Dataset

Celecoxib; LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-

This MassBank record with Accession MSBNK-LCSB-LU045455 contains the MS2 mass spectrum of Celecoxib with the InChIkey RZEKVGVHFLEQIL-UHFFFAOYSA-N.

Chemical Information

InChI	InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
SMILES	CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F
InChI Key	RZEKVGVHFLEQIL-UHFFFAOYSA-N
Molecular Formula	C17H14F3N3O2S
Exact Mass	381.076 g/mol

Data and Resources

CelecoxibHTML

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Related Molecule ⌄

4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU045455
Version
Author
Maintainer
Language
MetadataPublished	2020-08-19
Related Molecule	4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB00482	drugbank
CHEBI:41423	chebi
CEL	rcsb_pdb
CHEMBL118	chembl
3708	surechembl
2662	pubchem
JCX84Q7J1L	fdasrs
CEL	pdbe
2892	gtopdb
PD000893	probes_and_drugs
DIBBUL	CCDC
153386	brenda
154370	brenda
1809	brenda
69450	brenda
83080	brenda
HMDB0005014	hmdb
DTXSID0022777	comptox
NCT00001693	clinicaltrials
NCT00001955	clinicaltrials
NCT00005094	clinicaltrials
NCT00005878	clinicaltrials
NCT00006124	clinicaltrials
NCT00006299	clinicaltrials
NCT00006381	clinicaltrials
NCT00007189	clinicaltrials
NCT00009230	clinicaltrials
NCT00014404	clinicaltrials
NCT00020878	clinicaltrials
NCT00022399	clinicaltrials
NCT00023621	clinicaltrials
NCT00023660	clinicaltrials
NCT00025051	clinicaltrials
NCT00027976	clinicaltrials
NCT00030407	clinicaltrials
NCT00030420	clinicaltrials
NCT00032890	clinicaltrials
NCT00033371	clinicaltrials
NCT00036283	clinicaltrials
NCT00037180	clinicaltrials
NCT00037817	clinicaltrials
NCT00038103	clinicaltrials
NCT00043043	clinicaltrials
NCT00043680	clinicaltrials
NCT00045591	clinicaltrials
NCT00046839	clinicaltrials
NCT00047281	clinicaltrials
NCT00047294	clinicaltrials
NCT00050479	clinicaltrials
NCT00052611	clinicaltrials
NCT00055978	clinicaltrials
NCT00056082	clinicaltrials
NCT00057980	clinicaltrials
NCT00058006	clinicaltrials
NCT00061893	clinicaltrials
NCT00061906	clinicaltrials
NCT00062101	clinicaltrials
NCT00062179	clinicaltrials
NCT00064181	clinicaltrials
NCT00066716	clinicaltrials
NCT00068432	clinicaltrials
NCT00068653	clinicaltrials
NCT00068770	clinicaltrials
NCT00070057	clinicaltrials
NCT00070486	clinicaltrials
NCT00072072	clinicaltrials
NCT00072540	clinicaltrials
NCT00072553	clinicaltrials
NCT00073866	clinicaltrials
NCT00073970	clinicaltrials
NCT00075673	clinicaltrials
NCT00080782	clinicaltrials
NCT00081224	clinicaltrials
NCT00081263	clinicaltrials
NCT00081848	clinicaltrials
NCT00084448	clinicaltrials
NCT00084721	clinicaltrials
NCT00085163	clinicaltrials
NCT00087256	clinicaltrials
NCT00088959	clinicaltrials
NCT00088972	clinicaltrials
NCT00092352	clinicaltrials
NCT00092365	clinicaltrials
NCT00092768	clinicaltrials
NCT00092781	clinicaltrials
NCT00099047	clinicaltrials
NCT00101062	clinicaltrials
NCT00101335	clinicaltrials
NCT00104767	clinicaltrials
NCT00108186	clinicaltrials
NCT00112502	clinicaltrials
NCT00135018	clinicaltrials
NCT00136487	clinicaltrials
NCT00137033	clinicaltrials
NCT00137410	clinicaltrials
NCT00137852	clinicaltrials
NCT00139776	clinicaltrials
NCT00141102	clinicaltrials
NCT00141154	clinicaltrials
NCT00141193	clinicaltrials
NCT00150280	clinicaltrials
NCT00152724	clinicaltrials
NCT00152828	clinicaltrials
NCT00153660	clinicaltrials
NCT00153673	clinicaltrials
NCT00159484	clinicaltrials
NCT00163241	clinicaltrials
NCT00165451	clinicaltrials
