Dataset

Alprenolol; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA001981 contains the MS mass spectrum of Alprenolol with the InChIkey PAZJSJFMUHDSTF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
SMILES C=CCc(c1)c(ccc1)OCC(O)CNC(C)C
InChI Key PAZJSJFMUHDSTF-UHFFFAOYSA-N
Molecular Formula C15H23NO2
Exact Mass 249.173 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-WA001981
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    563 Guide to Pharmacology
    J8.133G Nikkaji
    137 DrugCentral
    DTXSID0045127 EPA CompTox Dashboard
    MCULE-8135107027 Mcule
    877K5MQ27W FDA SRS
    ALPRENOLOL rxnorm
    HY-B1517 MedChemExpress
    92426 Brenda
    ALPRENOLOL HYDROCHLORIDE rxnorm
    25764 BindingDB
    HMDB0015004 Human Metabolome Database
    CB7874989 ChemicalBook
    PA164750541 PharmGKB
    51211 ChEBI
    DB00866 DrugBank
    CHEMBL266195 ChEMBL
    2119 PubChem
    PD009678 ProbesDrugs
    LSM-1238 LINCS
    15044941 PubChem: Thomson Pharma
    13655-52-2 ACToR
    SCHEMBL34636 SureChEMBL
    The data in this table is sourced from UniChem at EBI.