Dataset

Propoxyphene; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA000277 contains the MS mass spectrum of Propoxyphene with the InChIkey XLMALTXPSGQGBX-GCJKJVERSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m1/s1
SMILES CCC(=O)OC(Cc(c2)cccc2)(c(c1)cccc1)C([H])(C)CN(C)C
InChI Key XLMALTXPSGQGBX-GCJKJVERSA-N
Molecular Formula C22H29NO2
Exact Mass 339.220 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000277
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • [(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00647 drugbank
    CHEBI:51173 chebi
    CHEMBL1213351 chembl
    25405 surechembl
    10100 pubchem
    II2G62OV6F fdasrs
    S2F83W92TK fdasrs
    PD009225 probes_and_drugs
    DEXPRO CCDC
    145068 brenda
    145982 brenda
    844 drugcentral
    82269 bindingdb
    The data in this table is sourced from UniChem at EBI.