##TITLE=3-Heptanone
##JCAMP-DX=4.24
##DATA TYPE=MASS SPECTRUM
##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=106-35-4
##$NIST MASS SPEC NO=1766
##MOLFORM=C7 H14 O
##MW=114
##$NIST SOURCE=MSDC
##XUNITS=M/Z
##YUNITS=RELATIVE INTENSITY
##XFACTOR=1
##YFACTOR=1
##FIRSTX=13
##LASTX=116
##FIRSTY=20
##MAXX=116
##MINX=13
##MAXY=9999
##MINY=10
##NPOINTS=66
##PEAK TABLE=(XY..XY)
13,20 14,80 15,310 16,10
18,10 19,10 25,10 26,701
27,4054 28,1351 29,6856 30,160
31,170 32,10 37,50 38,120
39,1081 40,150 41,2482 42,520
43,1241 44,70 45,70 49,10
50,70 51,90 52,40 53,160
54,70 55,460 56,280 57,9999
58,490 59,280 60,10 61,10
62,10 63,10 65,10 66,10
67,30 68,10 69,190 70,30
71,220 72,1992 73,130 74,10
77,10 78,10 79,10 81,10
83,20 84,20 85,3003 86,180
87,90 88,10 91,10 92,10
98,10 99,30 100,10 114,1271
115,120 116,10
##END=
