ACCESSION: MSBNK-RIKEN_ReSpect-PT100720
RECORD_TITLE: Phenyl styryl ketone, (E)-1,3-di(phenyl)prop-2-en-1-one, Benzalacetophenone, Chalcone, 1,3-Diphenyl-2-propenone; LC-ESI-QTOF; MS2
DATE: 2008.07.24
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Phenyl styryl ketone
CH$NAME: (E)-1,3-di(phenyl)prop-2-en-1-one
CH$NAME: Benzalacetophenone
CH$NAME: Chalcone
CH$NAME: 1,3-Diphenyl-2-propenone
CH$COMPOUND_CLASS: CLASS1 Flavonoid CLASS2 Chalcone CLASS3 Chalcone
CH$FORMULA: C₁₅H₁₂O
CH$EXACT_MASS: 208.26
CH$SMILES: C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2
CH$IUPAC: InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H
CH$LINK: CAS 94-41-7
CH$LINK: INCHIKEY DQFBYFPFKXHELB-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 209.09661

PK$SPLASH: splash10-0kai-1920000000-d52b48e8f3d60aa65927
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  77.0412 801.3 403
  103.0566 1934.0 972
  105.0363 654.3 329
  131.051 1987.0 999
  209.0966 1057.0 531
//