Dataset

Phorate Sulfoxide; LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01129408 contains the MS2 mass spectrum of Phorate Sulfoxide with the InChIkey XRQHTUDGPWMPKX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H17O3PS3/c1-4-9-11(12,10-5-2)13-7-14(8)6-3/h4-7H2,1-3H3
SMILES CCOP(=S)(OCC)SCS(=O)CC
InChI Key XRQHTUDGPWMPKX-UHFFFAOYSA-N
Molecular Formula C7H17O3PS3
Exact Mass 276.008 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-EQ01129408
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MetadataPublished 2023-04-27
Related Molecule
  • diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID1042283 EPA CompTox Dashboard
    J7.619H Nikkaji
    2588-03-6 ACToR
    510417 eMolecules
    17424 PubChem
    SCHEMBL1713391 SureChEMBL
    The data in this table is sourced from UniChem at EBI.