Dataset

Dihydrocodeine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+Na]+

This MassBank record with Accession MSBNK-Athens_Univ-AU217832 contains the MS2 mass spectrum of Dihydrocodeine with the InChIkey RBOXVHNMENFORY-DNJOTXNNSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1
SMILES CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](CC[C@H]3[C@H]1C5)O)OC
InChI Key RBOXVHNMENFORY-DNJOTXNNSA-N
Molecular Formula C18H23NO3
Exact Mass 301.168 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-AU217832
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Maintainer
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MetadataPublished 2016-02-28
Related Molecule
  • (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01551 drugbank
    CHEBI:135276 chebi
    CHEMBL1595 chembl
    24607 surechembl
    29609919 surechembl
    5284543 pubchem
    N9I9HDB855 fdasrs
    PD009479 probes_and_drugs
    886 drugcentral
    The data in this table is sourced from UniChem at EBI.