Dataset

Timolol

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

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

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
Language
MetadataCreated	2024-01-11T22:46:10.344774
MetadataModified	2024-01-11T22:46:10.520643
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CB3266706	ChemicalBook
timolol	DailyMed
156335	Brenda
ZINC000000002176	ZINC
DTXSID4023674	EPA CompTox Dashboard
BLOCADREN	clinicaltrials
TIMOPTIC	clinicaltrials
TIMOLOL MALEATE	clinicaltrials
TIMOLOL HEMIHYDRATE	clinicaltrials
TIMOLOL	clinicaltrials
ISTALOL	clinicaltrials
BETIMOL	clinicaltrials
BETIMOL	rxnorm
TIMOLOL ANHYDROUS	rxnorm
TIMOLOL HEMIHYDRATE	rxnorm
TIMOLOL MALEATE	rxnorm
TIMOPTIC	rxnorm
TIMOLOL	rxnorm
ISTALOL	rxnorm
TIMOLOL	DailyMed
50292219	BindingDB
4061	DrugCentral
J10.426D	Nikkaji
565	Guide to Pharmacology
JEYFEY	CCDC
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
DB00373	DrugBank
TIM	PDBe
CHEMBL499	ChEMBL
9599	ChEBI
SAM002564238	NIH Clinical Collection
C07141	KEGG Ligand
1933616	eMolecules
The data in this table is sourced from UniChem at EBI.