MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003522
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003522
RECORD_TITLE: M-BROMOACETOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$INSTRUMENT: HITACHI M-68
AC$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$SPLASH: splash10-0f8i-5910000000-df061c2bafabcb2abd3c
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
15 6.6 66
26 1.2 12
27 1.3 13
37 3 30
38 6.2 62
39 3.3 33
43 42.4 424
49 0.24 2
50 28.7 287
51 8.1 81
61 2.5 25
62 0.36 4
63 5.4 54
73 3.6 36
74 17.3 173
75 2.57 26
76 29.5 295
77 6.7 67
79 1.6 16
81 0.15 2
90 2.5 25
91 2.1 21
104 4.1 41
155 4.27 43
156 3.7 37
157 44.6 446
158 3.3 33
183 99.99 999
184 7.1 71
185 89.6 896
186 6.7 67
198 4.2 42
199 4.2 42
200 38.8 388
201 4 40
//
system version 2.2.6-SNAPSHOT