Dataset

Esmolol; LC-ESI-Q; MS; POS; 45 V

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

Chemical Information

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
MetadataPublished 2016-01-19
Related Molecule
  • methyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB6454935 ChemicalBook
    ESMOLOL HYDROCHLORIDE rxnorm
    BREVIBLOC clinicaltrials
    ASL-8052 clinicaltrials
    ESMOLOL clinicaltrials
    ESMOLOL HYDROCHLORIDE clinicaltrials
    MDY902UXSR FDA SRS
    DTXSID4022995 EPA CompTox Dashboard
    1054 DrugCentral
    7178 Guide to Pharmacology
    J32.840E Nikkaji
    50404796 BindingDB
    ESMOLOL DailyMed
    ESMOLOL rxnorm
    BREVIBLOC rxnorm
    CB3454934 ChemicalBook
    LSM-4957 LINCS
    217392 Brenda
    88206 ChEBI
    DB00187 DrugBank
    CHEMBL768 ChEMBL
    C06980 KEGG Ligand
    103598-03-4 ACToR
    81147-92-4 ACToR
    PD010181 ProbesDrugs
    SCHEMBL3605 SureChEMBL
    59768 PubChem
    14825011 PubChem: Thomson Pharma
    901849 eMolecules
    HMDB0014333 Human Metabolome Database
    PA449500 PharmGKB
    esmolol DailyMed
    The data in this table is sourced from UniChem at EBI.