Dataset

Ethylmorphine

This MassBank record with Accession MSBNK-Waters-WA002938 contains the MS mass spectrum of Ethylmorphine with the InChIkey OGDVEMNWJVYAJL-LEPYJNQMSA-N.

Chemical Info

InChI	InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1
SMILES	CCOc(c5)c(O4)c(c(c5)1)C(C2)(C34)C([H])(C=CC(O)3)C(N(C)C2)C1
InChI Key	OGDVEMNWJVYAJL-LEPYJNQMSA-N
Molecular Formula	C19H23NO3
Exact Mass	313.168 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002938
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:49:40.753778
MetadataModified	2024-01-11T22:49:40.927933
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
PD009487	ProbesDrugs
76-58-4	ACToR
60067800	NMRShiftDB
RWO67D87EU	FDA SRS
5359271	PubChem
20266	Brenda
HMDB0015509	Human Metabolome Database
MTBLC4902	Metabolights
SCHEMBL24971	SureChEMBL
29535171	eMolecules
ZINC000003629718	ZINC
ETHYLMORPHINE HYDROCHLORIDE	rxnorm
3207	DrugCentral
DTXSID1046760	EPA CompTox Dashboard
ETHYLMORPHINE	rxnorm
4902	ChEBI
J4.179C	Nikkaji
OPOQER	CCDC
C07537	KEGG Ligand
DB01466	DrugBank
CHEMBL1712170	ChEMBL
The data in this table is sourced from UniChem at EBI.