Dataset

Esmolol

This MassBank record with Accession MSBNK-Waters-WA001935 contains the MS mass spectrum of Esmolol with the InChIkey AQNDDEOPVVGCPG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3
SMILES COC(=O)CCc(c1)ccc(OCC(O)CNC(C)C)c1
InChI Key AQNDDEOPVVGCPG-UHFFFAOYSA-N
Molecular Formula C16H25NO4
Exact Mass 295.178 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-WA001935
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:34.389739
MetadataModified 2024-01-11T22:50:34.574358
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MolPort-005-933-593 MolPort
PA449500 PharmGKB
HMDB0014333 Human Metabolome Database
88206 ChEBI
217392 Brenda
LSM-4957 LINCS
esmolol DailyMed
103598-03-4 ACToR
81147-92-4 ACToR
PD010181 ProbesDrugs
59768 PubChem
14825011 PubChem: Thomson Pharma
SCHEMBL3605 SureChEMBL
CHEMBL768 ChEMBL
C06980 KEGG Ligand
DB00187 DrugBank
901849 eMolecules
7178 Guide to Pharmacology
50404796 BindingDB
J32.840E Nikkaji
ESMOLOL DailyMed
ESMOLOL HYDROCHLORIDE rxnorm
CB3454934 ChemicalBook
CB6454935 ChemicalBook
BREVIBLOC clinicaltrials
ASL-8052 clinicaltrials
ESMOLOL clinicaltrials
ESMOLOL HYDROCHLORIDE clinicaltrials
MDY902UXSR FDA SRS
ESMOLOL rxnorm
BREVIBLOC rxnorm
1054 DrugCentral
DTXSID4022995 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.