Dataset

Metamitron desamino; LC-ESI-ITFT; MS2; CE: 80%; R=30000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UA008202 contains the MS2 mass spectrum of Metamitron desamino with the InChIkey OUSYWCQYMPDAEO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H9N3O/c1-7-11-10(14)9(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,14)
SMILES Cc1nc(c(nn1)c2ccccc2)O
InChI Key OUSYWCQYMPDAEO-UHFFFAOYSA-N
Molecular Formula C10H9N3O
Exact Mass 187.075 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-UA008202
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Maintainer
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MetadataPublished 2017-08-17
Related Molecule
  • 3-methyl-6-phenyl-2H-1,2,4-triazin-5-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    36993-94-9 ACToR
    SCHEMBL10436160 SureChEMBL
    83447 ChEBI
    5678111 eMolecules
    32193528 eMolecules
    J861.587J Nikkaji
    ZINC000003881048 ZINC
    DTXSID30190483 EPA CompTox Dashboard
    MTBLC83447 Metabolights
    135413636 PubChem
    MCULE-5647197839 Mcule
    The data in this table is sourced from UniChem at EBI.