Dataset

4-HYDROXY-3-METHOXYBENZOIC ACID METHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011441 contains the MS mass spectrum of 4-HYDROXY-3-METHOXYBENZOIC ACID METHYL ESTER with the InChIkey BVWTXUYLKBHMOX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3
SMILES COC(=O)c(c1)cc(OC)c(O)c1
InChI Key BVWTXUYLKBHMOX-UHFFFAOYSA-N
Molecular Formula C9H10O4
Exact Mass 182.058 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-Fac_Eng_Univ_Tokyo-JP011441
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • methyl 4-hydroxy-3-methoxybenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB08711 drugbank
    CHEBI:46477 chebi
    VXX rcsb_pdb
    CHEMBL486214 chembl
    275939 surechembl
    29640509 surechembl
    19844 pubchem
    2HXG8QSO3D fdasrs
    PD004190 probes_and_drugs
    FOZYAX CCDC
    109177 brenda
    175771 brenda
    55329 brenda
    61193 brenda
    VXX pdbe
    HMDB0240266 hmdb
    DTXSID5074345 comptox
    Molport-001-768-871 molport
    The data in this table is sourced from UniChem at EBI.