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
    timolol DailyMed
    PA451690 PharmGKB
    SCHEMBL4912 SureChEMBL
    131628-37-0 ACToR
    LSM-2176 LINCS
    5JKY92S7BR FDA SRS
    PD002871 ProbesDrugs
    33624 PubChem
    14899130 PubChem: Thomson Pharma
    14825948 PubChem: Thomson Pharma
    1933616 eMolecules
    DB00373 DrugBank
    TIM PDBe
    CHEMBL499 ChEMBL
    9599 ChEBI
    SAM002564238 NIH Clinical Collection
    C07141 KEGG Ligand
    TIMOLOL DailyMed
    50292219 BindingDB
    TIMOLOL rxnorm
    TIMOPTIC rxnorm
    TIMOLOL MALEATE rxnorm
    TIMOLOL HEMIHYDRATE rxnorm
    TIMOLOL ANHYDROUS rxnorm
    BETIMOL rxnorm
    BETIMOL clinicaltrials
    ISTALOL clinicaltrials
    TIMOLOL clinicaltrials
    TIMOLOL HEMIHYDRATE clinicaltrials
    TIMOLOL MALEATE clinicaltrials
    TIMOPTIC clinicaltrials
    BLOCADREN clinicaltrials
    DTXSID4023674 EPA CompTox Dashboard
    4061 DrugCentral
    ZINC000000002176 ZINC
    J10.426D Nikkaji
    565 Guide to Pharmacology
    JEYFEY CCDC
    ISTALOL rxnorm
    156335 Brenda
    CB3266706 ChemicalBook
    The data in this table is sourced from UniChem at EBI.