ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007455
RECORD_TITLE: 4-PHENYL-3-BUTEN-2-ONE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4-PHENYL-3-BUTEN-2-ONE
CH$NAME: BENZYLIDENEACETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O
CH$EXACT_MASS: 146.07316
CH$SMILES: CC(=O)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
CH$LINK: CAS 5876-76-6
CH$LINK: INCHIKEY BWHOZHOGCMHOBV-BQYQJAHWSA-N
CH$LINK: COMPTOX DTXSID1031626

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0002-0900000000-45fb6240b879abb9c969
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  72 5.24 52
  103 1.09 11
  131 2.47 25
  145 1.94 19
  146 9.82 98
  147 99.99 999
  148 10.98 110
  149 1.04 10
  187 0.75 8
//