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
    CHEMBL113897 ChEMBL
    J95.030K Nikkaji
    HMDB0246430 Human Metabolome Database
    FORBZA CCDC
    2936 Brenda
    ZINC000000151786 ZINC
    DTXSID3027249 EPA CompTox Dashboard
    SCHEMBL63361 SureChEMBL
    MTBLC191179 Metabolights
    12088 PubChem
    PD055783 ProbesDrugs
    191179 ChEBI
    619-66-9 ACToR
    14747882 PubChem: Thomson Pharma
    479789 eMolecules
    3089 Brenda
    CB7702071 ChemicalBook
    48666 Brenda
    UES4QRK36E FDA SRS
    20096809 NMRShiftDB
    MCULE-2960554549 Mcule
    The data in this table is sourced from UniChem at EBI.