Dataset

Sinapoyl aldehyde; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR302286 contains the MS2 mass spectrum of Sinapoyl aldehyde with the InChIkey CDICDSOGTRCHMG-ONEGZZNKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+
SMILES COC1=CC(\C=C\C=O)=CC(OC)=C1O
InChI Key CDICDSOGTRCHMG-ONEGZZNKSA-N
Molecular Formula C11H12O4
Exact Mass 208.213 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302286
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:27949 chebi
    SNY rcsb_pdb
    CHEMBL225067 chembl
    197270 surechembl
    5280802 pubchem
    4VB87UV6WG fdasrs
    PD158058 probes_and_drugs
    104764 brenda
    126826 brenda
    190527 brenda
    49418 brenda
    5214 brenda
    5313 brenda
    95015 brenda
    Molport-001-741-244 molport
    The data in this table is sourced from UniChem at EBI.