Dataset

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

This MassBank record with Accession MSBNK-Waters-WA001321 contains the MS mass spectrum of Atenolol with the InChIkey METKIMKYRPQLGS-UHFFFAOYSA-N.

Chemical Information

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-WA001321
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    533825 eMolecules
    27677625 eMolecules
    2249 PubChem
    PD001885 ProbesDrugs
    LSM-4355 LINCS
    29122-68-7 ACToR
    14799140 PubChem: Thomson Pharma
    SCHEMBL4362 SureChEMBL
    PA448499 PharmGKB
    60966-51-0 ACToR
    CB3753116 ChemicalBook
    atenolol DailyMed
    62194 Brenda
    HMDB0001924 Human Metabolome Database
    20209081 NMRShiftDB
    MCULE-9148694071 Mcule
    12014149 PubChem: Drugs of the Future
    DB00335 DrugBank
    CHEMBL24 ChEMBL
    SAM002564193 NIH Clinical Collection
    2904 ChEBI
    548 Guide to Pharmacology
    ATENOLOL DailyMed
    TENORMIN rxnorm
    ATENOLOL rxnorm
    TENORMIN clinicaltrials
    ICI 66082 clinicaltrials
    ATENOLOL clinicaltrials
    25753 BindingDB
    ICI 66,082 clinicaltrials
    ICI-66082 clinicaltrials
    50VV3VW0TI FDA SRS
    DTXSID2022628 EPA CompTox Dashboard
    255 DrugCentral
    J3.170D Nikkaji
    HY-17498 MedChemExpress
    The data in this table is sourced from UniChem at EBI.