Dataset

Tolclofos-methyl; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00354002 contains the MS2 mass spectrum of Tolclofos-methyl with the InChIkey OBZIQQJJIKNWNO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3
SMILES COP(=S)(OC)OC1=C(Cl)C=C(C)C=C1Cl
InChI Key OBZIQQJJIKNWNO-UHFFFAOYSA-N
Molecular Formula C9H11Cl2O3PS
Exact Mass 299.954 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-Eawag-EQ00354002
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MetadataPublished 2024-06-14
Related Molecule
  • (2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C18407 KEGG Ligand
    J1.904F Nikkaji
    HY-B2053 MedChemExpress
    252979 Brenda
    DTXSID0034776 EPA CompTox Dashboard
    CB2451996 ChemicalBook
    ZINC000002555394 ZINC
    SCHEMBL30367 SureChEMBL
    91664 PubChem
    CHEMBL2141416 ChEMBL
    16254191 PubChem: Thomson Pharma
    57018-04-9 ACToR
    PD011975 ProbesDrugs
    G42OQL6F5B FDA SRS
    81731 ChEBI
    501452 eMolecules
    The data in this table is sourced from UniChem at EBI.