Dataset

Metamitron; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF401703 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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF401703
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Maintainer
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MetadataPublished 2017-01-05
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
    CHEBI:6791 chebi
    CHEMBL3187145 chembl
    66369 surechembl
    38854 pubchem
    H69RGO1QO6 fdasrs
    PD210507 probes_and_drugs
    LICKOY CCDC
    HMDB0254501 hmdb
    Molport-003-930-911 molport
    The data in this table is sourced from UniChem at EBI.