Dataset

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

This MassBank record with Accession MSBNK-Eawag-EQ00026156 contains the MS2 mass spectrum of MCPA with the InChIkey WHKUVVPPKQRRBV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
SMILES CC1=C(OCC(O)=O)C=CC(Cl)=C1
InChI Key WHKUVVPPKQRRBV-UHFFFAOYSA-N
Molecular Formula C9H9ClO3
Exact Mass 200.024 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-EQ00026156
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MetadataPublished 2024-06-14
Related Molecule
  • 2-(4-chloro-2-methylphenoxy)acetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:50099 chebi
    CHEMBL394657 chembl
    117877 surechembl
    7204 pubchem
    D888C394VO fdasrs
    PD157997 probes_and_drugs
    CMPHAA CCDC
    HMDB0254366 hmdb
    Molport-000-252-821 molport
    50213927 bindingdb
    The data in this table is sourced from UniChem at EBI.