Dataset

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

This MassBank record with Accession MSBNK-ACES_SU-AS001198 contains the MS2 mass spectrum of Piperidolate with the InChIkey KTHVBAZBLKXIHZ-UHFFFAOYSA-N.

Chemical Information

Molecular Image
InChI InChI=1S/C21H25NO2/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3
SMILES CCN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI Key KTHVBAZBLKXIHZ-UHFFFAOYSA-N
Exact Mass 323.189 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-AS001198
Version
Author
Maintainer
Language
MetadataPublished 2025-06-26
Related Molecule
  • (1-ethylpiperidin-3-yl) 2,2-diphenylacetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB13351 drugbank
    CHEBI:91986 chebi
    CHEMBL1623992 chembl
    249131 surechembl
    4839 pubchem
    RJO31255V9 fdasrs
    PD013164 probes_and_drugs
    DTXSID7048164 comptox
    Molport-004-964-841 molport
    2190 drugcentral
    82378 bindingdb
    The data in this table is sourced from UniChem at EBI.