MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006756
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006756
RECORD_TITLE: M-BROMOACETOPHENONE; 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$NAME: M-BROMOACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7BrO
CH$EXACT_MASS: 197.96803
CH$SMILES: CC(=O)c(c1)cc(Br)cc1
CH$IUPAC: InChI=1S/C8H7BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
CH$LINK: INCHIKEY
JYAQYXOVOHJRCS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40870941
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$SPLASH: splash10-0fbc-9100000000-432b3fc56e4068c9dc2f
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
39 9 90
40 1 10
41 1 10
42 0.5 5
43 99.99 999
44 2 20
45 1 10
48 0.1 1
49 5 50
50 92 920
51 21 210
52 0.2 2
53 2 20
60 1 10
61 4 40
62 0.6 6
63 9 90
64 3 30
65 3 30
73 0.5 5
74 39 390
75 56 560
76 68 680
77 0.8 8
78 1 10
79 2 20
80 1 10
81 0.2 2
82 1 10
84 1 10
85 1 10
86 0.2 2
87 2 20
88 1 10
89 5 50
90 0.3 3
91 3 30
101 1 10
102 1 10
103 0.1 1
104 5 50
105 1 10
106 1 10
107 0.1 1
155 12 120
156 2 20
157 11 110
158 0.2 2
183 13 130
184 2 20
185 13 130
186 0.2 2
198 5 50
199 1 10
200 5 50
201 1 10
//
system version 2.2.6-SNAPSHOT