Dataset

Metribuzin-desamino; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU206501 contains the MS2 mass spectrum of Metribuzin-desamino with the InChIkey MIWRSUQXSCLDNV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H13N3OS/c1-8(2,3)5-6(12)9-7(13-4)11-10-5/h1-4H3,(H,9,11,12)
SMILES CSC1=NC(=O)C(=NN1)C(C)(C)C
InChI Key MIWRSUQXSCLDNV-UHFFFAOYSA-N
Molecular Formula C8H13N3OS
Exact Mass 199.078 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-AU206501
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Author
Maintainer
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MetadataPublished 2015-12-05
Related Molecule
  • 6-tert-butyl-3-methylsulfanyl-2H-1,2,4-triazin-5-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15731601 eMolecules
    182534 ChEBI
    DTXSID0052839 EPA CompTox Dashboard
    135502804 PubChem
    ZINC000004624403 ZINC
    CHEMBL3561702 ChEMBL
    SCHEMBL11059491 SureChEMBL
    MCULE-4945409051 Mcule
    J124.926F Nikkaji
    XEMROA CCDC
    The data in this table is sourced from UniChem at EBI.