714269 75.199996948242, 57.142854
75.300003051758, 57.142854 82.900001525879, 114.285707 83, 114.285707 83.199996948242, 171.428573
84.400001525879, 342.857146 84.5, 1142.857075 84.599998474121, 2171.42849
84.699996948242, 1885.714149 84.800003051758, 2914.28566 84.900001525879, 3600
85, 3771.428299 85.099998474121, 3485.713959 85.199996948242, 3371.428299
85.300003051758, 1885.714149 85.400001525879, 400 86.699996948242, 57.142854
86.800003051758, 57.142854 86.900001525879, 114.285707 87.199996948242, 171.428573
89, 57.142854 91.099998474121, 57.142854 97.300003051758, 57.142854 97.400001525879, 57.142854
99, 57.142854 99.099998474121, 57.142854 100.800003051758, 57.142854 100.900001525879, 114.285707
102.5, 57.142854 102.599998474121, 57.142854 102.699996948242, 57.142854
102.800003051758, 228.571415 102.900001525879, 114.285707 103, 114.285707
103.099998474121, 171.428573 103.199996948242, 57.142854 110.5, 57.142854
110.800003051758, 57.142854 110.900001525879, 114.285707 111.099998474121, 57.142854
111.199996948242, 57.142854 126.699996948242, 57.142854 127.400001525879, 114.285707
127.5, 114.285707 128.600006103516, 285.714269 128.699996948242, 571.428537
128.800003051758, 1200 128.899993896484, 1542.857075 129, 1200 129.100006103516, 1200
129.199996948242, 1371.428585 129.300003051758, 285.714269 129.399993896484, 114.285707
129.5, 57.142854 134.800003051758, 57.142854 140.899993896484, 57.142854
141.300003051758, 57.142854 145, 114.285707 145.199996948242, 57.142854
146.899993896484, 171.428573 147, 114.285707 147.100006103516, 285.714269
147.199996948242, 457.14283 147.300003051758, 171.428573 147.399993896484, 285.714269
147.5, 114.285707 147.600006103516, 114.285707 150.600006103516, 57.142854
150.800003051758, 57.142854 150.899993896484, 171.428573 151, 228.571415
151.100006103516, 57.142854 151.199996948242, 57.142854 151.300003051758, 114.285707
151.399993896484, 114.285707 152.699996948242, 514.285707 152.800003051758, 685.714293
152.899993896484, 1028.571415 153, 857.14283 153.100006103516, 800 153.199996948242, 685.714293
153.300003051758, 742.857122 160.600006103516, 57.142854 164.699996948242, 57.142854
171.100006103516, 171.428573 171.199996948242, 57.142854 176.800003051758, 171.428573
176.899993896484, 285.714269 177, 628.571415 177.100006103516, 400 177.199996948242, 1085.714245
177.300003051758, 742.857122 177.399993896484, 114.285707 177.5, 171.428573
178.600006103516, 57.142854 178.699996948242, 171.428573 178.800003051758, 457.14283
178.899993896484, 171.428573 179, 400 179.100006103516, 228.571415 179.199996948242, 342.857146
179.300003051758, 171.428573 188.600006103516, 57.142854 190.600006103516, 57.142854
190.800003051758, 57.142854 191.300003051758, 57.142854 192.899993896484, 57.142854
193, 57.142854 194.600006103516, 171.428573 194.699996948242, 628.571415
194.800003051758, 742.857122 194.899993896484, 1371.428585 195, 685.714293
195.100006103516, 857.14283 195.199996948242, 1142.857075 195.300003051758, 57.142854
201.300003051758, 57.142854 202.899993896484, 57.142854 203, 57.142854
203.100006103516, 57.142854 203.399993896484, 57.142854 203.5, 57.142854
206.699996948242, 57.142854 216.5, 57.142854 217.300003051758, 57.142854
218.199996948242, 57.142854 218.5, 57.142854 218.600006103516, 171.428573
218.699996948242, 228.571415 218.800003051758, 571.428537 218.899993896484, 285.714269
219, 228.571415 219.100006103516, 457.14283 219.199996948242, 400 219.300003051758, 114.285707
219.5, 114.285707 220.699996948242, 57.142854 220.800003051758, 57.142854
221.300003051758, 57.142854 231.199996948242, 57.142854 235.199996948242, 57.142854
240, 57.142854 244.600006103516, 228.571415 244.699996948242, 171.428573
