Dataset

3-Hydroxykynurenine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00655 contains the MS2 mass spectrum of 3-Hydroxykynurenine with the InChIkey VCKPUUFAIGNJHC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)
SMILES OC(=O)C(N)CC(=O)c(c1)c(N)c(O)cc1
InChI Key VCKPUUFAIGNJHC-UHFFFAOYSA-N
Molecular Formula C10H12N2O4
Exact Mass 224.080 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-FIO00655
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:1547 chebi
    CHEMBL442576 chembl
    180582 surechembl
    29375641 surechembl
    25244175 pubchem
    89 pubchem
    27723548JL fdasrs
    PD046007 probes_and_drugs
    10834 brenda
    177706 brenda
    HMDB0000732 hmdb
    Molport-003-941-616 molport
    The data in this table is sourced from UniChem at EBI.