Dataset

Omeprazole; LC-ESI-QTOF; MS2; 140 V

This MassBank record with Accession MSBNK-BAFG-CSL2311109076 contains the MS2 mass spectrum of Omeprazole with the InChIkey SUBDBMMJDZJVOS-UHFFFAOYSA-N.

Chemical Information

InChI	InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
SMILES	COc1ccc2nc([nH]c2c1)[S](=O)Cc3ncc(C)c(OC)c3C
InChI Key	SUBDBMMJDZJVOS-UHFFFAOYSA-N
Molecular Formula	C17H19N3O3S
Exact Mass	345.115 g/mol

Data and Resources

OmeprazoleHTML

Go to source

Related Molecule ⌄

6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole

Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311109076
Version
Author
Maintainer
Language
MetadataPublished	2023-11-10
Related Molecule	6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB00338	drugbank
CHEBI:77260	chebi
CHEBI:91766	chebi
CHEMBL1503	chembl
1191	surechembl
140006	surechembl
29360040	surechembl
29538900	surechembl
30179968	surechembl
4594	pubchem
KG60484QX9	fdasrs
4279	gtopdb
5488	gtopdb
PD000331	probes_and_drugs
UDAVIF	CCDC
14574	brenda
2976	brenda
HMDB0001913	hmdb
DTXSID6021080	comptox
NCT00001191	clinicaltrials
NCT00002682	clinicaltrials
NCT00003151	clinicaltrials
NCT00003617	clinicaltrials
NCT00141102	clinicaltrials
NCT00164866	clinicaltrials
NCT00164931	clinicaltrials
NCT00201422	clinicaltrials
NCT00210470	clinicaltrials
NCT00226044	clinicaltrials
NCT00247130	clinicaltrials
NCT00251030	clinicaltrials
NCT00256737	clinicaltrials
NCT00259051	clinicaltrials
NCT00259077	clinicaltrials
NCT00272467	clinicaltrials
NCT00290823	clinicaltrials
NCT00298779	clinicaltrials
NCT00339768	clinicaltrials
NCT00357240	clinicaltrials
NCT00364481	clinicaltrials
NCT00367211	clinicaltrials
NCT00367211	clinicaltrials
NCT00374101	clinicaltrials
NCT00402259	clinicaltrials
NCT00404534	clinicaltrials
NCT00420615	clinicaltrials
NCT00426595	clinicaltrials
NCT00441519	clinicaltrials
NCT00442052	clinicaltrials
NCT00442741	clinicaltrials
NCT00443170	clinicaltrials
NCT00446004	clinicaltrials
NCT00475527	clinicaltrials
NCT00492622	clinicaltrials
NCT00519519	clinicaltrials
NCT00537732	clinicaltrials
NCT00542347	clinicaltrials
NCT00557349	clinicaltrials
NCT00557921	clinicaltrials
NCT00559182	clinicaltrials
NCT00559364	clinicaltrials
NCT00564590	clinicaltrials
NCT00582972	clinicaltrials
NCT00633932	clinicaltrials
NCT00634114	clinicaltrials
NCT00640809	clinicaltrials
NCT00641264	clinicaltrials
NCT00655746	clinicaltrials
NCT00664209	clinicaltrials
NCT00668317	clinicaltrials
NCT00669955	clinicaltrials
NCT00669955	clinicaltrials
NCT00674115	clinicaltrials
NCT00692510	clinicaltrials
NCT00693225	clinicaltrials
NCT00719420	clinicaltrials
NCT00726726	clinicaltrials
NCT00765206	clinicaltrials
NCT00817245	clinicaltrials
NCT00818870	clinicaltrials
NCT00825630	clinicaltrials
NCT00854451	clinicaltrials
NCT00857597	clinicaltrials
NCT00861640	clinicaltrials
NCT00903448	clinicaltrials
NCT00930306	clinicaltrials
NCT00930670	clinicaltrials
NCT00931073	clinicaltrials
NCT00942136	clinicaltrials
NCT00942175	clinicaltrials
NCT00950339	clinicaltrials
NCT00952978	clinicaltrials
NCT00953381	clinicaltrials
NCT00964106	clinicaltrials
NCT00971581	clinicaltrials
NCT00989300	clinicaltrials
NCT01000220	clinicaltrials
NCT01000818	clinicaltrials
NCT01001247	clinicaltrials
NCT01001299	clinicaltrials
NCT01016717	clinicaltrials
NCT01045434	clinicaltrials
NCT01045642	clinicaltrials
NCT01077076	clinicaltrials
NCT01093755	clinicaltrials
NCT01129375	clinicaltrials
NCT01129388	clinicaltrials
