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
    6710 ChEBI
    20032692 NMRShiftDB
    PA450341 PharmGKB
    HMDB0015074 Human Metabolome Database
    5993 Brenda
    14076 Brenda
    4037 PubChem
    PD009630 ProbesDrugs
    48I5LU4ZWD FDA SRS
    JMS PDBe
    14800267 PubChem: Thomson Pharma
    644-62-2 ACToR
    SCHEMBL106 SureChEMBL
    LSM-3108 LINCS
    5753451 eMolecules
    J7.065C Nikkaji
    CB7875562 ChemicalBook
    MECLOFENAMIC ACID clinicaltrials
    MECLOFENAMATE SODIUM clinicaltrials
    HY-117275 MedChemExpress
    DTXSID0048559 EPA CompTox Dashboard
    1650 DrugCentral
    ZINC000000001655 ZINC
    7219 Guide to Pharmacology
    MECLOF CCDC
    22971 BindingDB
    MECLOFENAMIC ACID DailyMed
    MECLOFENAMATE SODIUM rxnorm
    MECLOFENAMIC ACID rxnorm
    MECLOFENAMATE rxnorm
    MECLOMEN clinicaltrials
    DB00939 DrugBank
    CHEMBL509 ChEMBL
    C07117 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.