MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006757
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006757
RECORD_TITLE: O-BROMOPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: O-BROMOPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H5BrO
CH$EXACT_MASS: 171.95238
CH$SMILES: Oc(c1)c(Br)ccc1
CH$IUPAC: InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H
CH$LINK: INCHIKEY
VADKRMSMGWJZCF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8052641
AC$INSTRUMENT: HITACHI RMS-4
AC$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$SPLASH: splash10-00di-9600000000-6c8d91ec2d8cd63d450f
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
40 4.6 46
46 5.9 59
49 5.3 53
50 1.32 13
51 4.8 48
53 20.4 204
54 2 20
55 0.2 2
60 3.1 31
61 13.7 137
62 22.6 226
63 5.45 55
64 55.2 552
65 87.3 873
66 11.2 112
72 0.13 1
73 3.6 36
74 8.4 84
75 4.3 43
76 0.18 2
77 1.3 13
79 3.8 38
80 2 20
81 0.36 4
82 1.8 18
86 4.8 48
87 4.8 48
91 0.15 2
92 15.5 155
93 21.9 219
94 2.3 23
116 0.13 1
117 5.6 56
118 1.5 15
119 5.1 51
143 0.59 6
144 2.3 23
145 5.6 56
146 2.3 23
172 99.99 999
173 11.2 112
174 98.2 982
175 10.7 107
//