NCT01129414	clinicaltrials
NCT01136317	clinicaltrials
NCT01147588	clinicaltrials
NCT01150162	clinicaltrials
NCT01159145	clinicaltrials
NCT01170169	clinicaltrials
NCT01170182	clinicaltrials
NCT01170533	clinicaltrials
NCT01187862	clinicaltrials
NCT01218620	clinicaltrials
NCT01269333	clinicaltrials
NCT01269788	clinicaltrials
NCT01275170	clinicaltrials
NCT01287195	clinicaltrials
NCT01287598	clinicaltrials
NCT01303445	clinicaltrials
NCT01323465	clinicaltrials
NCT01335334	clinicaltrials
NCT01337804	clinicaltrials
NCT01338077	clinicaltrials
NCT01392755	clinicaltrials
NCT01408849	clinicaltrials
NCT01415128	clinicaltrials
NCT01415349	clinicaltrials
NCT01452906	clinicaltrials
NCT01458054	clinicaltrials
NCT01462318	clinicaltrials
NCT01465113	clinicaltrials
NCT01470690	clinicaltrials
NCT01489943	clinicaltrials
NCT01493089	clinicaltrials
NCT01499368	clinicaltrials
NCT01517399	clinicaltrials
NCT01539655	clinicaltrials
NCT01557335	clinicaltrials
NCT01566474	clinicaltrials
NCT01570569	clinicaltrials
NCT01587885	clinicaltrials
NCT01596647	clinicaltrials
NCT01599858	clinicaltrials
NCT01636557	clinicaltrials
NCT01657578	clinicaltrials
NCT01661101	clinicaltrials
NCT01678053	clinicaltrials
NCT01694706	clinicaltrials
NCT01710995	clinicaltrials
NCT01711320	clinicaltrials
NCT01731067	clinicaltrials
NCT01735227	clinicaltrials
NCT01762644	clinicaltrials
NCT01762644	clinicaltrials
NCT01766050	clinicaltrials
NCT01777854	clinicaltrials
NCT01782560	clinicaltrials
NCT01786382	clinicaltrials
NCT01795794	clinicaltrials
NCT01813552	clinicaltrials
NCT01822600	clinicaltrials
NCT01822977	clinicaltrials
NCT01824199	clinicaltrials
NCT01851863	clinicaltrials
NCT01851863	clinicaltrials
NCT01876108	clinicaltrials
NCT01896557	clinicaltrials
NCT01901276	clinicaltrials
NCT01911728	clinicaltrials
NCT01921920	clinicaltrials
NCT01925144	clinicaltrials
NCT01934569	clinicaltrials
NCT01980095	clinicaltrials
NCT01983566	clinicaltrials
NCT02004197	clinicaltrials
NCT02013427	clinicaltrials
NCT02013453	clinicaltrials
NCT02028234	clinicaltrials
NCT02085018	clinicaltrials
NCT02123498	clinicaltrials
NCT02140073	clinicaltrials
NCT02153177	clinicaltrials
NCT02182336	clinicaltrials
NCT02190708	clinicaltrials
NCT02220777	clinicaltrials
NCT02224053	clinicaltrials
NCT02226783	clinicaltrials
NCT02229877	clinicaltrials
NCT02243553	clinicaltrials
NCT02249871	clinicaltrials
NCT02249936	clinicaltrials
NCT02253875	clinicaltrials
NCT02254148	clinicaltrials
NCT02256813	clinicaltrials
NCT02262169	clinicaltrials
NCT02272868	clinicaltrials
NCT02291666	clinicaltrials
NCT02299687	clinicaltrials
NCT02345304	clinicaltrials
NCT02365558	clinicaltrials
NCT02391688	clinicaltrials
NCT02394340	clinicaltrials
NCT02397382	clinicaltrials
NCT02407119	clinicaltrials
NCT02407119	clinicaltrials
NCT02422706	clinicaltrials
NCT02433457	clinicaltrials
NCT02453022	clinicaltrials
NCT02472600	clinicaltrials
NCT02473627	clinicaltrials
NCT02492776	clinicaltrials
NCT02500641	clinicaltrials
NCT02504554	clinicaltrials
NCT02505945	clinicaltrials
NCT02518373	clinicaltrials
NCT02524210	clinicaltrials
NCT02530879	clinicaltrials
NCT02536989	clinicaltrials
NCT02552537	clinicaltrials
NCT02584751	clinicaltrials
NCT02586636	clinicaltrials
NCT02592317	clinicaltrials
NCT02595372	clinicaltrials
NCT02609386	clinicaltrials
NCT02621359	clinicaltrials
NCT02623816	clinicaltrials
NCT02638116	clinicaltrials
NCT02647086	clinicaltrials
NCT02684799	clinicaltrials
NCT02685436	clinicaltrials
NCT02710994	clinicaltrials
