Dataset

Kynurenic Acid; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00243 contains the MS2 mass spectrum of Kynurenic Acid with the InChIkey HCZHHEIFKROPDY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
SMILES C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O
InChI Key HCZHHEIFKROPDY-UHFFFAOYSA-N
Molecular Formula C10H7NO3
Exact Mass 189.043 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00243
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MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.