ACCESSION: MSBNK-RIKEN_ReSpect-PT101050
RECORD_TITLE: trans-3-Phenylacrylic acid, trans-Cinnamic acid, trans-beta-Carboxystyrene, (E)-3-phenylprop-2-enoic acid, 3-Phenylpropenoic Acid, Zimtsaeure, trans-3-Benzenepropenoic Acid; 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$NAME: trans-3-Phenylacrylic acid
CH$NAME: trans-Cinnamic acid
CH$NAME: trans-beta-Carboxystyrene
CH$NAME: (E)-3-phenylprop-2-enoic acid
CH$NAME: 3-Phenylpropenoic Acid
CH$NAME: Zimtsaeure
CH$NAME: trans-3-Benzenepropenoic Acid
CH$COMPOUND_CLASS: CLASS1 Phenylpropanoid CLASS2 Phenylpropanoid monomer CLASS3 Cinnamic acid
CH$FORMULA: C₉H₈O₂
CH$EXACT_MASS: 148.161
CH$SMILES: C1=CC=C(C=C1)C=CC(=O)O
CH$IUPAC: InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)
CH$LINK: CAS 140-10-3
CH$LINK: INCHIKEY WBYWAXJHAXSJNI-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 149.06023

PK$SPLASH: splash10-0002-0900000000-37c486fa03918355413c
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  131.0512 8.178 101
  149.0074 8.39 103
  149.0555 81.15 999
//