Dataset

Triclopyr; LC-ESI-QFT; MS2; CE: 90%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00294606 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-EQ00294606
Version
Author
Maintainer
Language
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
    CHEBI:9682 chebi
    SBK rcsb_pdb
    CHEMBL1865925 chembl
    29350609 surechembl
    37162 surechembl
    41428 pubchem
    MV06PHJ6I0 fdasrs
    PD210244 probes_and_drugs
    WOHZEA CCDC
    SBK - Ideal conformer pdbe
    HMDB0259186 hmdb
    Molport-003-959-415 molport
    The data in this table is sourced from UniChem at EBI.