Dataset

Bisoprolol

This MassBank record with Accession MSBNK-Waters-WA000929 contains the MS mass spectrum of Bisoprolol with the InChIkey VHYCDWMUTMEGQY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3
SMILES CC(C)OCCOCc(c1)ccc(OCC(O)CNC(C)C)c1
InChI Key VHYCDWMUTMEGQY-UHFFFAOYSA-N
Molecular Formula C18H31NO4
Exact Mass 325.225 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000929
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:28.775754
MetadataModified 2024-01-11T22:48:28.943810
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
2405 PubChem
PD009891 ProbesDrugs
LSM-1886 LINCS
66722-44-9 ACToR
PA448641 PharmGKB
14951172 PubChem: Thomson Pharma
SCHEMBL20960 SureChEMBL
MCULE-4376025366 Mcule
bisoprolol DailyMed
CB33118897 ChemicalBook
CB03118896 ChemicalBook
CB83118892 ChemicalBook
CB13118893 ChemicalBook
CB8245445 ChemicalBook
CB73118895 ChemicalBook
HMDB0014750 Human Metabolome Database
132707 Brenda
901481 eMolecules
CHEMBL645 ChEMBL
3127 ChEBI
DB00612 DrugBank
C06852 KEGG Ligand
Y41JS2NL6U FDA SRS
7129 Guide to Pharmacology
J32.485J Nikkaji
HY-129029 MedChemExpress
EMD-33512 clinicaltrials
CL-297939 clinicaltrials
CL 297,939 clinicaltrials
ZEBETA clinicaltrials
CONCOR clinicaltrials
BISOPROLOL HEMIFUMARATE clinicaltrials
BISOPROLOL FUMARATE clinicaltrials
BISOPROLOL clinicaltrials
MONOCOR clinicaltrials
ZIAC rxnorm
BISOPROLOL rxnorm
BISOPROLOL FUMARATE rxnorm
ZEBETA rxnorm
BISOPROLOL DailyMed
25751 BindingDB
DTXSID6022682 EPA CompTox Dashboard
380 DrugCentral
The data in this table is sourced from UniChem at EBI.