Dataset

Azamethiphos; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

Chemical Information

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
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    71482 PubChem
    14951110 PubChem: Thomson Pharma
    35575-96-3 ACToR
    SCHEMBL26987 SureChEMBL
    9440R8149U FDA SRS
    PD013722 ProbesDrugs
    509540 eMolecules
    11342 Brenda
    C18702 KEGG Ligand
    38578 ChEBI
    CHEMBL1867031 ChEMBL
    HMDB0248763 Human Metabolome Database
    J19.719J Nikkaji
    HY-114899 MedChemExpress
    ZINC000001999379 ZINC
    DTXSID9034818 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.