Dataset

Prednisolone; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-WANA031403B085PH contains the MS2 mass spectrum of Prednisolone with the InChIkey OIGNJSKKLXVSLS-VWUMJDOOSA-N.

Chemical Information

InChI	InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
SMILES	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
InChI Key	OIGNJSKKLXVSLS-VWUMJDOOSA-N
Molecular Formula	C21H28O5
Exact Mass	360.194 g/mol

Data and Resources

PrednisoloneHTML

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Related Molecule ⌄

(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-WANA031403B085PH
Version
Author
Maintainer
Language
MetadataPublished	2023-08-12
Related Molecule	(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB00860	drugbank
CHEBI:8378	chebi
LMST02030179	lipidmaps
TUA	rcsb_pdb
CHEMBL131	chembl
3233	surechembl
5755	pubchem
9PHQ9Y1OLM	fdasrs
TUA	pdbe
PD002902	probes_and_drugs
JIWPEL	CCDC
104300	brenda
12663	brenda
145212	brenda
31999	brenda
90422	brenda
HMDB0014998	hmdb
DTXSID9021184	comptox
NCT00002531	clinicaltrials
NCT00002532	clinicaltrials
NCT00002576	clinicaltrials
NCT00002700	clinicaltrials
NCT00002757	clinicaltrials
NCT00002987	clinicaltrials
NCT00003421	clinicaltrials
NCT00003423	clinicaltrials
NCT00003437	clinicaltrials
NCT00003603	clinicaltrials
NCT00003728	clinicaltrials
NCT00003815	clinicaltrials
NCT00004034	clinicaltrials
NCT00004218	clinicaltrials
NCT00004357	clinicaltrials
NCT00005867	clinicaltrials
NCT00015873	clinicaltrials
NCT00025064	clinicaltrials
NCT00031902	clinicaltrials
NCT00032149	clinicaltrials
NCT00057421	clinicaltrials
NCT00079105	clinicaltrials
NCT00115700	clinicaltrials
NCT00130195	clinicaltrials
NCT00131027	clinicaltrials
NCT00131053	clinicaltrials
NCT00134693	clinicaltrials
NCT00135122	clinicaltrials
NCT00138970	clinicaltrials
NCT00138970	clinicaltrials
NCT00180661	clinicaltrials
NCT00195273	clinicaltrials
NCT00198523	clinicaltrials
NCT00198978	clinicaltrials
NCT00198991	clinicaltrials
NCT00199004	clinicaltrials
NCT00199017	clinicaltrials
NCT00199056	clinicaltrials
NCT00199069	clinicaltrials
NCT00199082	clinicaltrials
NCT00213252	clinicaltrials
NCT00213252	clinicaltrials
NCT00239278	clinicaltrials
NCT00241982	clinicaltrials
NCT00244166	clinicaltrials
NCT00257933	clinicaltrials
NCT00259779	clinicaltrials
NCT00261820	clinicaltrials
NCT00262210	clinicaltrials
NCT00265772	clinicaltrials
NCT00268476	clinicaltrials
NCT00275106	clinicaltrials
NCT00299013	clinicaltrials
NCT00308321	clinicaltrials
NCT00311961	clinicaltrials
NCT00312325	clinicaltrials
NCT00312520	clinicaltrials
NCT00327197	clinicaltrials
NCT00331058	clinicaltrials
NCT00354198	clinicaltrials
NCT00354731	clinicaltrials
NCT00355199	clinicaltrials
NCT00355862	clinicaltrials
NCT00372294	clinicaltrials
NCT00379574	clinicaltrials
NCT00379730	clinicaltrials
NCT00379990	clinicaltrials
NCT00380133	clinicaltrials
NCT00384306	clinicaltrials
NCT00400946	clinicaltrials
NCT00404794	clinicaltrials
NCT00404794	clinicaltrials
NCT00404833	clinicaltrials
NCT00425438	clinicaltrials
NCT00430677	clinicaltrials
NCT00433459	clinicaltrials
NCT00443430	clinicaltrials
NCT00445081	clinicaltrials
NCT00451594	clinicaltrials
NCT00456339	clinicaltrials
NCT00473746	clinicaltrials
NCT00481819	clinicaltrials
NCT00494624	clinicaltrials
NCT00494780	clinicaltrials
NCT00498797	clinicaltrials
NCT00510263	clinicaltrials
NCT00513955	clinicaltrials
NCT00519285	clinicaltrials
NCT00521989	clinicaltrials
NCT00526409	clinicaltrials
NCT00539565	clinicaltrials
NCT00539799	clinicaltrials
NCT00551707	clinicaltrials
NCT00552526	clinicaltrials
NCT00554502	clinicaltrials
NCT00554918	clinicaltrials
NCT00562068	clinicaltrials
NCT00562965	clinicaltrials
NCT00575406	clinicaltrials
NCT00600639	clinicaltrials
NCT00609752	clinicaltrials
NCT00618501	clinicaltrials
NCT00623766	clinicaltrials
NCT00624416	clinicaltrials
NCT00627731	clinicaltrials
NCT00632554	clinicaltrials
NCT00634920	clinicaltrials
NCT00637832	clinicaltrials
NCT00638690	clinicaltrials
NCT00662298	clinicaltrials
NCT00666484	clinicaltrials
NCT00669812	clinicaltrials
NCT00678327	clinicaltrials
NCT00687648	clinicaltrials
NCT00694408	clinicaltrials
NCT00699803	clinicaltrials
NCT00707759	clinicaltrials
NCT00723268	clinicaltrials
NCT00724022	clinicaltrials
