ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004814
RECORD_TITLE: 1,4-DIPHENYLBUTANE-1,4-DIONE; 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$NAME: 1,4-DIPHENYLBUTANE-1,4-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H14O2
CH$EXACT_MASS: 238.09938
CH$SMILES: O=C(CCC(=O)c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H14O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2
CH$LINK: INCHIKEY OSWWFLDIIGGSJV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30197811
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0a4i-3910000000-201eacae0824c53c4519
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  50 1.63 16
  51 7.73 77
  55 2.24 22
  76 1.1 11
  77 31.59 316
  78 2.37 24
  105 99.99 999
  106 8.06 81
  133 10.81 108
  134 1.07 11
  238 15.68 157
  239 2.83 28
//