244.800003051758, 285.714269 244.899993896484, 171.428573 245, 171.428573
245.100006103516, 514.285707 245.199996948242, 285.714269 245.300003051758, 228.571415
245.399993896484, 114.285707 259.200012207031, 57.142854 260.700012207031, 114.285707
260.899993896484, 114.285707 261.100006103516, 171.428573 261.399993896484, 57.142854
261.5, 57.142854 262.299987792969, 57.142854 262.5, 114.285707 262.600006103516, 285.714269
262.700012207031, 228.571415 262.799987792969, 400 262.899993896484, 685.714293
263, 857.14283 263.100006103516, 742.857122 263.200012207031, 400 263.299987792969, 514.285707
263.399993896484, 285.714269 263.5, 171.428573 271.399993896484, 114.285707
280.899993896484, 285.714269 281, 400 281.100006103516, 285.714269 281.200012207031, 342.857146
281.299987792969, 857.14283 281.399993896484, 228.571415 281.5, 114.285707
281.600006103516, 285.714269 283.200012207031, 57.142854 283.299987792969, 114.285707
284.799987792969, 171.428573 284.899993896484, 57.142854 285.100006103516, 57.142854
285.399993896484, 114.285707 285.5, 57.142854 296.799987792969, 57.142854
297, 57.142854 297.5, 57.142854 298.899993896484, 57.142854 299.100006103516, 57.142854
301.200012207031, 57.142854 302.299987792969, 171.428573 302.5, 57.142854
302.600006103516, 1028.571415 302.700012207031, 1714.28566 302.799987792969, 1942.856979
302.899993896484, 4457.142639 303, 6628.57132 303.100006103516, 8571.42868
303.200012207031, 10000 303.299987792969, 7771.427917 303.399993896484, 6742.856598
303.5, 1942.856979 303.600006103516, 628.571415 303.799987792969, 342.857146
304, 57.142854 305.5, 57.142854 310.799987792969, 57.142854 314.600006103516, 57.142854
314.700012207031, 57.142854 314.899993896484, 57.142854 315, 228.571415
315.100006103516, 171.428573 315.200012207031, 228.571415 315.299987792969, 285.714269
315.5, 285.714269 323.200012207031, 57.142854 326.799987792969, 228.571415
327.100006103516, 171.428573 327.200012207031, 342.857146 327.299987792969, 114.285707
327.399993896484, 114.285707 328.700012207031, 57.142854 328.799987792969, 57.142854
339.399993896484, 57.142854 340.700012207031, 57.142854 344.600006103516, 57.142854
344.700012207031, 171.428573 344.899993896484, 228.571415 345, 457.14283
345.100006103516, 228.571415 345.200012207031, 114.285707 345.299987792969, 114.285707
345.399993896484, 114.285707 346.700012207031, 57.142854 353.200012207031, 57.142854
355.200012207031, 57.142854 356.700012207031, 57.142854 357.399993896484, 57.142854
357.5, 57.142854 365.100006103516, 57.142854 367.200012207031, 57.142854
368.600006103516, 57.142854 368.799987792969, 342.857146 368.899993896484, 114.285707
369, 114.285707 369.100006103516, 114.285707 369.200012207031, 285.714269
369.299987792969, 114.285707 377.200012207031, 57.142854 380.899993896484, 57.142854
381.100006103516, 114.285707 381.200012207031, 114.285707 381.299987792969, 57.142854
381.399993896484, 57.142854 389.399993896484, 57.142854 392.899993896484, 57.142854
393, 57.142854 393.399993896484, 57.142854 394.600006103516, 57.142854
394.700012207031, 57.142854 394.899993896484, 228.571415 395, 285.714269
395.100006103516, 285.714269 395.200012207031, 114.285707 395.299987792969, 57.142854
395.399993896484, 57.142854 395.799987792969, 57.142854 411, 114.285707
411.200012207031, 57.142854 411.5, 57.142854 411.799987792969, 57.142854
412.700012207031, 57.142854 412.799987792969, 57.142854 413, 57.142854
413.100006103516, 57.142854 413.299987792969, 114.285707 413.399993896484, 57.142854
413.799987792969, 57.142854 430.799987792969, 57.142854 447.100006103516, 57.142854
448.899993896484, 57.142854 449, 57.142854 449.100006103516, 57.142854
455.299987792969, 114.285707 463.399993896484, 57.142854 465.399993896484, 57.142854
##END=$$ End of the data block
