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
    DB00586 drugbank
    DIF rcsb_pdb
    CHEMBL139 chembl
    2799 surechembl
    29354260 surechembl
    3033 pubchem
    144O8QL0L1 fdasrs
    2714 gtopdb
    PD009905 probes_and_drugs
    SIKLIH CCDC
    153432 brenda
    154422 brenda
    69451 brenda
    HMDB0014724 hmdb
    Molport-000-003-072 molport
    865 drugcentral
    13066 bindingdb
    The data in this table is sourced from UniChem at EBI.