Dataset

Xanthurenic acid; LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00667 contains the MS2 mass spectrum of Xanthurenic acid with the InChIkey FBZONXHGGPHHIY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)
SMILES OC(=O)c(c1)nc(c(O)2)c(ccc2)c(O)1
InChI Key FBZONXHGGPHHIY-UHFFFAOYSA-N
Molecular Formula C10H7NO4
Exact Mass 205.038 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-FIO00667
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MetadataPublished 2016-01-19
Related Molecule
  • 8-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:10072 chebi
    4KL rcsb_pdb
    CHEMBL312535 chembl
    29394132 surechembl
    29911018 surechembl
    379760 surechembl
    4455363 surechembl
    5699 pubchem
    58LAB1BG8J fdasrs
    PD001598 probes_and_drugs
    ZOZSAI CCDC
    30511 brenda
    4289 brenda
    51381 brenda
    HMDB0000881 hmdb
    50715754 bindingdb
    50715774 bindingdb
    50805176 bindingdb
    Molport-001-792-867 molport
    Molport-019-999-046 molport
    The data in this table is sourced from UniChem at EBI.