Dataset

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

This MassBank record with Accession MSBNK-UFZ-UF403703 contains the MS2 mass spectrum of Prometryn with the InChIkey AAEVYOVXGOFMJO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)
SMILES CSC1=NC(NC(C)C)=NC(NC(C)C)=N1
InChI Key AAEVYOVXGOFMJO-UHFFFAOYSA-N
Molecular Formula C10H19N5S
Exact Mass 241.136 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-UF403703
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MetadataPublished 2017-01-05
Related Molecule
  • 6-methylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:26276 chebi
    CHEMBL1880257 chembl
    7622 surechembl
    4929 pubchem
    1K20TB75IL fdasrs
    PD192940 probes_and_drugs
    DADDIV CCDC
    133730 brenda
    HMDB0256805 hmdb
    Molport-002-043-491 molport
    The data in this table is sourced from UniChem at EBI.