Dataset

3,5-Dimethoxycinnamic acid; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR302448 contains the MS2 mass spectrum of 3,5-Dimethoxycinnamic acid with the InChIkey VLSRUFWCGBMYDJ-ONEGZZNKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H12O4/c1-14-9-5-8(3-4-11(12)13)6-10(7-9)15-2/h3-7H,1-2H3,(H,12,13)/b4-3+
SMILES COC1=CC(\C=C\C(O)=O)=CC(OC)=C1
InChI Key VLSRUFWCGBMYDJ-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-PR302448
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • (E)-3-(3,5-dimethoxyphenyl)prop-2-enoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5324677 PubChem
    121276942 PubChem: Thomson Pharma
    536897 eMolecules
    CB6460925 ChemicalBook
    112500 Brenda
    SCHEMBL290940 SureChEMBL
    MCULE-3333629868 Mcule
    20040427 NMRShiftDB
    ZINC000001584583 ZINC
    J318.298C Nikkaji
    J505.007C Nikkaji
    CHEMBL1436594 ChEMBL
    The data in this table is sourced from UniChem at EBI.