Dataset

3,4-Dimethoxycinnamic acid; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR306029 contains the MS2 mass spectrum of 3,4-Dimethoxycinnamic acid with the InChIkey HJBWJAPEBGSQPR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)
SMILES COC1=C(OC)C=C(C=CC(O)=O)C=C1
InChI Key HJBWJAPEBGSQPR-UHFFFAOYSA-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-PR306029
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 3-(3,4-dimethoxyphenyl)prop-2-enoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-5134512966 Mcule
    16848 PubChem
    PD065268 ProbesDrugs
    193396 ChEBI
    30520730 eMolecules
    5903 Brenda
    36205 Brenda
    44891 Brenda
    The data in this table is sourced from UniChem at EBI.