Dataset

14-Hydroxycodeinone; LC-ESI-QTOF; MS2; 120 V

This MassBank record with Accession MSBNK-BAFG-CSL2311095226 contains the MS2 mass spectrum of 14-Hydroxycodeinone with the InChIkey YYCRAERBSFHMPL-FSFXSCMFSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H19NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-6,13,16,21H,7-9H2,1-2H3/t13-,16?,17+,18-/m1/s1
SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C(=O)C=C[C@@]35O
InChI Key YYCRAERBSFHMPL-FSFXSCMFSA-N
Molecular Formula C18H19NO4
Exact Mass 313.131 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311095226
Version
Author
Maintainer
Language
MetadataPublished 2023-11-09
Related Molecule
  • (4R,4aS,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL3125039 SureChEMBL
    5359420 PubChem
    The data in this table is sourced from UniChem at EBI.