Dataset

Morphine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82455 contains the MS mass spectrum of Morphine with the InChIkey BQJCRHHNABKAKU-KBQPJGBKSA-N.

Chemical Info

InChI	InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
SMILES	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O
InChI Key	BQJCRHHNABKAKU-KBQPJGBKSA-N
Molecular Formula	C17H19NO3
Exact Mass	285.136 g/mol

Data and Resources

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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-BML82455
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:16:05.055201
MetadataModified	2025-02-09T20:04:31.513696
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL2997	SureChEMBL
MTBLC17303	Metabolights
1050	Brenda
HMDB0014440	Human Metabolome Database
morphine	DailyMed
ZINC000003812983	ZINC
5288826	PubChem
60059272	NMRShiftDB
PD010118	ProbesDrugs
ARYMO	clinicaltrials
MORPHINE HYDROCHLORIDE TRIHYDRATE	clinicaltrials
morphine	Atlas
14775492	PubChem: Thomson Pharma
57-27-2	ACToR
47106-99-0	ACToR
PA450550	PharmGKB
14897787	PubChem: Thomson Pharma
76I7G6D29C	FDA SRS
6843460	eMolecules
17303	ChEBI
C01516	KEGG Ligand
DB00295	DrugBank
CHEMBL70	ChEMBL
MOI	PDBe
MORPHINE	rxnorm
MORPHABOND	rxnorm
MORPHINE HYDROCHLORIDE	rxnorm
MORPHABOND	clinicaltrials
MORPHINE	clinicaltrials
MORPHINE HYDROCHLORIDE	clinicaltrials
MORPHINE SULFATE	clinicaltrials
MORPHINE SULFATE PENTAHYDRATE	clinicaltrials
KADIAN	clinicaltrials
KAPANOL	clinicaltrials
DEPODUR	clinicaltrials
INFUMORPH	clinicaltrials
DURAMORPH	clinicaltrials
ASTRAMORPH	clinicaltrials
MS CONTIN	clinicaltrials
MST CONTINUS	clinicaltrials
N02AA01	clinicaltrials
ORAMORPH	clinicaltrials
AVINZA	clinicaltrials
229674	Brenda
DTXSID9023336	EPA CompTox Dashboard
1845	DrugCentral
1627	Guide to Pharmacology
J2.323J	Nikkaji
MORPHINE SULFATE	rxnorm
INFUMORPH	rxnorm
DURAMORPH	rxnorm
MS CONTIN	rxnorm
KADIAN	rxnorm
MORPHINE	DailyMed
229673	Brenda
50000092	BindingDB
MORPIN	CCDC
The data in this table is sourced from UniChem at EBI.