Dataset

Codeine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82462 contains the MS mass spectrum of Codeine with the InChIkey OROGSEYTTFOCAN-DNJOTXNNSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H21NO3/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,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1
SMILES CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O
InChI Key OROGSEYTTFOCAN-DNJOTXNNSA-N
Molecular Formula C18H21NO3
Exact Mass 299.152 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML82462
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:23:21.331010
MetadataModified 2024-01-11T22:23:21.530443
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5284371 PubChem
15419416 PubChem: Thomson Pharma
60059368 NMRShiftDB
PD010106 ProbesDrugs
14825207 PubChem: Thomson Pharma
76-57-3 ACToR
SCHEMBL3257 SureChEMBL
PA449088 PharmGKB
UX6OWY2V7J FDA SRS
J4.178E Nikkaji
1673 Guide to Pharmacology
DTXSID2020341 EPA CompTox Dashboard
CODEINE PHOSPHATE clinicaltrials
ZINC000003806721 ZINC
ZZZTSE CCDC
50105098 BindingDB
50019351 BindingDB
CODEINE DailyMed
CODEINE PHOSPHATE rxnorm
CODEINE rxnorm
CODEINE ANHYDROUS rxnorm
CODEINE POLISTIREX rxnorm
CODEINE SULFATE rxnorm
CODEINE clinicaltrials
CODEINE PHOSPHATE HEMIHYDRATE clinicaltrials
CODEINE SULFATE clinicaltrials
725 DrugCentral
codeine DailyMed
2401 Brenda
HMDB0004995 Human Metabolome Database
MTBLC16714 Metabolights
C06174 KEGG Ligand
CHEMBL485 ChEMBL
16714 ChEBI
DB00318 DrugBank
29533921 eMolecules
The data in this table is sourced from UniChem at EBI.