Dataset

Meclofenamic acid; LC-ESI-Q; MS; POS; 75 V, 90 V

This MassBank record with Accession MSBNK-Waters-WA001762 contains the MS mass spectrum of Meclofenamic acid with the InChIkey SBDNJUWAMKYJOX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
SMILES OC(=O)c(c2)c(ccc2)Nc(c(Cl)1)c(Cl)c(C)cc1
InChI Key SBDNJUWAMKYJOX-UHFFFAOYSA-N
Molecular Formula C14H11Cl2NO2
Exact Mass 295.017 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-WA001762
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-(2,6-dichloro-3-methylanilino)benzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00939 drugbank
    CHEBI:6710 chebi
    JMS rcsb_pdb
    CHEMBL509 chembl
    106 surechembl
    29373906 surechembl
    29379636 surechembl
    4037 pubchem
    48I5LU4ZWD fdasrs
    JMS pdbe
    7219 gtopdb
    PD009630 probes_and_drugs
    MECLOF CCDC
    14076 brenda
    183346 brenda
    5993 brenda
    HMDB0015074 hmdb
    DTXSID0048559 comptox
    NCT02930005 clinicaltrials
    Molport-006-112-212 molport
    1650 drugcentral
    22971 bindingdb
    The data in this table is sourced from UniChem at EBI.