Dataset

Metoprolol; LC-ESI-ITFT; MS2; CE: 80%; R=30000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UA008102 contains the MS2 mass spectrum of Metoprolol with the InChIkey IUBSYMUCCVWXPE-UHFFFAOYSA-N.

InChI	InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
SMILES	CC(C)NCC(COc1ccc(cc1)CCOC)O
InChI Key	IUBSYMUCCVWXPE-UHFFFAOYSA-N
Molecular Formula	C15H25NO3
Exact Mass	267.183 g/mol

Data and Resources

Related Molecule ⌄

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UA008102
Version
Author
Maintainer
Language
MetadataPublished	2017-08-17
Related Molecule	1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB00264	drugbank
CHEBI:6904	chebi
CHEMBL13	chembl
4093	surechembl
4171	pubchem
GEB06NHM23	fdasrs
553	gtopdb
PD010136	probes_and_drugs
114656	brenda
151880	brenda
HMDB0001932	hmdb
115625	bindingdb
115713	bindingdb
115720	bindingdb
116205	bindingdb
156268	bindingdb
156287	bindingdb
156306	bindingdb
187494	bindingdb
187515	bindingdb
187536	bindingdb
46504	bindingdb
46529	bindingdb
46554	bindingdb
50006516	bindingdb
50006518	bindingdb
50028982	bindingdb
50312823	bindingdb
50376283	bindingdb
50376550	bindingdb
50376554	bindingdb
50376609	bindingdb
50376633	bindingdb
50376644	bindingdb
50570534	bindingdb
50609277	bindingdb
50739222	bindingdb
50772673	bindingdb
50773310	bindingdb
50773444	bindingdb
50773607	bindingdb
50809190	bindingdb
50809207	bindingdb
50987830	bindingdb
51148906	bindingdb
51186359	bindingdb
51186362	bindingdb
51291974	bindingdb
51291980	bindingdb
51291999	bindingdb
51312483	bindingdb
51312494	bindingdb
51312505	bindingdb
51312511	bindingdb
Molport-005-938-039	molport
1786	drugcentral
The data in this table is sourced from UniChem at EBI.