Dataset

2,4-Dichlorophenoxyacetic acid; LC-ESI-QFT; MS2; CE: 120%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ00026757 contains the MS2 mass spectrum of 2,4-Dichlorophenoxyacetic acid with the InChIkey OVSKIKFHRZPJSS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
SMILES OC(=O)COC1=C(Cl)C=C(Cl)C=C1
InChI Key OVSKIKFHRZPJSS-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-EQ00026757
Version
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Maintainer
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MetadataPublished 2024-06-14
Related Molecule
  • 2-(2,4-dichlorophenoxy)acetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:28854 chebi
    CFA rcsb_pdb
    CHEMBL367623 chembl
    27783 surechembl
    1486 pubchem
    2577AQ9262 fdasrs
    PD021395 probes_and_drugs
    CPXACA CCDC
    109417 brenda
    114571 brenda
    181844 brenda
    183119 brenda
    184407 brenda
    184408 brenda
    184409 brenda
    184410 brenda
    184411 brenda
    184412 brenda
    184413 brenda
    184414 brenda
    184415 brenda
    184416 brenda
    184417 brenda
    184418 brenda
    184419 brenda
    184420 brenda
    184421 brenda
    184422 brenda
    220382 brenda
    29340 brenda
    44039 brenda
    5092 brenda
    CFA - Ideal conformer pdbe
    HMDB0041797 hmdb
    Molport-000-454-068 molport
    50486213 bindingdb
    The data in this table is sourced from UniChem at EBI.