Dataset

Phorate; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01138801 contains the MS2 mass spectrum of Phorate with the InChIkey BULVZWIRKLYCBC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3
SMILES CCOP(=S)(OCC)SCSCC
InChI Key BULVZWIRKLYCBC-UHFFFAOYSA-N
Molecular Formula C7H17O2PS3
Exact Mass 260.013 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-EQ01138801
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Maintainer
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MetadataPublished 2023-04-27
Related Molecule
  • diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:38764 chebi
    CHEMBL510014 chembl
    26312 surechembl
    4790 pubchem
    3W54X3W9IV fdasrs
    11918 brenda
    HMDB0062577 hmdb
    The data in this table is sourced from UniChem at EBI.