Dataset

3-Hydroxy-4-methoxycinnamic acid (isoferulic acid); LC-ESI-QTOF; MS

This MassBank record with Accession MSBNK-BS-BS003971 contains the MS mass spectrum of 3-Hydroxy-4-methoxycinnamic acid (isoferulic acid) with the InChIkey QURCVMIEKCOAJU-HWKANZROSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
SMILES C(OC1=C(C(=C(C(=C1[H])[H])/C(=C(/C(=O)O[H])\[H])/[H])[H])O[H])([H])([H])[H]
InChI Key QURCVMIEKCOAJU-HWKANZROSA-N
Molecular Formula C10H10O4
Exact Mass 194.058 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-BS-BS003971
Version
Author
Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB07109 drugbank
    CHEBI:27794 chebi
    4FE rcsb_pdb
    CHEMBL233295 chembl
    249041 surechembl
    29574481 surechembl
    736186 pubchem
    XSQ2K2G7MC fdasrs
    PD006097 probes_and_drugs
    15798 brenda
    181739 brenda
    188737 brenda
    188738 brenda
    196474 brenda
    32799 brenda
    5981 brenda
    HMDB0000955 hmdb
    50572476 bindingdb
    50632891 bindingdb
    Molport-000-490-526 molport
    The data in this table is sourced from UniChem at EBI.