Dataset

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

This MassBank record with Accession MSBNK-Eawag-EQ00295402 contains the MS2 mass spectrum of Thiacloprid with the InChIkey HOKKPVIRMVDYPB-UVTDQMKNSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-
SMILES ClC1=CC=C(CN2CCS\C2=N/C#N)C=N1
InChI Key HOKKPVIRMVDYPB-UVTDQMKNSA-N
Molecular Formula C10H9ClN4S
Exact Mass 252.024 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-EQ00295402
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MetadataPublished 2024-06-14
Related Molecule
  • nfdi4chem-mol48265(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    URAXOB CCDC
    J1.459.101J Nikkaji
    50251868 BindingDB
    HY-B1953 MedChemExpress
    DTXSID7034961 EPA CompTox Dashboard
    CHEMBL451432 ChEMBL
    DB08620 DrugBank
    TH4 PDBe
    39176 ChEBI
    C18512 KEGG Ligand
    PD004273 ProbesDrugs
    DSV3A944A4 FDA SRS
    14823507 PubChem: Thomson Pharma
    111988-49-9 ACToR
    SCHEMBL26490 SureChEMBL
    134795 Brenda
    ZINC000013828082 ZINC
    The data in this table is sourced from UniChem at EBI.