Dataset

Diclofenac; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU114704 contains the MS2 mass spectrum of Diclofenac with the InChIkey DCOPUUMXTXDBNB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
SMILES c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl
InChI Key DCOPUUMXTXDBNB-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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU114704
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MetadataPublished 2015-09-23
Related Molecule
  • 2-[2-(2,6-dichloroanilino)phenyl]acetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL139 ChEMBL
    2714 Guide to Pharmacology
    DIF PDBe
    C01690 KEGG Ligand
    ZINC000000001281 ZINC
    13066 BindingDB
    ZORVOLEX rxnorm
    PENNSAID rxnorm
    DICLOFENAC POTASSIUM rxnorm
    ZIPSOR rxnorm
    VOLTAREN rxnorm
    ARTHROTEC rxnorm
    DICLOFENAC SODIUM rxnorm
    LICART rxnorm
    DYLOJECT rxnorm
    CATAFLAM rxnorm
    SOLARAZE rxnorm
    DICLOFENAC EPOLAMINE rxnorm
    CAMBIA rxnorm
    FLECTOR rxnorm
    DICLOFENAC rxnorm
    DICLOFENAC clinicaltrials
    DICLOFENAC EPOLAMINE clinicaltrials
    DICLOFENAC POTASSIUM clinicaltrials
    DICLOFENAC SODIUM clinicaltrials
    CAMBIA clinicaltrials
    FLECTOR clinicaltrials
    PENNSAID clinicaltrials
    ABITREN clinicaltrials
    VOLTAREN clinicaltrials
    DYLOJECT clinicaltrials
    SOLARAZE clinicaltrials
    NOVAPIRINA clinicaltrials
    LAS-41007 clinicaltrials
    LAS41007 clinicaltrials
    CATAFLAM clinicaltrials
    ZIPSOR clinicaltrials
    HY-15036 MedChemExpress
    DTXSID6022923 EPA CompTox Dashboard
    865 DrugCentral
    J8.557J Nikkaji
    SIKLIH CCDC
    DICLOFENAC DailyMed
    DB00586 DrugBank
    47381 ChEBI
    MCULE-1824024270 Mcule
    20242371 NMRShiftDB
    SCHEMBL2799 SureChEMBL
    153432 Brenda
    154422 Brenda
    69451 Brenda
    HMDB0014724 Human Metabolome Database
    diclofenac DailyMed
    CB5225367 ChemicalBook
    3033 PubChem
    PD009905 ProbesDrugs
    LICART clinicaltrials
    14873560 PubChem: Thomson Pharma
    144O8QL0L1 FDA SRS
    LSM-2160 LINCS
    15307-86-5 ACToR
    PA449293 PharmGKB
    diclofenac Atlas
    901753 eMolecules
    The data in this table is sourced from UniChem at EBI.