Dataset

Azamethiphos

This MassBank record with Accession MSBNK-Waters-WA000003 contains the MS2 mass spectrum of Azamethiphos with the InChIkey VNKBTWQZTQIWDV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H10ClN2O5PS/c1-15-18(14,16-2)19-5-12-8-7(17-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3
SMILES COP(=O)(OC)SCN(C(=O)1)c(n2)c(cc(Cl)c2)O1
InChI Key VNKBTWQZTQIWDV-UHFFFAOYSA-N
Molecular Formula C9H10ClN2O5PS
Exact Mass 323.974 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-WA000003
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:29.510762
MetadataModified 2024-01-11T22:50:29.668641
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HY-114899 MedChemExpress
DTXSID9034818 EPA CompTox Dashboard
ZINC000001999379 ZINC
J19.719J Nikkaji
MolPort-003-933-316 MolPort
HMDB0248763 Human Metabolome Database
14951110 PubChem: Thomson Pharma
71482 PubChem
SCHEMBL26987 SureChEMBL
9440R8149U FDA SRS
35575-96-3 ACToR
PD013722 ProbesDrugs
11342 Brenda
38578 ChEBI
CHEMBL1867031 ChEMBL
C18702 KEGG Ligand
509540 eMolecules
The data in this table is sourced from UniChem at EBI.