Dataset

Nimesulide; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01163807 contains the MS2 mass spectrum of Nimesulide with the InChIkey HYWYRSMBCFDLJT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
SMILES CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2
InChI Key HYWYRSMBCFDLJT-UHFFFAOYSA-N
Molecular Formula C13H12N2O5S
Exact Mass 308.047 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-Eawag-EQ01163807
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MetadataPublished 2024-01-16
Related Molecule
  • N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB04743 drugbank
    NIM rcsb_pdb
    CHEMBL56367 chembl
    24882 surechembl
    29393272 surechembl
    4495 pubchem
    V4TKW1454M fdasrs
    NIM pdbe
    7401 gtopdb
    PD001035 probes_and_drugs
    WINWUL CCDC
    184590 brenda
    4345 brenda
    CHEBI:44445 chebi
    HMDB0255611 hmdb
    Molport-003-849-391 molport
    1935 drugcentral
    50056999 bindingdb
    The data in this table is sourced from UniChem at EBI.