Dataset

3-Methoxycinnamic acid; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR305908 contains the MS2 mass spectrum of 3-Methoxycinnamic acid with the InChIkey LZPNXAULYJPXEH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H10O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7H,1H3,(H,11,12)
SMILES COC1=CC=CC(C=CC(O)=O)=C1
InChI Key LZPNXAULYJPXEH-UHFFFAOYSA-N
Molecular Formula C10H10O3
Exact Mass 178.187 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-PR305908
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • 3-(3-methoxyphenyl)prop-2-enoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZZZNRU CCDC
    10009108 NMRShiftDB
    37034766 eMolecules
    182382 ChEBI
    MCULE-5752702758 Mcule
    87155 PubChem
    The data in this table is sourced from UniChem at EBI.