Dataset

Clidinium; LC-ESI-QFT; MS2; Ramp 20%-70% (nominal); 30000; [M]+

This MassBank record with Accession MSBNK-ACES_SU-AS001146 contains the MS2 mass spectrum of Clidinium with the InChIkey HOOSGZJRQIVJSZ-UHFFFAOYSA-N.

Chemical Information

Molecular Image
InChI InChI=1S/C22H26NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,25H,12-16H2,1H3/q+1
SMILES C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI Key HOOSGZJRQIVJSZ-UHFFFAOYSA-N
Exact Mass 352.191 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-ACES_SU-AS001146
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MetadataPublished 2025-06-26
Related Molecule
  • (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:95170 chebi
    CHEMBL620 chembl
    14095206 surechembl
    2784 pubchem
    351 gtopdb
    366 gtopdb
    PD009727 probes_and_drugs
    PD132862 probes_and_drugs
    BO76JF850N fdasrs
    DTXSID6045379 comptox
    676 drugcentral
    The data in this table is sourced from UniChem at EBI.