MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003097
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003097
RECORD_TITLE: CHLORZOXAZONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: CHLORZOXAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H4ClNO2
CH$EXACT_MASS: 168.99306
CH$SMILES: O=C(O1)Nc(c2)c(ccc(Cl)2)1
CH$IUPAC: InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
CH$LINK: INCHIKEY
TZFWDZFKRBELIQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9022813
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-02t9-7900000000-bf1beeca5227a276a1a9
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
35 2.9 29
36 14.9 149
37 5 50
38 0.67 7
39 8 80
40 5.9 59
41 3.1 31
42 0.01 0
43 2 20
44 17.9 179
45 0.9 9
46 0.02 0
47 0.9 9
48 0.9 9
49 4.9 49
50 1.68 17
51 20.4 204
52 10.9 109
53 2.8 28
54 0.09 1
55 2.9 29
56 1.3 13
57 2.3 23
58 0.09 1
60 2.5 25
61 5.8 58
62 9.4 94
63 1.99 20
64 2.7 27
65 1.6 16
66 0.3 3
70 0.01 0
71 1.3 13
72 1.6 16
73 1.9 19
74 0.17 2
75 4.6 46
76 12.9 129
77 5.9 59
78 5.79 58
79 6.9 69
80 0.9 9
85 2.8 28
86 0.47 5
87 2 20
88 1.9 19
89 2.1 21
90 0.49 5
91 2 20
92 0.8 8
95 1.2 12
96 0.09 1
97 1.4 14
98 4.4 44
99 0.9 9
100 0.23 2
101 0.2 2
105 0.9 9
106 2.3 23
107 0.09 1
112 2.7 27
113 55.4 554
114 5.7 57
115 1.67 17
116 1.9 19
119 1.9 19
125 4.4 44
126 0.08 1
127 1.9 19
128 0.3 3
140 2.9 29
141 0.18 2
142 1.1 11
143 1.7 17
144 0.2 2
166 0.04 0
167 0.9 9
168 1.2 12
169 99.99 999
170 0.84 8
171 31.4 314
172 4 40
173 0.9 9
//