Dataset

Timolol; LC-ESI-IT; MS3; m/z: 317/261; [M+H]+

This MassBank record with Accession MSBNK-Keio_Univ-KO009304 contains the MS3 mass spectrum of Timolol with the InChIkey BLJRIMJGRPQVNF-JTQLQIEISA-N.

Chemical Information

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

TimololHTML

Go to source

Related Molecule ⌄

(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO009304
Version
Author
Maintainer
Language
MetadataPublished	2011-12-05
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
TIM	pdbe
PD002871	probes_and_drugs
JEYFEY	CCDC
156335	brenda
DTXSID4023674	comptox
NCT00004641	clinicaltrials
NCT00051155	clinicaltrials
NCT00061542	clinicaltrials
NCT00140049	clinicaltrials
NCT00143208	clinicaltrials
NCT00150267	clinicaltrials
NCT00159653	clinicaltrials
NCT00219596	clinicaltrials
NCT00219596	clinicaltrials
NCT00230763	clinicaltrials
NCT00277498	clinicaltrials
NCT00293787	clinicaltrials
NCT00293800	clinicaltrials
NCT00311389	clinicaltrials
NCT00314158	clinicaltrials
NCT00314171	clinicaltrials
NCT00317577	clinicaltrials
NCT00326092	clinicaltrials
NCT00330577	clinicaltrials
NCT00331240	clinicaltrials
NCT00332059	clinicaltrials
NCT00332072	clinicaltrials
NCT00332345	clinicaltrials
NCT00332384	clinicaltrials
NCT00332436	clinicaltrials
NCT00332540	clinicaltrials
NCT00333125	clinicaltrials
NCT00348023	clinicaltrials
NCT00383019	clinicaltrials
NCT00397241	clinicaltrials
NCT00444184	clinicaltrials
NCT00465803	clinicaltrials
NCT00471380	clinicaltrials
NCT00486486	clinicaltrials
NCT00508469	clinicaltrials
NCT00508469	clinicaltrials
NCT00572936	clinicaltrials
NCT00576342	clinicaltrials
NCT00579969	clinicaltrials
NCT00620256	clinicaltrials
NCT00651612	clinicaltrials
NCT00652106	clinicaltrials
NCT00652106	clinicaltrials
NCT00672997	clinicaltrials
NCT00672997	clinicaltrials
NCT00698945	clinicaltrials
NCT00716859	clinicaltrials
NCT00751049	clinicaltrials
NCT00751062	clinicaltrials
NCT00751127	clinicaltrials
NCT00757835	clinicaltrials
NCT00760539	clinicaltrials
NCT00760539	clinicaltrials
NCT00763061	clinicaltrials
NCT00800267	clinicaltrials
NCT00800540	clinicaltrials
NCT00800540	clinicaltrials
NCT00804648	clinicaltrials
NCT00832377	clinicaltrials
NCT00856622	clinicaltrials
NCT00856622	clinicaltrials
NCT00869141	clinicaltrials
NCT00872651	clinicaltrials
NCT00872651	clinicaltrials
NCT00887029	clinicaltrials
NCT00906087	clinicaltrials
NCT00912054	clinicaltrials
NCT00913029	clinicaltrials
NCT00941096	clinicaltrials
NCT00957190	clinicaltrials
NCT00972257	clinicaltrials
NCT00972257	clinicaltrials
NCT00972426	clinicaltrials
NCT00980473	clinicaltrials
NCT00981786	clinicaltrials
NCT00991822	clinicaltrials
NCT01004900	clinicaltrials
NCT01026831	clinicaltrials
NCT01062971	clinicaltrials
NCT01111890	clinicaltrials
NCT01147601	clinicaltrials
NCT01151904	clinicaltrials
NCT01177098	clinicaltrials
NCT01177098	clinicaltrials
NCT01215786	clinicaltrials
NCT01216943	clinicaltrials
