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-PS104207 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-PS104207
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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
    No additional information available for this Dataset.