Dataset

Mecoprop; LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EA030864 contains the MS2 mass spectrum of Mecoprop with the InChIkey WNTGYJSOUMFZEP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
SMILES CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O
InChI Key WNTGYJSOUMFZEP-UHFFFAOYSA-N
Molecular Formula C10H11ClO3
Exact Mass 214.040 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EA030864
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Maintainer
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MetadataPublished 2014-01-14
Related Molecule
  • 2-(4-chloro-2-methylphenoxy)propanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:75704 chebi
    CHEMBL272942 chembl
    29426474 surechembl
    53198 surechembl
    7153 pubchem
    74N8TKR9P8 fdasrs
    PD176646 probes_and_drugs
    HMDB0254398 hmdb
    50375464 bindingdb
    The data in this table is sourced from UniChem at EBI.