Dataset

Hymexazol; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00348604 contains the MS2 mass spectrum of Hymexazol with the InChIkey KGVPNLBXJKTABS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)
SMILES CC1=CC(=O)NO1
InChI Key KGVPNLBXJKTABS-UHFFFAOYSA-N
Molecular Formula C4H5NO2
Exact Mass 99.032 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00348604
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MetadataPublished 2024-06-14
Related Molecule
  • 5-methyl-1,2-oxazol-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:5827 chebi
    CHEMBL244877 chembl
    20728 surechembl
    20729 surechembl
    24781 pubchem
    20T2M875LO fdasrs
    NEZNAH CCDC
    Molport-001-761-150 molport
    Molport-001-762-343 molport
    The data in this table is sourced from UniChem at EBI.