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
Version
Author
Maintainer
Language
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
    CHEMBL1595 ChEMBL
    DB01551 DrugBank
    DIHYDROCODEINE clinicaltrials
    DTXSID5022936 EPA CompTox Dashboard
    135276 ChEBI
    886 DrugCentral
    7594 Guide to Pharmacology
    J5.368F Nikkaji
    DIHYDROCODEINE DailyMed
    DIHYDROCODEINE BITARTRATE rxnorm
    DIHYDROCODEINE rxnorm
    DF 118 clinicaltrials
    DIHYDROCODEINE BITARTRATE clinicaltrials
    DIHYDROCODEINE TARTRATE clinicaltrials
    5284543 PubChem
    60067803 NMRShiftDB
    PD009479 ProbesDrugs
    14922962 PubChem: Thomson Pharma
    125-28-0 ACToR
    14751770 PubChem: Thomson Pharma
    N9I9HDB855 FDA SRS
    ZINC000004215736 ZINC
    dihydrocodeine DailyMed
    MTBLC135276 Metabolights
    SCHEMBL24607 SureChEMBL
    The data in this table is sourced from UniChem at EBI.