Dataset

Esmolol; LC-ESI-Q; MS; POS; 15 V, 30 V

This MassBank record with Accession MSBNK-Waters-WA001936 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-WA001936
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
    DTXSID4022995 comptox
    NCT00302692 clinicaltrials
    NCT00348101 clinicaltrials
    NCT00713401 clinicaltrials
    NCT00922467 clinicaltrials
    NCT00959569 clinicaltrials
    NCT01114971 clinicaltrials
    NCT01114997 clinicaltrials
    NCT01171911 clinicaltrials
    NCT01179113 clinicaltrials
    NCT01208402 clinicaltrials
    NCT01231698 clinicaltrials
    NCT01343329 clinicaltrials
    NCT01404767 clinicaltrials
    NCT01431612 clinicaltrials
    NCT01628562 clinicaltrials
    NCT01741519 clinicaltrials
    NCT01752959 clinicaltrials
    NCT01824758 clinicaltrials
    NCT01951950 clinicaltrials
    NCT02062333 clinicaltrials
    NCT02068287 clinicaltrials
    NCT02098629 clinicaltrials
    NCT02120404 clinicaltrials
    NCT02327923 clinicaltrials
    NCT02369900 clinicaltrials
    NCT02455440 clinicaltrials
    NCT02466542 clinicaltrials
    NCT02563288 clinicaltrials
    NCT02609152 clinicaltrials
    NCT02841241 clinicaltrials
    NCT02842983 clinicaltrials
    NCT02844894 clinicaltrials
    NCT02997800 clinicaltrials
    NCT03208257 clinicaltrials
    NCT03347968 clinicaltrials
    NCT03533179 clinicaltrials
    NCT03549923 clinicaltrials
    NCT03612492 clinicaltrials
    NCT03661346 clinicaltrials
    NCT04086940 clinicaltrials
    NCT04181606 clinicaltrials
    NCT04260685 clinicaltrials
    NCT04264286 clinicaltrials
    NCT04356352 clinicaltrials
    NCT04752111 clinicaltrials
    NCT05073094 clinicaltrials
    NCT05635877 clinicaltrials
    NCT05694585 clinicaltrials
    NCT05769868 clinicaltrials
    NCT05850832 clinicaltrials
    NCT06013319 clinicaltrials
    NCT06390748 clinicaltrials
    Molport-005-933-593 molport
    1054 drugcentral
    50404796 bindingdb
    The data in this table is sourced from UniChem at EBI.