Dataset

Metamitron; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU353803 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(C(=O)N1N)C1=CC=CC=C1
InChI Key VHCNQEUWZYOAEV-UHFFFAOYSA-N
Molecular Formula C10H10N4O
Exact Mass 202.085 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-Athens_Univ-AU353803
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Author
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MetadataPublished 2015-12-09
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.