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
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Maintainer
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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
    7153 PubChem
    SCHEMBL53198 SureChEMBL
    93-65-2 ACToR
    7085-19-0 ACToR
    75704 ChEBI
    20040344 NMRShiftDB
    MCULE-5901282849 Mcule
    DTXSID9024194 EPA CompTox Dashboard
    74N8TKR9P8 FDA SRS
    50375464 BindingDB
    HMDB0254398 Human Metabolome Database
    J330.862F Nikkaji
    J3.940C Nikkaji
    CB4374514 ChemicalBook
    500881 eMolecules
    14773420 PubChem: Thomson Pharma
    CB1374513 ChemicalBook
    CHEMBL272942 ChEMBL
    C18742 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.