NCT00174317	clinicaltrials
NCT00175032	clinicaltrials
NCT00176813	clinicaltrials
NCT00177853	clinicaltrials
NCT00177866	clinicaltrials
NCT00181532	clinicaltrials
NCT00183807	clinicaltrials
NCT00188565	clinicaltrials
NCT00194090	clinicaltrials
NCT00201773	clinicaltrials
NCT00211952	clinicaltrials
NCT00212108	clinicaltrials
NCT00215345	clinicaltrials
NCT00218205	clinicaltrials
NCT00223691	clinicaltrials
NCT00230399	clinicaltrials
NCT00231829	clinicaltrials
NCT00256321	clinicaltrials
NCT00258232	clinicaltrials
NCT00261586	clinicaltrials
NCT00268476	clinicaltrials
NCT00274898	clinicaltrials
NCT00290680	clinicaltrials
NCT00290901	clinicaltrials
NCT00291694	clinicaltrials
NCT00292721	clinicaltrials
NCT00293436	clinicaltrials
NCT00295035	clinicaltrials
NCT00296127	clinicaltrials
NCT00300729	clinicaltrials
NCT00304317	clinicaltrials
NCT00305643	clinicaltrials
NCT00314262	clinicaltrials
NCT00328432	clinicaltrials
NCT00336960	clinicaltrials
NCT00346216	clinicaltrials
NCT00346801	clinicaltrials
NCT00348452	clinicaltrials
NCT00355576	clinicaltrials
NCT00357500	clinicaltrials
NCT00357617	clinicaltrials
NCT00359151	clinicaltrials
NCT00365313	clinicaltrials
NCT00373685	clinicaltrials
NCT00400374	clinicaltrials
NCT00402987	clinicaltrials
NCT00424294	clinicaltrials
NCT00442676	clinicaltrials
NCT00446797	clinicaltrials
NCT00447759	clinicaltrials
NCT00450736	clinicaltrials
NCT00466505	clinicaltrials
NCT00471341	clinicaltrials
NCT00473980	clinicaltrials
NCT00484718	clinicaltrials
NCT00486460	clinicaltrials
NCT00499655	clinicaltrials
NCT00500279	clinicaltrials
NCT00503035	clinicaltrials
NCT00504660	clinicaltrials
NCT00520091	clinicaltrials
NCT00520338	clinicaltrials
NCT00520845	clinicaltrials
NCT00525096	clinicaltrials
NCT00527982	clinicaltrials
NCT00538031	clinicaltrials
NCT00546507	clinicaltrials
NCT00546832	clinicaltrials
NCT00549549	clinicaltrials
NCT00551005	clinicaltrials
NCT00551889	clinicaltrials
NCT00565500	clinicaltrials
NCT00571701	clinicaltrials
NCT00581685	clinicaltrials
NCT00581971	clinicaltrials
NCT00582660	clinicaltrials
NCT00583453	clinicaltrials
NCT00585156	clinicaltrials
NCT00585312	clinicaltrials
NCT00589186	clinicaltrials
NCT00592319	clinicaltrials
NCT00597415	clinicaltrials
NCT00598234	clinicaltrials
NCT00603759	clinicaltrials
NCT00620867	clinicaltrials
NCT00624559	clinicaltrials
NCT00630929	clinicaltrials
NCT00633386	clinicaltrials
NCT00633438	clinicaltrials
NCT00638807	clinicaltrials
NCT00639483	clinicaltrials
NCT00640432	clinicaltrials
NCT00640627	clinicaltrials
NCT00640809	clinicaltrials
NCT00643799	clinicaltrials
NCT00648141	clinicaltrials
NCT00652925	clinicaltrials
NCT00662558	clinicaltrials
NCT00663767	clinicaltrials
NCT00664560	clinicaltrials
NCT00664690	clinicaltrials
NCT00665431	clinicaltrials
NCT00665457	clinicaltrials
NCT00685568	clinicaltrials
NCT00687388	clinicaltrials
NCT00698204	clinicaltrials
NCT00700687	clinicaltrials
NCT00716547	clinicaltrials
NCT00729495	clinicaltrials
NCT00762463	clinicaltrials
NCT00778193	clinicaltrials
NCT00780325	clinicaltrials
NCT00807846	clinicaltrials
NCT00808743	clinicaltrials
NCT00813241	clinicaltrials
NCT00846430	clinicaltrials
NCT00849966	clinicaltrials
NCT00882388	clinicaltrials
NCT00882388	clinicaltrials
NCT00882388	clinicaltrials
NCT00894790	clinicaltrials
NCT00904397	clinicaltrials
NCT00904605	clinicaltrials
NCT00925106	clinicaltrials
NCT00931203	clinicaltrials
NCT00953849	clinicaltrials
NCT00964431	clinicaltrials
NCT00970502	clinicaltrials
NCT00976716	clinicaltrials
NCT00981201	clinicaltrials
