Dataset

Atenolol; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF407604 contains the MS2 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)COC1=CC=C(CC(N)=O)C=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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF407604
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Maintainer
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MetadataPublished 2017-01-05
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
    DB00335 drugbank
    CHEBI:2904 chebi
    CHEMBL24 chembl
    4362 surechembl
    2249 pubchem
    50VV3VW0TI fdasrs
    548 gtopdb
    PD001885 probes_and_drugs
    62194 brenda
    HMDB0001924 hmdb
    Molport-001-792-717 molport
    Molport-002-507-840 molport
    255 drugcentral
    25753 bindingdb
    The data in this table is sourced from UniChem at EBI.