Dataset

Vanillin; LC-APCI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82327 contains the MS mass spectrum of Vanillin with the InChIkey MWOOGOJBHIARFG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
SMILES COC1=C(C=CC(=C1)C=O)O
InChI Key MWOOGOJBHIARFG-UHFFFAOYSA-N
Molecular Formula C8H8O3
Exact Mass 152.047 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-Washington_State_Univ-BML82327
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:18346 chebi
    V55 rcsb_pdb
    CHEMBL13883 chembl
    1213 surechembl
    29354839 surechembl
    1183 pubchem
    6412 gtopdb
    PD010486 probes_and_drugs
    YUHTEA CCDC
    109705 brenda
    109706 brenda
    1167 brenda
    12347 brenda
    12368 brenda
    165057 brenda
    176030 brenda
    235326 brenda
    2713 brenda
    94606 brenda
    V55 pdbe
    CHI530446X fdasrs
    HMDB0012308 hmdb
    Molport-000-165-443 molport
    50177405 bindingdb
    The data in this table is sourced from UniChem at EBI.