NCT00985439	clinicaltrials
NCT00994461	clinicaltrials
NCT01017380	clinicaltrials
NCT01020279	clinicaltrials
NCT01021215	clinicaltrials
NCT01041781	clinicaltrials
NCT01062113	clinicaltrials
NCT01067989	clinicaltrials
NCT01111591	clinicaltrials
NCT01124435	clinicaltrials
NCT01143545	clinicaltrials
NCT01150045	clinicaltrials
NCT01158534	clinicaltrials
NCT01175772	clinicaltrials
NCT01220973	clinicaltrials
NCT01258868	clinicaltrials
NCT01275300	clinicaltrials
NCT01280006	clinicaltrials
NCT01285817	clinicaltrials
NCT01313429	clinicaltrials
NCT01341405	clinicaltrials
NCT01341496	clinicaltrials
NCT01344200	clinicaltrials
NCT01344213	clinicaltrials
NCT01344213	clinicaltrials
NCT01354145	clinicaltrials
NCT01356290	clinicaltrials
NCT01374269	clinicaltrials
NCT01425476	clinicaltrials
NCT01425853	clinicaltrials
NCT01449630	clinicaltrials
NCT01462435	clinicaltrials
NCT01479829	clinicaltrials
NCT01503385	clinicaltrials
NCT01535417	clinicaltrials
NCT01543685	clinicaltrials
NCT01549743	clinicaltrials
NCT01554163	clinicaltrials
NCT01555073	clinicaltrials
NCT01576419	clinicaltrials
NCT01632566	clinicaltrials
NCT01632579	clinicaltrials
NCT01668680	clinicaltrials
NCT01678313	clinicaltrials
NCT01695226	clinicaltrials
NCT01705106	clinicaltrials
NCT01729923	clinicaltrials
NCT01756989	clinicaltrials
NCT01765296	clinicaltrials
NCT01768520	clinicaltrials
NCT01769625	clinicaltrials
NCT01781702	clinicaltrials
NCT01796951	clinicaltrials
NCT01838044	clinicaltrials
NCT01849055	clinicaltrials
NCT01860833	clinicaltrials
NCT01872910	clinicaltrials
NCT01881048	clinicaltrials
NCT01901679	clinicaltrials
NCT01934933	clinicaltrials
NCT01968070	clinicaltrials
NCT02030964	clinicaltrials
NCT02037165	clinicaltrials
NCT02054104	clinicaltrials
NCT02071303	clinicaltrials
NCT02079727	clinicaltrials
NCT02084511	clinicaltrials
NCT02090933	clinicaltrials
NCT02099136	clinicaltrials
NCT02108366	clinicaltrials
NCT02110719	clinicaltrials
NCT02115074	clinicaltrials
NCT02131012	clinicaltrials
NCT02151448	clinicaltrials
NCT02160301	clinicaltrials
NCT02172040	clinicaltrials
NCT02179645	clinicaltrials
NCT02192190	clinicaltrials
NCT02198924	clinicaltrials
NCT02280694	clinicaltrials
NCT02301234	clinicaltrials
NCT02307305	clinicaltrials
NCT02343614	clinicaltrials
NCT02351934	clinicaltrials
NCT02355236	clinicaltrials
NCT02362529	clinicaltrials
NCT02389465	clinicaltrials
NCT02401295	clinicaltrials
NCT02429427	clinicaltrials
NCT02432378	clinicaltrials
NCT02432378	clinicaltrials
NCT02472418	clinicaltrials
NCT02484664	clinicaltrials
NCT02502006	clinicaltrials
NCT02502500	clinicaltrials
NCT02528201	clinicaltrials
NCT02537925	clinicaltrials
NCT02574728	clinicaltrials
NCT02602509	clinicaltrials
NCT02638896	clinicaltrials
NCT02667730	clinicaltrials
NCT02688400	clinicaltrials
NCT02695745	clinicaltrials
NCT02703259	clinicaltrials
NCT02703363	clinicaltrials
NCT02711579	clinicaltrials
NCT02725411	clinicaltrials
NCT02726659	clinicaltrials
NCT02736019	clinicaltrials
NCT02736071	clinicaltrials
NCT02739035	clinicaltrials
NCT02739204	clinicaltrials
NCT02748707	clinicaltrials
NCT02758782	clinicaltrials
NCT02759198	clinicaltrials
NCT02770378	clinicaltrials
NCT02780323	clinicaltrials
NCT02827487	clinicaltrials
NCT02839694	clinicaltrials
NCT02840162	clinicaltrials
NCT02845336	clinicaltrials
NCT02850211	clinicaltrials
NCT02876094	clinicaltrials
NCT02885974	clinicaltrials
NCT02934191	clinicaltrials
NCT02961998	clinicaltrials
NCT02987920	clinicaltrials
NCT03006276	clinicaltrials
NCT03009019	clinicaltrials
