Dataset

Ethion; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF402702 contains the MS2 mass spectrum of Ethion with the InChIkey RIZMRRKBZQXFOY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3
SMILES CCOP(=S)(OCC)SCSP(=S)(OCC)OCC
InChI Key RIZMRRKBZQXFOY-UHFFFAOYSA-N
Molecular Formula C9H22O4P2S4
Exact Mass 383.988 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF402702
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Author
Maintainer
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MetadataPublished 2017-01-05
Related Molecule
  • diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    HMDB0252018 Human Metabolome Database
    J3.297B Nikkaji
    DTXSID2024086 EPA CompTox Dashboard
    ZINC000002034740 ZINC
    C18725 KEGG Ligand
    38663 ChEBI
    CHEMBL1713417 ChEMBL
    PD119052 ProbesDrugs
    2TI07NO12Y FDA SRS
    563-12-2 ACToR
    15400753 PubChem: Thomson Pharma
    509812 eMolecules
    3286 PubChem
    20208975 NMRShiftDB
    SCHEMBL26750 SureChEMBL
    The data in this table is sourced from UniChem at EBI.