##TITLE=Metronidazole
##JCAMP-DX=4.24
##DATA TYPE=MASS SPECTRUM
##ORIGIN=NIST Mass Spectrometry Data Center
##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=443-48-1
##$NIST MASS SPEC NO=352184
##MOLFORM=C6 H9 N3 O3
##MW=171
##$NIST SOURCE=MSDC
##XUNITS=M/Z
##YUNITS=RELATIVE INTENSITY
##XFACTOR=1
##YFACTOR=1
##FIRSTX=14
##LASTX=173
##FIRSTY=20
##MAXX=173
##MINX=14
##MAXY=9999
##MINY=10
##NPOINTS=100
##PEAK TABLE=(XY..XY)
14,20 15,150 16,10 19,110
25,20 26,671 27,1151 28,1081
29,500 30,540 31,741 37,40
38,140 39,390 40,641 41,661
42,2662 43,2002 44,480 45,3023
46,110 47,50 48,10 50,10
51,330 52,3413 53,6836 54,8027
55,1021 56,430 57,70 58,50
59,10 60,150 61,10 62,10
63,20 64,50 65,50 66,250
67,1201 68,440 69,460 70,160
71,50 72,420 73,20 76,10
77,30 78,20 79,140 80,2352
81,9999 82,1151 83,731 84,170
85,110 86,80 87,10 93,70
94,330 95,340 96,721 97,250
98,110 99,50 100,110 101,10
106,40 107,90 108,300 109,210
110,140 111,310 112,1001 113,60
114,10 120,20 121,20 123,550
124,9979 125,4354 126,350 127,80
128,210 129,10 136,20 137,10
138,20 139,10 140,40 141,50
153,10 154,691 155,70 156,10
169,10 171,2312 172,190 173,20
##END=
