Dataset

bisoprolol; LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-UoB-XB000800 contains the MS2 mass spectrum of bisoprolol with the InChIkey JEAOXXHSOYFPLR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H29NO4/c1-13(2)18-11-15(19)12-22-17-7-5-16(6-8-17)21-10-9-20-14(3)4/h5-8,13-15,18-19H,9-12H2,1-4H3
SMILES CC(C)NCC(COC1=CC=C(C=C1)OCCOC(C)C)O
InChI Key JEAOXXHSOYFPLR-UHFFFAOYSA-N
Molecular Formula C17H29NO4
Exact Mass 311.210 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-UoB-XB000800
Version
Author
Maintainer
Language
MetadataPublished 2023-04-25
Related Molecule
  • 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxy)phenoxy]propan-2-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168476567 PubChem
    The data in this table is sourced from UniChem at EBI.