Dataset

Fenpropidin; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU258904 contains the MS2 mass spectrum of Fenpropidin with the InChIkey MGNFYQILYYYUBS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3
SMILES CC(CN1CCCCC1)CC1=CC=C(C=C1)C(C)(C)C
InChI Key MGNFYQILYYYUBS-UHFFFAOYSA-N
Molecular Formula C19H31N
Exact Mass 273.246 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-Athens_Univ-AU258904
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MetadataPublished 2019-05-29
Related Molecule
  • 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB12728 drugbank
    CHEBI:83291 chebi
    CHEMBL1889041 chembl
    21278 surechembl
    91694 pubchem
    845XW54F31 fdasrs
    PD058790 probes_and_drugs
    8401 brenda
    HMDB0252217 hmdb
    Molport-003-933-615 molport
    50487255 bindingdb
    The data in this table is sourced from UniChem at EBI.