MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011781
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011781
RECORD_TITLE: ORTHO-BROMOANISOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ORTHO-BROMOANISOLE
CH$NAME: 2-METHOXYBROMOBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7BrO
CH$EXACT_MASS: 185.96803
CH$SMILES: COc(c1)c(Br)ccc1
CH$IUPAC: InChI=1S/C7H7BrO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
CH$LINK: INCHIKEY
HTDQSWDEWGSAMN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4060367
AC$INSTRUMENT: HITACHI M-80A
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000i-5900000000-a7c241ec03f353869b71
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
26 1.3 13
27 1.44 14
29 3.85 39
32 1.77 18
37 5.16 52
38 11.87 119
39 6.76 68
49 2.34 23
50 15.89 159
51 14.52 145
52 1.56 16
53 3.96 40
61 4.51 45
62 9.91 99
63 32.98 330
64 17.84 178
65 1.83 18
73 2.11 21
74 8.46 85
75 10.21 102
76 8.96 90
77 29.03 290
78 4.6 46
79 5.77 58
81 1.24 12
92 14.84 148
93 1.7 17
107 1.05 11
117 5.5 55
119 5.59 56
143 43.3 433
144 2.56 26
145 42.87 429
146 2.39 24
155 2.93 29
156 1.59 16
157 3.13 31
158 1.43 14
171 30.69 307
172 2.77 28
173 29.59 296
174 1.77 18
186 99.99 999
187 8.31 83
188 98.67 987
189 7.41 74
//