##TITLE=2-Octanone
##JCAMP-DX=4.24
##DATA TYPE=MASS SPECTRUM
##ORIGIN=NIST Mass Spectrometry Data Center, 1990.
##OWNER=NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
##CAS REGISTRY NO=111-13-7
##$NIST MASS SPEC NO=114247
##MOLFORM=C8 H16 O
##MW=128
##$NIST SOURCE=MSDC
##XUNITS=M/Z
##YUNITS=RELATIVE INTENSITY
##XFACTOR=1
##YFACTOR=1
##FIRSTX=15
##LASTX=129
##FIRSTY=136
##MAXX=129
##MINX=15
##MAXY=9999
##MINY=11
##NPOINTS=52
##PEAK TABLE=(XY..XY)
15,136 26,123 27,1000 28,150
29,758 30,24 31,56 37,20
39,1189 40,288 41,2079 42,20
43,9999 44,341 45,102 50,61
51,105 52,49 53,257 54,95
55,734 56,225 57,49 58,8593
59,1683 60,69 63,20 65,38
66,14 67,112 68,176 69,152
70,273 71,1896 72,216 77,21
79,25 81,63 82,11 83,21
84,11 85,726 86,189 95,101
99,82 100,26 109,17 110,39
113,389 114,29 128,588 129,47
##END=
