Dataset

Thiacloprid

This MassBank record with Accession MSBNK-Eawag-EQ00295409 contains the MS2 mass spectrum of Thiacloprid with the InChIkey HOKKPVIRMVDYPB-UVTDQMKNSA-N.

Chemical Info

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-EQ00295409
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:53:41.222778
MetadataModified 2025-02-09T09:53:41.449549
MetadataPublished 2024-06-14
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.