Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU267702 contains the MS2 mass spectrum of Bisoprolol with the InChIkey VHYCDWMUTMEGQY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3
SMILES CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1
InChI Key VHYCDWMUTMEGQY-UHFFFAOYSA-N
Molecular Formula C18H31NO4
Exact Mass 325.225 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-AU267702
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Maintainer
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MetadataPublished 2019-05-30
Related Molecule
  • 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2405 PubChem
    PD009891 ProbesDrugs
    LSM-1886 LINCS
    14951172 PubChem: Thomson Pharma
    PA448641 PharmGKB
    66722-44-9 ACToR
    901481 eMolecules
    bisoprolol DailyMed
    HMDB0014750 Human Metabolome Database
    132707 Brenda
    SCHEMBL20960 SureChEMBL
    MCULE-4376025366 Mcule
    CHEMBL645 ChEMBL
    3127 ChEBI
    DB00612 DrugBank
    C06852 KEGG Ligand
    CB03118896 ChemicalBook
    CB33118897 ChemicalBook
    CB83118892 ChemicalBook
    CB73118895 ChemicalBook
    CB13118893 ChemicalBook
    CB8245445 ChemicalBook
    ZEBETA rxnorm
    MONOCOR clinicaltrials
    BISOPROLOL clinicaltrials
    BISOPROLOL FUMARATE clinicaltrials
    BISOPROLOL HEMIFUMARATE clinicaltrials
    ZEBETA clinicaltrials
    CL 297,939 clinicaltrials
    CL-297939 clinicaltrials
    EMD-33512 clinicaltrials
    HY-129029 MedChemExpress
    CONCOR clinicaltrials
    Y41JS2NL6U FDA SRS
    DTXSID6022682 EPA CompTox Dashboard
    380 DrugCentral
    7129 Guide to Pharmacology
    J32.485J Nikkaji
    25751 BindingDB
    BISOPROLOL DailyMed
    BISOPROLOL FUMARATE rxnorm
    BISOPROLOL rxnorm
    ZIAC rxnorm
    The data in this table is sourced from UniChem at EBI.