Dataset

Atenolol

This MassBank record with Accession MSBNK-Waters-WA001318 contains the MS mass spectrum of Atenolol with the InChIkey METKIMKYRPQLGS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
SMILES CC(C)NCC(O)COc(c1)ccc(CC(N)=O)c1
InChI Key METKIMKYRPQLGS-UHFFFAOYSA-N
Molecular Formula C14H22N2O3
Exact Mass 266.163 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-WA001318
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:43.634589
MetadataModified 2024-01-11T22:50:43.784915
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
2249 PubChem
PD001885 ProbesDrugs
LSM-4355 LINCS
29122-68-7 ACToR
14799140 PubChem: Thomson Pharma
SCHEMBL4362 SureChEMBL
PA448499 PharmGKB
60966-51-0 ACToR
atenolol DailyMed
HMDB0001924 Human Metabolome Database
MolPort-001-792-717 MolPort
CB3753116 ChemicalBook
62194 Brenda
533825 eMolecules
27677625 eMolecules
12014149 PubChem: Drugs of the Future
SAM002564193 NIH Clinical Collection
2904 ChEBI
548 Guide to Pharmacology
DB00335 DrugBank
CHEMBL24 ChEMBL
J3.170D Nikkaji
25753 BindingDB
20209081 NMRShiftDB
MCULE-9148694071 Mcule
ATENOLOL DailyMed
TENORMIN rxnorm
ATENOLOL rxnorm
TENORMIN clinicaltrials
ICI 66082 clinicaltrials
ATENOLOL clinicaltrials
HY-17498 MedChemExpress
ICI 66,082 clinicaltrials
ICI-66082 clinicaltrials
50VV3VW0TI FDA SRS
DTXSID2022628 EPA CompTox Dashboard
255 DrugCentral
The data in this table is sourced from UniChem at EBI.