Dataset

Iprobenfos; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01127404 contains the MS2 mass spectrum of Iprobenfos with the InChIkey FCOAHACKGGIURQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
SMILES CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1
InChI Key FCOAHACKGGIURQ-UHFFFAOYSA-N
Molecular Formula C13H21O3PS
Exact Mass 288.095 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-EQ01127404
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MetadataPublished 2023-04-27
Related Molecule
  • di(propan-2-yloxy)phosphorylsulfanylmethylbenzene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:79737 chebi
    CHEMBL388384 chembl
    11115551 surechembl
    22179 surechembl
    33294 pubchem
    OV3YOE2895 fdasrs
    PD214375 probes_and_drugs
    66091 brenda
    HMDB0031768 hmdb
    Molport-003-931-169 molport
    The data in this table is sourced from UniChem at EBI.