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
    J3.706K Nikkaji
    HY-119435 MedChemExpress
    HMDB0259144 Human Metabolome Database
    81978 ChEBI
    ZINC000001590916 ZINC
    DTXSID5024344 EPA CompTox Dashboard
    CB1745421 ChemicalBook
    CHEMBL1884767 ChEMBL
    C18813 KEGG Ligand
    5543 PubChem
    2303-17-5 ACToR
    14898592 PubChem: Thomson Pharma
    LSM-25662 LINCS
    A9S097HS99 FDA SRS
    510295 eMolecules
    SCHEMBL62793 SureChEMBL
    The data in this table is sourced from UniChem at EBI.