Dataset

Profenofos; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00379901 contains the MS2 mass spectrum of Profenofos with the InChIkey QYMMJNLHFKGANY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3
SMILES CCCSP(=O)(OCC)OC1=C(C=C(C=C1)Br)Cl
InChI Key QYMMJNLHFKGANY-UHFFFAOYSA-N
Molecular Formula C11H15BrClO3PS
Exact Mass 371.935 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-EQ00379901
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MetadataPublished 2024-06-14
Related Molecule
  • 4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    41198-08-7 ACToR
    CHEMBL2138242 ChEMBL
    15098558 PubChem: Thomson Pharma
    PD157998 ProbesDrugs
    81116-98-5 ACToR
    81123-19-5 ACToR
    SCHEMBL25281 SureChEMBL
    38779 PubChem
    508646 eMolecules
    7528 Brenda
    38845 ChEBI
    C18404 KEGG Ligand
    J15.829A Nikkaji
    7J04O7BS4W FDA SRS
    HY-B0832 MedChemExpress
    DTXSID3032464 EPA CompTox Dashboard
    CB9184781 ChemicalBook
    The data in this table is sourced from UniChem at EBI.