Dataset

Mecoprop; LC-ESI-Q; MS; NEG; 15 V

This MassBank record with Accession MSBNK-Waters-WA002596 contains the MS 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 OC(=O)C(C)Oc(c1)c(C)cc(Cl)c1
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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002596
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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
    50864389 bindingdb
    50864394 bindingdb
    50864395 bindingdb
    The data in this table is sourced from UniChem at EBI.