MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011782
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011782
RECORD_TITLE: META-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$NAME: META-BROMOANISOLE
CH$NAME: 3-METHOXYBROMOBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7BrO
CH$EXACT_MASS: 185.96803
CH$SMILES: COc(c1)cc(Br)cc1
CH$IUPAC: InChI=1S/C7H7BrO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
CH$LINK: INCHIKEY
PLDWAJLZAAHOGG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4044618
AC$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-6900000000-6ef714916e3b09ba669b
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
29 3.49 35
37 4.48 45
38 12.18 122
39 4.98 50
49 2.03 20
50 15.37 154
51 6.61 66
53 2.99 30
61 4.35 44
62 9.47 95
63 32.97 330
64 21.02 210
65 1.63 16
73 2.32 23
74 8.67 87
75 10.89 109
76 8.57 86
77 58.1 581
78 6.61 66
79 9.4 94
92 23.2 232
93 2.91 29
107 5.28 53
117 3.7 37
119 3.71 37
143 24.76 248
144 1.71 17
145 22.82 228
155 4.58 46
156 13.62 136
157 6.41 64
158 13.28 133
159 2.32 23
171 4.85 49
173 4.93 49
186 99.99 999
187 8.57 86
188 96.92 969
189 7.35 74
//