Dataset

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

This MassBank record with Accession MSBNK-ACES_SU-AS001095 contains the MS2 mass spectrum of Pipenzolate with the InChIkey WPUKUEMZZRVAKZ-UHFFFAOYSA-N.

Chemical Information

Molecular Image
InChI InChI=1S/C22H28NO3/c1-3-23(2)16-10-15-20(17-23)26-21(24)22(25,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20,25H,3,10,15-17H2,1-2H3/q+1
SMILES CC[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C
InChI Key WPUKUEMZZRVAKZ-UHFFFAOYSA-N
Exact Mass 354.207 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-AS001095
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MetadataPublished 2025-06-26
Related Molecule
  • (1-ethyl-1-methylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB13844 drugbank
    CHEBI:95178 chebi
    CHEMBL1619528 chembl
    25957021 surechembl
    4832 pubchem
    RS3K5YXV34 fdasrs
    PD013303 probes_and_drugs
    DTXSID9048481 comptox
    2185 drugcentral
    The data in this table is sourced from UniChem at EBI.