Dataset

Etrimfos; LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01136206 contains the MS2 mass spectrum of Etrimfos with the InChIkey FGIWFCGDPUIBEZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3
SMILES CCC1=NC(=CC(=N1)OP(=S)(OC)OC)OCC
InChI Key FGIWFCGDPUIBEZ-UHFFFAOYSA-N
Molecular Formula C10H17N2O4PS
Exact Mass 292.065 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-EQ01136206
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MetadataPublished 2023-04-27
Related Molecule
  • (6-ethoxy-2-ethylpyrimidin-4-yl)oxy-dimethoxy-sulfanylidene-lambda5-phosphane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    37995 PubChem
    XHX5LWR4ME FDA SRS
    110268218 PubChem: Thomson Pharma
    SCHEMBL116652 SureChEMBL
    38260-54-7 ACToR
    509824 eMolecules
    HMDB0031783 Human Metabolome Database
    206580 Brenda
    C18985 KEGG Ligand
    ZINC000002007826 ZINC
    DTXSID7041964 EPA CompTox Dashboard
    82124 ChEBI
    J3.502E Nikkaji
    CHEMBL1316772 ChEMBL
    CB1281541 ChemicalBook
    The data in this table is sourced from UniChem at EBI.