Dataset

vanillic acid; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-

This MassBank record with Accession MSBNK-MetaboLights-ML005851 contains the MS2 mass spectrum of vanillic acid with the InChIkey WKOLLVMJNQIZCI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
SMILES COc1cc(C(=O)O)ccc1O
InChI Key WKOLLVMJNQIZCI-UHFFFAOYSA-N
Molecular Formula C8H8O4
Exact Mass 168.042 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-MetaboLights-ML005851
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MetadataPublished 2014-11-14
Related Molecule
  • 4-hydroxy-3-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.