Dataset

Acebutolol; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU228158 contains the MS2 mass spectrum of Acebutolol with the InChIkey GOEMGAFJFRBGGG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)
SMILES CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O
InChI Key GOEMGAFJFRBGGG-UHFFFAOYSA-N
Molecular Formula C18H28N2O4
Exact Mass 336.205 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-Athens_Univ-AU228158
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Maintainer
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MetadataPublished 2018-12-20
Related Molecule
  • N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01193 drugbank
    CHEBI:2379 chebi
    CHEMBL642 chembl
    29356808 surechembl
    3772 surechembl
    1978 pubchem
    67P356D8GH fdasrs
    7107 gtopdb
    PD009749 probes_and_drugs
    115127 brenda
    HMDB0015324 hmdb
    Molport-003-844-375 molport
    40 drugcentral
    25755 bindingdb
    The data in this table is sourced from UniChem at EBI.