Dataset

PYRIDOXAL; LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P103401_EF88 contains the MS2 mass spectrum of PYRIDOXAL with the InChIkey RADKZDMFGJYCBB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3
SMILES CC1=NC=C(CO)C(C=O)=C1O
InChI Key RADKZDMFGJYCBB-UHFFFAOYSA-N
Molecular Formula C8H9NO3
Exact Mass 167.058 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P103401_EF88
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MetadataPublished 2021-12-14
Related Molecule
  • 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00147 drugbank
    CHEBI:17310 chebi
    PXL rcsb_pdb
    CHEMBL102970 chembl
    29906 surechembl
    1050 pubchem
    3THM379K8A fdasrs
    PD010202 probes_and_drugs
    608 brenda
    PXL pdbe
    HMDB0001545 hmdb
    Molport-001-792-196 molport
    4134 drugcentral
    50366979 bindingdb
    The data in this table is sourced from UniChem at EBI.