Dataset

Triallate; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU262702 contains the MS2 mass spectrum of Triallate with the InChIkey MWBPRDONLNQCFV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3
SMILES CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl
InChI Key MWBPRDONLNQCFV-UHFFFAOYSA-N
Molecular Formula C10H16Cl3NOS
Exact Mass 303.002 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-Athens_Univ-AU262702
Version
Author
Maintainer
Language
MetadataPublished 2019-05-30
Related Molecule
  • S-(2,3,3-trichloroprop-2-enyl) N,N-di(propan-2-yl)carbamothioate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:81978 chebi
    CHEMBL1884767 chembl
    62793 surechembl
    5543 pubchem
    PD213780 probes_and_drugs
    A9S097HS99 fdasrs
    HMDB0259144 hmdb
    Molport-001-824-495 molport
    The data in this table is sourced from UniChem at EBI.