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MassBank Record: MSBNK-RIKEN_ReSpect-PS000901

trans-Cinnamyl alcohol, Styryl alcohol, Zimtalcohol, Styrone, (E)-cinnamyl alcohol, cinnamic alcohol, Cinnamyl alcohol, 3-Phenyl-2-propenol, Styrylcarbinol, 3-Phenylallyl alcohol, Styryl carbinol, 3-Phenyl-2-propen-1-ol; LC-ESI-QQ; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PS000901
RECORD_TITLE: trans-Cinnamyl alcohol, Styryl alcohol, Zimtalcohol, Styrone, (E)-cinnamyl alcohol, cinnamic alcohol, Cinnamyl alcohol, 3-Phenyl-2-propenol, Styrylcarbinol, 3-Phenylallyl alcohol, Styryl carbinol, 3-Phenyl-2-propen-1-ol; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound Nacalai-T, 09017-72.
COMMENT: PRIMe compound in-house ID 9
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

CH$NAME: trans-Cinnamyl alcohol
CH$NAME: Styryl alcohol
CH$NAME: Zimtalcohol
CH$NAME: Styrone
CH$NAME: (E)-cinnamyl alcohol
CH$NAME: cinnamic alcohol
CH$NAME: Cinnamyl alcohol
CH$NAME: 3-Phenyl-2-propenol
CH$NAME: Styrylcarbinol
CH$NAME: 3-Phenylallyl alcohol
CH$NAME: Styryl carbinol
CH$NAME: 3-Phenyl-2-propen-1-ol
CH$COMPOUND_CLASS: CLASS1 Phenylpropanoid CLASS2 Phenylpropanoid monomer CLASS3 Coniferyl alcohol
CH$FORMULA: C9H10O
CH$EXACT_MASS: 134.178
CH$SMILES: C1=CC=C(C=C1)C=CCO
CH$IUPAC: InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2
CH$LINK: CAS 104-54-1
CH$LINK: PUBCHEM CID:5315892
CH$LINK: INCHIKEY OOCCDEMITAIZTP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9041491

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 135.16

PK$SPLASH: splash10-000i-0900000000-a82255bc8c62a5e33dac
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  79.0 6255.0 56
  135.0 111109.0 999
//

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