Dataset

Labetalol; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA001275 contains the MS mass spectrum of Labetalol with the InChIkey SGUAFYQXFOLMHL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)
SMILES CC(CCc(c2)cccc2)NCC(O)c(c1)cc(C(N)=O)c(O)c1
InChI Key SGUAFYQXFOLMHL-UHFFFAOYSA-N
Molecular Formula C19H24N2O3
Exact Mass 328.179 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-WA001275
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00598 DrugBank
    CHEMBL429 ChEMBL
    C07063 KEGG Ligand
    CB7735086 ChemicalBook
    236892 Brenda
    25758 BindingDB
    TRANDATE rxnorm
    LABETALOL HYDROCHLORIDE rxnorm
    LABETALOL rxnorm
    NORMODYNE clinicaltrials
    LABETALOL clinicaltrials
    LABETALOL HYDROCHLORIDE clinicaltrials
    TRANDATE clinicaltrials
    167638 ChEBI
    R5H8897N95 FDA SRS
    DTXSID2023191 EPA CompTox Dashboard
    1531 DrugCentral
    7207 Guide to Pharmacology
    J19.703C Nikkaji
    LABETALOL DailyMed
    14777379 PubChem: Thomson Pharma
    3869 PubChem
    PD009899 ProbesDrugs
    labetalol Atlas
    PA164743150 PharmGKB
    36894-69-6 ACToR
    SCHEMBL4582 SureChEMBL
    LSM-1282 LINCS
    653717 eMolecules
    MCULE-6427232261 Mcule
    labetalol DailyMed
    HMDB0014736 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.