Dataset

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

This MassBank record with Accession MSBNK-Eawag-EQ00353205 contains the MS2 mass spectrum of Picloram with the InChIkey NQQVFXUMIDALNH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)
SMILES C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N
InChI Key NQQVFXUMIDALNH-UHFFFAOYSA-N
Molecular Formula C6H3Cl3N2O2
Exact Mass 239.926 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-EQ00353205
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MetadataPublished 2024-06-14
Related Molecule
  • 4-amino-3,5,6-trichloropyridine-2-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:34922 chebi
    WOM rcsb_pdb
    CHEMBL461349 chembl
    13299 surechembl
    29388079 surechembl
    15965 pubchem
    O7437X49DW fdasrs
    PD199961 probes_and_drugs
    WOM - Ideal conformer pdbe
    HMDB0256531 hmdb
    Molport-000-478-292 molport
    The data in this table is sourced from UniChem at EBI.