Dataset

4'-Methyl-alpha-pyrrolidinopropiophenone; LC-ESI-QTOF; MS2; CE: RAMP 18.7-28.0 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU169906 contains the MS2 mass spectrum of 4'-Methyl-alpha-pyrrolidinopropiophenone with the InChIkey APSJUNFBAXIXLK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H19NO/c1-11-5-7-13(8-6-11)14(16)12(2)15-9-3-4-10-15/h5-8,12H,3-4,9-10H2,1-2H3
SMILES Cc1ccc(cc1)C(=O)C(C)N2CCCC2
InChI Key APSJUNFBAXIXLK-UHFFFAOYSA-N
Molecular Formula C14H19NO
Exact Mass 217.147 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU169906
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MetadataPublished 2016-02-29
Related Molecule
  • 1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:181456 chebi
    17644179 surechembl
    6430745 pubchem
    0TY023967I fdasrs
    PD046498 probes_and_drugs
    The data in this table is sourced from UniChem at EBI.