Dataset

Metamitron; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL2311091417 contains the MS2 mass spectrum of Metamitron with the InChIkey VHCNQEUWZYOAEV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3
SMILES CC1=NN=C(c2ccccc2)C(=O)N1N
InChI Key VHCNQEUWZYOAEV-UHFFFAOYSA-N
Molecular Formula C10H10N4O
Exact Mass 202.085 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311091417
Version
Author
Maintainer
Language
MetadataPublished 2023-11-09
Related Molecule
  • 4-amino-3-methyl-6-phenyl-1,2,4-triazin-5-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C10930 KEGG Ligand
    38854 PubChem
    J15.827E Nikkaji
    LICKOY CCDC
    HMDB0254501 Human Metabolome Database
    CHEMBL3187145 ChEMBL
    HY-W014793 MedChemExpress
    MCULE-6654151782 Mcule
    ZINC000000404228 ZINC
    DTXSID7047568 EPA CompTox Dashboard
    CB1399211 ChemicalBook
    41394-05-2 ACToR
    14941049 PubChem: Thomson Pharma
    6791 ChEBI
    SCHEMBL66369 SureChEMBL
    H69RGO1QO6 FDA SRS
    500893 eMolecules
    The data in this table is sourced from UniChem at EBI.