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MassBank Record: MSBNK-RIKEN_ReSpect-PT201050

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

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-RIKEN_ReSpect-PT201050
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: 2008.07.28
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 NEGATIVE
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 147.04463

PK$SPLASH: splash10-0f6t-0900000000-218a5babf0ab7c31c498
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  102.9346 15.17 186
  103.0548 81.54 999
  145.888 8.815 108
  146.8973 46.19 566
  147.0446 51.43 630
//

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