Dataset

Quinolinic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

This MassBank record with Accession MSBNK-Keio_Univ-KO001705 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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO001705
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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
    No additional information available for this Dataset.