Dataset

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

This MassBank record with Accession MSBNK-Eawag-EQ01131804 contains the MS2 mass spectrum of Trichlorfon with the InChIkey NFACJZMKEDPNKN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3
SMILES COP(=O)(C(C(Cl)(Cl)Cl)O)OC
InChI Key NFACJZMKEDPNKN-UHFFFAOYSA-N
Molecular Formula C4H8Cl3O4P
Exact Mass 255.923 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-EQ01131804
Version
Author
Maintainer
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MetadataPublished 2023-04-27
Related Molecule
  • 2,2,2-trichloro-1-dimethoxyphosphorylethanol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    30480 Brenda
    CB7472545 ChemicalBook
    11343 Brenda
    30096993 NMRShiftDB
    MCULE-8125791587 Mcule
    SCHEMBL15972 SureChEMBL
    5853 PubChem
    PD000287 ProbesDrugs
    14823656 PubChem: Thomson Pharma
    52-68-6 ACToR
    37333-09-8 ACToR
    LSM-4995 LINCS
    510301 eMolecules
    50286920 BindingDB
    TRICHLORFON rxnorm
    1787 DrugCentral
    37VCQ9C0OG FDA SRS
    1MVY4KU98F FDA SRS
    DBF2DG4G2K FDA SRS
    HMDB0254686 Human Metabolome Database
    DTXSID0021389 EPA CompTox Dashboard
    J2.309D Nikkaji
    DB11473 DrugBank
    CHEMBL167150 ChEMBL
    C07971 KEGG Ligand
    12014500 PubChem: Drugs of the Future
    6908 ChEBI
    The data in this table is sourced from UniChem at EBI.