Dataset

Triclopyr; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

This MassBank record with Accession MSBNK-Waters-WA000226 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)COc(n1)c(Cl)cc(Cl)c(Cl)1
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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000226
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Maintainer
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MetadataPublished 2016-01-19
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.