Dataset

Quinolinic acid; LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00680 contains the MS2 mass spectrum of Quinolinic acid with the InChIkey GJAWHXHKYYXBSV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
SMILES OC(=O)c(c1)c(ncc1)C(O)=O
InChI Key GJAWHXHKYYXBSV-UHFFFAOYSA-N
Molecular Formula C7H5NO4
Exact Mass 167.022 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00680
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MetadataPublished 2016-01-19
Related Molecule
  • pyridine-2,3-dicarboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01796 drugbank
    CHEBI:16675 chebi
    NTM rcsb_pdb
    CHEMBL286204 chembl
    29356188 surechembl
    69230 surechembl
    1066 pubchem
    F6F0HK1URN fdasrs
    PD001385 probes_and_drugs
    QUICNA CCDC
    106051 brenda
    170196 brenda
    1765 brenda
    18291 brenda
    189629 brenda
    2500 brenda
    43019 brenda
    9253 brenda
    HMDB0000232 hmdb
    Molport-000-140-640 molport
    26115 bindingdb
    The data in this table is sourced from UniChem at EBI.