Dataset

Anilofos; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

This MassBank record with Accession MSBNK-Waters-WA000008 contains the MS2 mass spectrum of Anilofos with the InChIkey NXQDBZGWYSEGFL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H19ClNO3PS2/c1-10(2)15(12-7-5-11(14)6-8-12)13(16)9-21-19(20,17-3)18-4/h5-8,10H,9H2,1-4H3
SMILES CC(C)N(C(=O)CSP(=S)(OC)OC)c(c1)ccc(Cl)c1
InChI Key NXQDBZGWYSEGFL-UHFFFAOYSA-N
Molecular Formula C13H19ClNO3PS2
Exact Mass 367.023 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-WA000008
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • N-(4-chlorophenyl)-2-dimethoxyphosphinothioylsulfanyl-N-propan-2-ylacetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C18394 KEGG Ligand
    HMDB0248439 Human Metabolome Database
    J20.612A Nikkaji
    HY-B2016 MedChemExpress
    81728 ChEBI
    ZINC000002243721 ZINC
    DTXSID5058149 EPA CompTox Dashboard
    91687 PubChem
    14755169 PubChem: Thomson Pharma
    64249-01-0 ACToR
    71W48U40S6 FDA SRS
    SCHEMBL36679 SureChEMBL
    502850 eMolecules
    CB6482455 ChemicalBook
    The data in this table is sourced from UniChem at EBI.