Dataset

3-METHOXYPHENYLACETIC ACID; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011233 contains the MS mass spectrum of 3-METHOXYPHENYLACETIC ACID with the InChIkey LEGPZHPSIPPYIO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
SMILES COc(c1)cc(cc1)CC(O)=O
InChI Key LEGPZHPSIPPYIO-UHFFFAOYSA-N
Molecular Formula C9H10O3
Exact Mass 166.063 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-Fac_Eng_Univ_Tokyo-JP011233
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-(3-methoxyphenyl)acetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:88719 chebi
    V33 rcsb_pdb
    CHEMBL345053 chembl
    229067 surechembl
    29824310 surechembl
    15719 pubchem
    25XLO0T6MY fdasrs
    PD124118 probes_and_drugs
    LUDHUN CCDC
    170344 brenda
    V33 - Ideal conformer pdbe
    HMDB0059969 hmdb
    Molport-001-769-782 molport
    The data in this table is sourced from UniChem at EBI.