Dataset

5-Methoxysalicylic acid, 5-Methoxysalicylate, 5-O-Methylgentisic Acid, 6-Hydroxy-3-anisic Acid, 2-Hydroxy-5-methoxybenzoic acid, 5-Methoxy-2-hydroxybenzoic acid; LC-ESI-QQ; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS104210 contains the MS2 mass spectrum of 5-Methoxysalicylic acid, 5-Methoxysalicylate, 5-O-Methylgentisic Acid, 6-Hydroxy-3-anisic Acid, 2-Hydroxy-5-methoxybenzoic acid, 5-Methoxy-2-hydroxybenzoic acid with the InChIkey IZZIWIAOVZOBLF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
SMILES COC1=CC(=C(C=C1)O)C(=O)O
InChI Key IZZIWIAOVZOBLF-UHFFFAOYSA-N
Molecular Formula C8H8O4
Exact Mass 168.148 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS104210
Version
Author
Maintainer
Language
MetadataPublished 2009-02-09
Related Molecule
  • 2-hydroxy-5-methoxybenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:89830 chebi
    CHEMBL452949 chembl
    128781 surechembl
    29431885 surechembl
    75787 pubchem
    4EQ4PA4ASH fdasrs
    PD123981 probes_and_drugs
    VAXZUR CCDC
    228970 brenda
    74501 brenda
    91934 brenda
    HMDB0001868 hmdb
    DTXSID0062551 comptox
    Molport-001-760-603 molport
    The data in this table is sourced from UniChem at EBI.