##TITLE=Heptanoic acid
##JCAMP-DX=4.24
##DATA TYPE=MASS SPECTRUM
##ORIGIN=NIST Mass Spectrometry Data Center, 1998.
##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=111-14-8
##$NIST MASS SPEC NO=291371
##MOLFORM=C7 H14 O2
##MW=130
##$NIST SOURCE=MSDC
##XUNITS=M/Z
##YUNITS=RELATIVE INTENSITY
##XFACTOR=1
##YFACTOR=1
##FIRSTX=15
##LASTX=130
##FIRSTY=10
##MAXX=130
##MINX=15
##MAXY=9999
##MINY=10
##NPOINTS=64
##PEAK TABLE=(XY..XY)
15,10 26,110 27,1250 28,220
29,1220 30,40 31,140 37,10
38,40 39,1320 40,210 41,3160
42,1130 43,3150 44,130 45,1470
46,20 47,10 48,10 50,30
51,110 52,30 53,300 54,120
55,2710 56,560 57,320 58,20
59,370 60,9999 61,1160 62,30
63,10 65,10 66,10 67,100
68,240 69,490 70,1320 71,1240
72,30 73,4690 74,540 75,10
77,20 79,10 81,10 82,10
83,360 84,390 85,20 86,10
87,2160 88,120 89,10 94,10
97,20 101,690 102,20 111,10
112,20 113,30 115,20 130,10
##END=
