Dataset

Esmolol; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA001933 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-WA001933
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
    DB00187 drugbank
    CHEBI:88206 chebi
    CHEMBL768 chembl
    3605 surechembl
    59768 pubchem
    MDY902UXSR fdasrs
    7178 gtopdb
    PD010181 probes_and_drugs
    217392 brenda
    HMDB0014333 hmdb
    Molport-005-933-593 molport
    1054 drugcentral
    50404796 bindingdb
    The data in this table is sourced from UniChem at EBI.