Dataset

Mefenamic acid; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-

This MassBank record with Accession MSBNK-UFZ-UF409451 contains the MS2 mass spectrum of Mefenamic acid with the InChIkey HYYBABOKPJLUIN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
SMILES CC1=C(C)C(NC2=CC=CC=C2C(O)=O)=CC=C1
InChI Key HYYBABOKPJLUIN-UHFFFAOYSA-N
Molecular Formula C15H15NO2
Exact Mass 241.110 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-UFZ-UF409451
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MetadataPublished 2017-01-05
Related Molecule
  • 2-(2,3-dimethylanilino)benzoic acid
  • 2-(2,3-dimethylanilino)benzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    591932 eMolecules
    4044 PubChem
    PD001903 ProbesDrugs
    mefenamic acid Atlas
    367589PJ2C FDA SRS
    LSM-4085 LINCS
    14847469 PubChem: Thomson Pharma
    61-68-7 ACToR
    PA450347 PharmGKB
    mefenamic-acid Selleck
    SCHEMBL3544 SureChEMBL
    mefenamic acid DailyMed
    CB5472051 ChemicalBook
    HMDB0014922 Human Metabolome Database
    2086 Brenda
    6717 ChEBI
    MCULE-1031776135 Mcule
    20032693 NMRShiftDB
    DB00784 DrugBank
    2593 Guide to Pharmacology
    CHEMBL686 ChEMBL
    ID8 PDBe
    SAM002554908 NIH Clinical Collection
    C02168 KEGG Ligand
    50134036 BindingDB
    MUPNEQ CCDC
    J2.344B Nikkaji
    ZINC000000020241 ZINC
    1663 DrugCentral
    DTXSID5023243 EPA CompTox Dashboard
    HY-B0574 MedChemExpress
    PONSTEL rxnorm
    PONSTEL clinicaltrials
    MEFENAMIC ACID clinicaltrials
    MEFENAMIC ACID rxnorm
    MEFENAMIC ACID DailyMed
    The data in this table is sourced from UniChem at EBI.