Dataset

Sulfotep; LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01140115 contains the MS2 mass spectrum of Sulfotep with the InChIkey XIUROWKZWPIAIB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3
SMILES CCOP(=S)(OCC)OP(=S)(OCC)OCC
InChI Key XIUROWKZWPIAIB-UHFFFAOYSA-N
Molecular Formula C8H20O5P2S2
Exact Mass 322.023 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01140115
Version
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Maintainer
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MetadataPublished 2023-04-27
Related Molecule
  • diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-lambda5-phosphane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB11497 drugbank
    CHEBI:38945 chebi
    CHEMBL3182477 chembl
    35637 surechembl
    19395 pubchem
    V41BK2EE8X fdasrs
    PD124852 probes_and_drugs
    130568 brenda
    HMDB0258605 hmdb
    Molport-001-837-633 molport
    The data in this table is sourced from UniChem at EBI.