Dataset

Phenthoate; LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01129205 contains the MS2 mass spectrum of Phenthoate with the InChIkey XAMUDJHXFNRLCY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3
SMILES CCOC(=O)C(C1=CC=CC=C1)SP(=S)(OC)OC
InChI Key XAMUDJHXFNRLCY-UHFFFAOYSA-N
Molecular Formula C12H17O4PS2
Exact Mass 320.031 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-EQ01129205
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MetadataPublished 2023-04-27
Related Molecule
  • ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:34917 chebi
    CHEMBL1476858 chembl
    27217 surechembl
    17435 pubchem
    J96Q7F091K fdasrs
    PD206371 probes_and_drugs
    HMDB0256420 hmdb
    Molport-003-959-411 molport
    The data in this table is sourced from UniChem at EBI.