Dataset

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

This MassBank record with Accession MSBNK-Eawag-EQ00379501 contains the MS2 mass spectrum of Triazophos with the InChIkey AMFGTOFWMRQMEM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
SMILES CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2
InChI Key AMFGTOFWMRQMEM-UHFFFAOYSA-N
Molecular Formula C12H16N3O3PS
Exact Mass 313.065 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-EQ00379501
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Maintainer
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MetadataPublished 2024-06-14
Related Molecule
  • diethoxy-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C18657 KEGG Ligand
    38963 ChEBI
    CHEMBL1553726 ChEMBL
    ZINC000002014879 ZINC
    J16.809B Nikkaji
    HMDB0259159 Human Metabolome Database
    DTXSID9037612 EPA CompTox Dashboard
    SCHEMBL73598 SureChEMBL
    CB9221130 ChemicalBook
    89197 Brenda
    510299 eMolecules
    24017-47-8 ACToR
    14898964 PubChem: Thomson Pharma
    14850051 PubChem: Thomson Pharma
    WYW PDBe
    6099J8L0EE FDA SRS
    32184 PubChem
    The data in this table is sourced from UniChem at EBI.