Dataset

Dicamba; LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00027505 contains the MS2 mass spectrum of Dicamba with the InChIkey IWEDIXLBFLAXBO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)
SMILES COC1=C(Cl)C=CC(Cl)=C1C(O)=O
InChI Key IWEDIXLBFLAXBO-UHFFFAOYSA-N
Molecular Formula C8H6Cl2O3
Exact Mass 219.969 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-EQ00027505
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MetadataPublished 2024-06-14
Related Molecule
  • 3,6-dichloro-2-methoxybenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:81856 chebi
    D3M rcsb_pdb
    CHEMBL476936 chembl
    18336 surechembl
    29539000 surechembl
    3030 pubchem
    SJG3M6RY6H fdasrs
    PD220620 probes_and_drugs
    CITKEV CCDC
    57083 brenda
    D3M pdbe
    HMDB0251180 hmdb
    The data in this table is sourced from UniChem at EBI.