ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002254
RECORD_TITLE: 3-METHYL-5-PHENYLCYCLOHEX-2-ENONE; 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$NAME: 3-METHYL-5-PHENYLCYCLOHEX-2-ENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H14O
CH$EXACT_MASS: 186.10447
CH$SMILES: CC(=C2)CC(CC(=O)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H14O/c1-10-7-12(9-13(14)8-10)11-5-3-2-4-6-11/h2-6,8,12H,7,9H2,1H3
CH$LINK: INCHIKEY NIWQFOONBVIMGR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80277096
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$SPLASH: splash10-001i-9500000000-2b589e450435bac91e86
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  44 1.84 18
  54 3.54 35
  82 99.99 999
  83 5.83 58
  104 11.01 110
  105 1.99 20
  142 3.67 37
  143 2.08 21
  144 3.08 31
  184 1.86 19
  186 42.45 425
  187 5.94 59
//
