Dataset

Thiamethoxam

This MassBank record with Accession MSBNK-Waters-WA000091 contains the MS2 mass spectrum of Thiamethoxam with the InChIkey NWWZPOKUUAIXIW-FLIBITNWSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8-
SMILES O=N(=O)N=C(N(C)2)N(COC2)Cc(c1)sc(Cl)n1
InChI Key NWWZPOKUUAIXIW-FLIBITNWSA-N
Molecular Formula C8H10ClN5O3S
Exact Mass 291.019 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000091
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:47:41.062222
MetadataModified 2024-01-11T22:47:41.218823
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1896251 ChEMBL
50486232 BindingDB
ZINC000031361189 ZINC
60073355 NMRShiftDB
14751356 PubChem: Thomson Pharma
SCHEMBL22917 SureChEMBL
5485188 PubChem
The data in this table is sourced from UniChem at EBI.