MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007151
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007151
RECORD_TITLE: BENZOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: BENZOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H10O
CH$EXACT_MASS: 182.07316
CH$SMILES: c(c2)ccc(c2)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
CH$LINK: CAS
119-61-9
CH$LINK: INCHIKEY
RWCCWEUUXYIKHB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0021961
AC$INSTRUMENT: HITACHI M-80B
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: splash10-0a6r-7900000000-95f4bdf3395ce8c0bc20
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
27 1.96 20
39 1.98 20
50 10.38 104
51 31.56 316
52 1.71 17
63 1.05 11
74 2.87 29
75 2.1 21
76 4.21 42
77 69.37 694
78 3.81 38
105 99.99 999
106 5.89 59
152 2.4 24
153 1.38 14
154 1.56 16
181 4.43 44
182 41.07 411
183 4.47 45
//
system version 2.2.8-SNAPSHOT