MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010341
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010341
RECORD_TITLE: DIBENZOYL; 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$NAME: DIBENZOYL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H10O2
CH$EXACT_MASS: 210.06808
CH$SMILES: c(c2)ccc(c2)C(=O)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H
CH$LINK: INCHIKEY
WURBFLDFSFBTLW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3044380
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$SPLASH: splash10-0a4i-6900000000-034b4bb7e3dd50be8f80
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
27 1.52 15
28 3.14 31
39 1.35 14
50 6.27 63
51 19.38 194
52 1.04 10
74 1.71 17
75 1.23 12
76 1.69 17
77 38.23 382
78 3.23 32
105 99.99 999
106 7.75 78
210 2.53 25
211 1.11 11
//
system version 2.2.6-SNAPSHOT