Dataset

PARA-FORMYLBENZOIC ACID; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011270 contains the MS mass spectrum of PARA-FORMYLBENZOIC ACID with the InChIkey GOUHYARYYWKXHS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11)
SMILES O=Cc(c1)ccc(c1)C(O)=O
InChI Key GOUHYARYYWKXHS-UHFFFAOYSA-N
Molecular Formula C8H6O3
Exact Mass 150.032 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-JP011270
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 4-formylbenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:191179 chebi
    CHEMBL113897 chembl
    63361 surechembl
    12088 pubchem
    UES4QRK36E fdasrs
    PD055783 probes_and_drugs
    FORBZA CCDC
    265710 brenda
    2936 brenda
    3089 brenda
    48666 brenda
    HMDB0246430 hmdb
    Molport-000-149-920 molport
    The data in this table is sourced from UniChem at EBI.