Dataset

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

This MassBank record with Accession MSBNK-Eawag-EQ01137605 contains the MS2 mass spectrum of Isofenphos with the InChIkey HOQADATXFBOEGG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)
SMILES CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C
InChI Key HOQADATXFBOEGG-UHFFFAOYSA-N
Molecular Formula C15H24NO4PS
Exact Mass 345.116 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-EQ01137605
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MetadataPublished 2023-04-27
Related Molecule
  • propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:6009 chebi
    CHEMBL1882342 chembl
    26546 surechembl
    32872 pubchem
    0514MAW53A fdasrs
    HMDB0031796 hmdb
    Molport-003-930-904 molport
    The data in this table is sourced from UniChem at EBI.