NCT03026140	clinicaltrials
NCT03051685	clinicaltrials
NCT03059238	clinicaltrials
NCT03067194	clinicaltrials
NCT03084536	clinicaltrials
NCT03108482	clinicaltrials
NCT03108482	clinicaltrials
NCT03121963	clinicaltrials
NCT03184493	clinicaltrials
NCT03184493	clinicaltrials
NCT03185871	clinicaltrials
NCT03190603	clinicaltrials
NCT03282838	clinicaltrials
NCT03304379	clinicaltrials
NCT03305068	clinicaltrials
NCT03331315	clinicaltrials
NCT03403634	clinicaltrials
NCT03404479	clinicaltrials
NCT03464552	clinicaltrials
NCT03472378	clinicaltrials
NCT03472469	clinicaltrials
NCT03473665	clinicaltrials
NCT03523832	clinicaltrials
NCT03540030	clinicaltrials
NCT03541655	clinicaltrials
NCT03554772	clinicaltrials
NCT03570554	clinicaltrials
NCT03584074	clinicaltrials
NCT03586934	clinicaltrials
NCT03590821	clinicaltrials
NCT03599453	clinicaltrials
NCT03625050	clinicaltrials
NCT03643744	clinicaltrials
NCT03645187	clinicaltrials
NCT03694873	clinicaltrials
NCT03699293	clinicaltrials
NCT03728179	clinicaltrials
NCT03818919	clinicaltrials
NCT03818932	clinicaltrials
NCT03820193	clinicaltrials
NCT03822520	clinicaltrials
NCT03825809	clinicaltrials
NCT03850587	clinicaltrials
NCT03850587	clinicaltrials
NCT03859024	clinicaltrials
NCT03864575	clinicaltrials
NCT03878524	clinicaltrials
NCT03885596	clinicaltrials
NCT03896113	clinicaltrials
NCT03912428	clinicaltrials
NCT03926338	clinicaltrials
NCT03949673	clinicaltrials
NCT03974932	clinicaltrials
NCT04015908	clinicaltrials
NCT04020588	clinicaltrials
NCT04041050	clinicaltrials
NCT04081389	clinicaltrials
NCT04082715	clinicaltrials
NCT04093323	clinicaltrials
NCT04120636	clinicaltrials
NCT04147013	clinicaltrials
NCT04162873	clinicaltrials
NCT04165850	clinicaltrials
NCT04176419	clinicaltrials
NCT04259333	clinicaltrials
NCT04342065	clinicaltrials
NCT04374981	clinicaltrials
NCT04429022	clinicaltrials
NCT04469530	clinicaltrials
NCT04488081	clinicaltrials
NCT04490434	clinicaltrials
NCT04526197	clinicaltrials
NCT04639804	clinicaltrials
NCT04673578	clinicaltrials
NCT04765644	clinicaltrials
NCT04765644	clinicaltrials
NCT04786548	clinicaltrials
NCT04788654	clinicaltrials
NCT04790812	clinicaltrials
NCT04814355	clinicaltrials
NCT04860635	clinicaltrials
NCT05062083	clinicaltrials
NCT05077332	clinicaltrials
NCT05077969	clinicaltrials
NCT05085574	clinicaltrials
NCT05232461	clinicaltrials
NCT05237297	clinicaltrials
NCT05256823	clinicaltrials
NCT05281276	clinicaltrials
NCT05288374	clinicaltrials
NCT05324163	clinicaltrials
NCT05324995	clinicaltrials
NCT05327751	clinicaltrials
NCT05362851	clinicaltrials
NCT05415397	clinicaltrials
NCT05434065	clinicaltrials
NCT05436678	clinicaltrials
NCT05438303	clinicaltrials
NCT05476679	clinicaltrials
NCT05488847	clinicaltrials
NCT05509946	clinicaltrials
NCT05509946	clinicaltrials
NCT05512013	clinicaltrials
NCT05547659	clinicaltrials
NCT05555823	clinicaltrials
NCT05578287	clinicaltrials
NCT05644301	clinicaltrials
NCT05731726	clinicaltrials
NCT05756166	clinicaltrials
NCT05852093	clinicaltrials
NCT05930080	clinicaltrials
NCT05965492	clinicaltrials
NCT05974501	clinicaltrials
NCT06004947	clinicaltrials
NCT06076837	clinicaltrials
NCT06159114	clinicaltrials
NCT06231758	clinicaltrials
NCT06245109	clinicaltrials
NCT06285617	clinicaltrials
NCT06316843	clinicaltrials
NCT06316843	clinicaltrials
NCT06336993	clinicaltrials
NCT06337422	clinicaltrials
NCT06379425	clinicaltrials
NCT06451783	clinicaltrials
Molport-002-885-815	molport
568	drugcentral
11639	bindingdb
The data in this table is sourced from UniChem at EBI.