Dataset

Tolperison; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01099701 contains the MS2 mass spectrum of Tolperison with the InChIkey FSKFPVLPFLJRQB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3
SMILES CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2
InChI Key FSKFPVLPFLJRQB-UHFFFAOYSA-N
Molecular Formula C16H23NO
Exact Mass 245.178 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-EQ01099701
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MetadataPublished 2024-06-14
Related Molecule
  • 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB06264 drugbank
    CHEBI:93835 chebi
    CHEMBL1076211 chembl
    148499 surechembl
    5511 pubchem
    F5EOM0LD8E fdasrs
    PD014588 probes_and_drugs
    Molport-005-933-637 molport
    2703 drugcentral
    442744 bindingdb
    The data in this table is sourced from UniChem at EBI.