NCT01217606	clinicaltrials
NCT01217606	clinicaltrials
NCT01230736	clinicaltrials
NCT01241240	clinicaltrials
NCT01241240	clinicaltrials
NCT01243567	clinicaltrials
NCT01250457	clinicaltrials
NCT01263444	clinicaltrials
NCT01272609	clinicaltrials
NCT01284166	clinicaltrials
NCT01292460	clinicaltrials
NCT01306461	clinicaltrials
NCT01306461	clinicaltrials
NCT01327599	clinicaltrials
NCT01340014	clinicaltrials
NCT01340014	clinicaltrials
NCT01342081	clinicaltrials
NCT01342094	clinicaltrials
NCT01357616	clinicaltrials
NCT01357616	clinicaltrials
NCT01408056	clinicaltrials
NCT01415401	clinicaltrials
NCT01426113	clinicaltrials
NCT01434888	clinicaltrials
NCT01434888	clinicaltrials
NCT01446497	clinicaltrials
NCT01446497	clinicaltrials
NCT01448837	clinicaltrials
NCT01471158	clinicaltrials
NCT01484951	clinicaltrials
NCT01510132	clinicaltrials
NCT01533376	clinicaltrials
NCT01547598	clinicaltrials
NCT01652664	clinicaltrials
NCT01655758	clinicaltrials
NCT01655758	clinicaltrials
NCT01677507	clinicaltrials
NCT01696383	clinicaltrials
NCT01749904	clinicaltrials
NCT01749930	clinicaltrials
NCT01779284	clinicaltrials
NCT01779284	clinicaltrials
NCT01814514	clinicaltrials
NCT01881126	clinicaltrials
NCT01915940	clinicaltrials
NCT01917383	clinicaltrials
NCT01927406	clinicaltrials
NCT01978015	clinicaltrials
NCT02003391	clinicaltrials
NCT02053298	clinicaltrials
NCT02097719	clinicaltrials
NCT02154217	clinicaltrials
NCT02214680	clinicaltrials
NCT02214680	clinicaltrials
NCT02247804	clinicaltrials
NCT02247804	clinicaltrials
NCT02250651	clinicaltrials
NCT02278614	clinicaltrials
NCT02312544	clinicaltrials
NCT02358369	clinicaltrials
NCT02390284	clinicaltrials
NCT02422017	clinicaltrials
NCT02484716	clinicaltrials
NCT02565173	clinicaltrials
NCT02571712	clinicaltrials
NCT02571972	clinicaltrials
NCT02730871	clinicaltrials
NCT02731287	clinicaltrials
NCT02742649	clinicaltrials
NCT02774590	clinicaltrials
NCT02802137	clinicaltrials
NCT02822729	clinicaltrials
NCT02863705	clinicaltrials
NCT03034772	clinicaltrials
NCT03193333	clinicaltrials
NCT03193333	clinicaltrials
NCT03282981	clinicaltrials
NCT03452072	clinicaltrials
NCT03579160	clinicaltrials
NCT03612817	clinicaltrials
NCT03648229	clinicaltrials
NCT03822559	clinicaltrials
NCT03836664	clinicaltrials
NCT03966560	clinicaltrials
NCT03966560	clinicaltrials
NCT03966560	clinicaltrials
NCT04098861	clinicaltrials
NCT04139018	clinicaltrials
NCT04149899	clinicaltrials
NCT04412096	clinicaltrials
NCT04702789	clinicaltrials
NCT04898387	clinicaltrials
NCT04898387	clinicaltrials
NCT04910100	clinicaltrials
NCT05083689	clinicaltrials
NCT05114239	clinicaltrials
NCT05299593	clinicaltrials
NCT05479123	clinicaltrials
NCT05503901	clinicaltrials
NCT05857267	clinicaltrials
NCT05857267	clinicaltrials
NCT05913232	clinicaltrials
NCT06140186	clinicaltrials
NCT06369077	clinicaltrials
Molport-006-125-123	molport
4061	drugcentral
25767	bindingdb
50292219	bindingdb
The data in this table is sourced from UniChem at EBI.