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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001010

BENZOPHENONE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001010
RECORD_TITLE: BENZOPHENONE; 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$NAME: BENZOPHENONE
CH$NAME: DIPHENYL KETONE
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: INCHIKEY RWCCWEUUXYIKHB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021961

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a6r-6900000000-b948527870febd59c85e
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  27 1.21 12
  39 1 10
  44 2.02 20
  50 5.06 51
  51 18.49 185
  74 1.89 19
  75 2.16 22
  76 3.98 40
  77 62.42 624
  78 3.58 36
  105 99.99 999
  106 7.29 73
  181 3.91 39
  182 31.71 317
  183 3.98 40
//

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