Dataset

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

This MassBank record with Accession MSBNK-Waters-WA000625 contains the MS mass spectrum of Timolol with the InChIkey BLJRIMJGRPQVNF-JTQLQIEISA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1
SMILES OC(CNC(C)(C)C)COc(n2)c(ns2)N(C1)CCOC1
InChI Key BLJRIMJGRPQVNF-JTQLQIEISA-N
Molecular Formula C13H24N4O3S
Exact Mass 316.157 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-WA000625
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00373 drugbank
    CHEBI:9599 chebi
    TIM rcsb_pdb
    CHEMBL499 chembl
    4912 surechembl
    33624 pubchem
    5JKY92S7BR fdasrs
    PD002871 probes_and_drugs
    JEYFEY CCDC
    156335 brenda
    Molport-006-125-123 molport
    4061 drugcentral
    25767 bindingdb
    50292219 bindingdb
    The data in this table is sourced from UniChem at EBI.