NCT02724150	clinicaltrials
NCT02730026	clinicaltrials
NCT02740712	clinicaltrials
NCT02760615	clinicaltrials
NCT02762123	clinicaltrials
NCT02772601	clinicaltrials
NCT02783040	clinicaltrials
NCT02790840	clinicaltrials
NCT02844621	clinicaltrials
NCT02922933	clinicaltrials
NCT02950259	clinicaltrials
NCT02957474	clinicaltrials
NCT02986334	clinicaltrials
NCT02993471	clinicaltrials
NCT03028103	clinicaltrials
NCT03033342	clinicaltrials
NCT03058419	clinicaltrials
NCT03059303	clinicaltrials
NCT03086070	clinicaltrials
NCT03100838	clinicaltrials
NCT03105375	clinicaltrials
NCT03131973	clinicaltrials
NCT03146325	clinicaltrials
NCT03198507	clinicaltrials
NCT03205228	clinicaltrials
NCT03234699	clinicaltrials
NCT03238534	clinicaltrials
NCT03267680	clinicaltrials
NCT03291249	clinicaltrials
NCT03302845	clinicaltrials
NCT03327051	clinicaltrials
NCT03333824	clinicaltrials
NCT03358706	clinicaltrials
NCT03362268	clinicaltrials
NCT03362281	clinicaltrials
NCT03363815	clinicaltrials
NCT03367195	clinicaltrials
NCT03378960	clinicaltrials
NCT03457597	clinicaltrials
NCT03457727	clinicaltrials
NCT03530995	clinicaltrials
NCT03531762	clinicaltrials
NCT03547024	clinicaltrials
NCT03556592	clinicaltrials
NCT03561233	clinicaltrials
NCT03650543	clinicaltrials
NCT03650543	clinicaltrials
NCT03662269	clinicaltrials
NCT03709355	clinicaltrials
NCT03716427	clinicaltrials
NCT03781596	clinicaltrials
NCT03864042	clinicaltrials
NCT03866434	clinicaltrials
NCT03908619	clinicaltrials
NCT03936374	clinicaltrials
NCT03979989	clinicaltrials
NCT03980496	clinicaltrials
NCT04028466	clinicaltrials
NCT04108676	clinicaltrials
NCT04128787	clinicaltrials
NCT04149470	clinicaltrials
NCT04170270	clinicaltrials
NCT04198948	clinicaltrials
NCT04199624	clinicaltrials
NCT04246762	clinicaltrials
NCT04337580	clinicaltrials
NCT04368585	clinicaltrials
NCT04425902	clinicaltrials
NCT04525664	clinicaltrials
NCT04617613	clinicaltrials
NCT04643249	clinicaltrials
NCT04672018	clinicaltrials
NCT04676035	clinicaltrials
NCT04718181	clinicaltrials
NCT04766996	clinicaltrials
NCT04840888	clinicaltrials
NCT04876807	clinicaltrials
NCT04901663	clinicaltrials
NCT04914936	clinicaltrials
NCT04930991	clinicaltrials
NCT04959266	clinicaltrials
NCT04989829	clinicaltrials
NCT05041920	clinicaltrials
NCT05067439	clinicaltrials
NCT05109390	clinicaltrials
NCT05134350	clinicaltrials
NCT05254548	clinicaltrials
NCT05264142	clinicaltrials
NCT05273775	clinicaltrials
NCT05319899	clinicaltrials
NCT05319912	clinicaltrials
NCT05338502	clinicaltrials
NCT05342532	clinicaltrials
NCT05392127	clinicaltrials
NCT05433896	clinicaltrials
NCT05438303	clinicaltrials
NCT05444556	clinicaltrials
NCT05468164	clinicaltrials
NCT05487235	clinicaltrials
NCT05497557	clinicaltrials
NCT05581992	clinicaltrials
NCT05599828	clinicaltrials
NCT05609929	clinicaltrials
NCT05635110	clinicaltrials
NCT05651074	clinicaltrials
NCT05680870	clinicaltrials
NCT05799105	clinicaltrials
NCT05852769	clinicaltrials
NCT05863858	clinicaltrials
NCT05891119	clinicaltrials
NCT05932277	clinicaltrials
NCT05981365	clinicaltrials
NCT06031454	clinicaltrials
NCT06093945	clinicaltrials
NCT06162169	clinicaltrials
NCT06215430	clinicaltrials
NCT06279234	clinicaltrials
NCT06315478	clinicaltrials
NCT06322706	clinicaltrials
NCT06378398	clinicaltrials
NCT06383338	clinicaltrials
NCT06393868	clinicaltrials
Molport-003-666-741	molport
Molport-003-849-702	molport
50103597	bindingdb
50241343	bindingdb
The data in this table is sourced from UniChem at EBI.