Dataset

Propranolol; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU110804 contains the MS2 mass spectrum of Propranolol with the InChIkey AQHHHDLHHXJYJD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
SMILES CC(C)NCC(O)COC1=C2C=CC=CC2=CC=C1
InChI Key AQHHHDLHHXJYJD-UHFFFAOYSA-N
Molecular Formula C16H21NO2
Exact Mass 259.157 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-AU110804
Version
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Maintainer
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MetadataPublished 2019-05-30
Related Molecule
  • 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL27 ChEMBL
    DB00571 DrugBank
    C07407 KEGG Ligand
    564 Guide to Pharmacology
    8499 ChEBI
    2303 DrugCentral
    25761 BindingDB
    J6.653B Nikkaji
    DTXSID6023525 EPA CompTox Dashboard
    9Y8NXQ24VQ FDA SRS
    CB63039539 ChemicalBook
    PROPRANOLOL DailyMed
    HEMANGEOL rxnorm
    INNOPRAN rxnorm
    PROPRANOLOL HYDROCHLORIDE rxnorm
    PROPRANOLOL rxnorm
    INDERAL rxnorm
    DERALIN clinicaltrials
    ANAPRILIN clinicaltrials
    INDERAL clinicaltrials
    INDERALICI clinicaltrials
    INNOPRAN clinicaltrials
    OBSIDAN clinicaltrials
    HEMANGEOL clinicaltrials
    HEMANGIOL clinicaltrials
    AVLOCARDYL clinicaltrials
    PROPRANOLOL clinicaltrials
    PROPRANOLOL HYDROCHLORIDE clinicaltrials
    DOCITON clinicaltrials
    BEDRANOL clinicaltrials
    SUMIAL clinicaltrials
    HY-B0573B MedChemExpress
    CB0875381 ChemicalBook
    4946 PubChem
    14823711 PubChem: Thomson Pharma
    60025561 NMRShiftDB
    PD009912 ProbesDrugs
    PA451145 PharmGKB
    13013-17-7 ACToR
    525-66-6 ACToR
    SCHEMBL3955 SureChEMBL
    LSM-4329 LINCS
    735071 eMolecules
    MCULE-7804628650 Mcule
    3905 Brenda
    5606 Brenda
    HMDB0001849 Human Metabolome Database
    propranolol DailyMed
    MTBLC8499 Metabolights
    45500 Brenda
    66047 Brenda
    The data in this table is sourced from UniChem at EBI.