Dataset

Atenolol-desisopropyl

This MassBank record with Accession MSBNK-Athens_Univ-AU202404 contains the MS2 mass spectrum of Atenolol-desisopropyl with the InChIkey UWMXVJVTKRSOPW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H16N2O3/c12-6-9(14)7-16-10-3-1-8(2-4-10)5-11(13)15/h1-4,9,14H,5-7,12H2,(H2,13,15)
SMILES NCC(O)COC1=CC=C(CC(N)=O)C=C1
InChI Key UWMXVJVTKRSOPW-UHFFFAOYSA-N
Molecular Formula C11H16N2O3
Exact Mass 224.116 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU202404
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:51:16.850019
MetadataModified 2025-02-08T19:20:02.976607
MetadataPublished 2015-12-05
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
17401169 eMolecules
14211540 PubChem
2KY735UG1A FDA SRS
83530 ChEBI
J2.689.283J Nikkaji
MTBLC83530 Metabolights
DTXSID10557479 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.