Dataset

Triclopyr; LC-ESI-QFT; MS2; CE: 180%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00294609 contains the MS2 mass spectrum of Triclopyr with the InChIkey REEQLXCGVXDJSQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)
SMILES OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=N1
InChI Key REEQLXCGVXDJSQ-UHFFFAOYSA-N
Molecular Formula C7H4Cl3NO3
Exact Mass 254.926 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-EQ00294609
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MetadataPublished 2024-06-14
Related Molecule
  • 2-(3,5,6-trichloropyridin-2-yl)oxyacetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000000900723 ZINC
    41428 PubChem
    15196918 PubChem: Thomson Pharma
    MV06PHJ6I0 FDA SRS
    SCHEMBL37162 SureChEMBL
    55335-06-3 ACToR
    501772 eMolecules
    HMDB0259186 Human Metabolome Database
    9682 ChEBI
    J1.901A Nikkaji
    HY-B2051 MedChemExpress
    WOHZEA CCDC
    SBK PDBe
    DTXSID0032497 EPA CompTox Dashboard
    CB4666264 ChemicalBook
    CHEMBL1865925 ChEMBL
    C11032 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.