Dataset

Iprobenfos; LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01127403 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-EQ01127403
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Maintainer
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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
    HY-B1863 MedChemExpress
    ZINC000002013176 ZINC
    DTXSID7058040 EPA CompTox Dashboard
    79737 ChEBI
    J1.878C Nikkaji
    CB4298968 ChemicalBook
    33294 PubChem
    CHEMBL388384 ChEMBL
    C15230 KEGG Ligand
    66091 Brenda
    HMDB0031768 Human Metabolome Database
    OV3YOE2895 FDA SRS
    14824744 PubChem: Thomson Pharma
    SCHEMBL22179 SureChEMBL
    26087-47-8 ACToR
    502043 eMolecules
    The data in this table is sourced from UniChem at EBI.