Dataset

Thiacloprid; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF404404 contains the MS2 mass spectrum of Thiacloprid with the InChIkey HOKKPVIRMVDYPB-UHFFFAOYSA-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
SMILES C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl
InChI Key HOKKPVIRMVDYPB-UHFFFAOYSA-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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF404404
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MetadataPublished 2017-01-05
Related Molecule
  • [3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    HMDB0258967 Human Metabolome Database
    ZINC000255976955 ZINC
    39175 ChEBI
    SCHEMBL26491 SureChEMBL
    115224 PubChem
    PD036072 ProbesDrugs
    32176311 eMolecules
    The data in this table is sourced from UniChem at EBI.