Dataset

Hippuric acid; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81396 contains the MS mass spectrum of Hippuric acid with the InChIkey QIAFMBKCNZACKA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
SMILES C1=CC=C(C=C1)C(=O)NCC(=O)O
InChI Key QIAFMBKCNZACKA-UHFFFAOYSA-N
Molecular Formula C9H9NO3
Exact Mass 179.058 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-BML81396
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-benzamidoacetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB16842 drugbank
    CHEBI:18089 chebi
    GZB rcsb_pdb
    CHEMBL461 chembl
    7486 surechembl
    464 pubchem
    TE0865N2ET fdasrs
    PD014558 probes_and_drugs
    HIPPAC CCDC
    11903 brenda
    1204 brenda
    141336 brenda
    15646 brenda
    177931 brenda
    181972 brenda
    244412 brenda
    2828 brenda
    3208 brenda
    44567 brenda
    6000 brenda
    HMDB0000714 hmdb
    Molport-000-182-644 molport
    50009999 bindingdb
    The data in this table is sourced from UniChem at EBI.