NCT00744666	clinicaltrials
NCT00751205	clinicaltrials
NCT00753103	clinicaltrials
NCT00778596	clinicaltrials
NCT00788749	clinicaltrials
NCT00796250	clinicaltrials
NCT00805519	clinicaltrials
NCT00810849	clinicaltrials
NCT00812825	clinicaltrials
NCT00822809	clinicaltrials
NCT00836810	clinicaltrials
NCT00842933	clinicaltrials
NCT00854061	clinicaltrials
NCT00862979	clinicaltrials
NCT00890253	clinicaltrials
NCT00908089	clinicaltrials
NCT00908089	clinicaltrials
NCT00919542	clinicaltrials
NCT00919776	clinicaltrials
NCT00919815	clinicaltrials
NCT00920660	clinicaltrials
NCT00920933	clinicaltrials
NCT00934154	clinicaltrials
NCT00945724	clinicaltrials
NCT00967226	clinicaltrials
NCT00971763	clinicaltrials
NCT00981435	clinicaltrials
NCT00982072	clinicaltrials
NCT00984568	clinicaltrials
NCT00985959	clinicaltrials
NCT00991744	clinicaltrials
NCT01005758	clinicaltrials
NCT01045837	clinicaltrials
NCT01068392	clinicaltrials
NCT01074437	clinicaltrials
NCT01085097	clinicaltrials
NCT01086410	clinicaltrials
NCT01088750	clinicaltrials
NCT01095172	clinicaltrials
NCT01134432	clinicaltrials
NCT01179490	clinicaltrials
NCT01185197	clinicaltrials
NCT01200758	clinicaltrials
NCT01211665	clinicaltrials
NCT01217697	clinicaltrials
NCT01272635	clinicaltrials
NCT01275638	clinicaltrials
NCT01288131	clinicaltrials
NCT01299948	clinicaltrials
NCT01303887	clinicaltrials
NCT01304836	clinicaltrials
NCT01308580	clinicaltrials
NCT01324583	clinicaltrials
NCT01353235	clinicaltrials
NCT01369745	clinicaltrials
NCT01370694	clinicaltrials
NCT01381874	clinicaltrials
NCT01381874	clinicaltrials
NCT01395251	clinicaltrials
NCT01427114	clinicaltrials
NCT01429701	clinicaltrials
NCT01455337	clinicaltrials
NCT01471340	clinicaltrials
NCT01476787	clinicaltrials
NCT01485861	clinicaltrials
NCT01529229	clinicaltrials
NCT01529242	clinicaltrials
NCT01539083	clinicaltrials
NCT01550445	clinicaltrials
NCT01560572	clinicaltrials
NCT01575639	clinicaltrials
NCT01590173	clinicaltrials
NCT01601106	clinicaltrials
NCT01603030	clinicaltrials
NCT01603030	clinicaltrials
NCT01612377	clinicaltrials
NCT01615874	clinicaltrials
NCT01619163	clinicaltrials
NCT01621321	clinicaltrials
NCT01650701	clinicaltrials
NCT01679119	clinicaltrials
NCT01685983	clinicaltrials
NCT01691508	clinicaltrials
NCT01719835	clinicaltrials
NCT01720485	clinicaltrials
NCT01724021	clinicaltrials
NCT01724021	clinicaltrials
NCT01748162	clinicaltrials
NCT01756638	clinicaltrials
NCT01762787	clinicaltrials
NCT01763580	clinicaltrials
NCT01773616	clinicaltrials
NCT01795703	clinicaltrials
NCT01828437	clinicaltrials
NCT01831505	clinicaltrials
NCT01834209	clinicaltrials
NCT01843348	clinicaltrials
NCT01880307	clinicaltrials
NCT01884428	clinicaltrials
NCT01897571	clinicaltrials
NCT01903798	clinicaltrials
NCT01908972	clinicaltrials
NCT01948401	clinicaltrials
NCT01950819	clinicaltrials
NCT01972217	clinicaltrials
NCT01992653	clinicaltrials
NCT02000336	clinicaltrials
NCT02004782	clinicaltrials
NCT02028754	clinicaltrials
NCT02042391	clinicaltrials
NCT02043678	clinicaltrials
NCT02074137	clinicaltrials
NCT02077556	clinicaltrials
NCT02160353	clinicaltrials
NCT02167217	clinicaltrials
NCT02217631	clinicaltrials
NCT02224105	clinicaltrials
NCT02224105	clinicaltrials
NCT02229136	clinicaltrials
NCT02265328	clinicaltrials
NCT02281929	clinicaltrials
NCT02288247	clinicaltrials
NCT02299115	clinicaltrials
NCT02314312	clinicaltrials
NCT02339350	clinicaltrials
NCT02344888	clinicaltrials
NCT02373137	clinicaltrials
NCT02375867	clinicaltrials
NCT02401529	clinicaltrials
NCT02405858	clinicaltrials
NCT02425852	clinicaltrials
NCT02441894	clinicaltrials
NCT02460588	clinicaltrials
NCT02466581	clinicaltrials
NCT02472054	clinicaltrials
NCT02512575	clinicaltrials
NCT02517684	clinicaltrials
NCT02528214	clinicaltrials
NCT02547623	clinicaltrials
NCT02557269	clinicaltrials
NCT02585258	clinicaltrials
NCT02587117	clinicaltrials
NCT02613910	clinicaltrials
NCT02618057	clinicaltrials
NCT02629042	clinicaltrials
NCT02631603	clinicaltrials
NCT02644499	clinicaltrials
NCT02662283	clinicaltrials
NCT02670616	clinicaltrials
NCT02686619	clinicaltrials
NCT02688985	clinicaltrials
NCT02695797	clinicaltrials
NCT02741271	clinicaltrials
NCT02760316	clinicaltrials
NCT02760316	clinicaltrials
NCT02819648	clinicaltrials
NCT02828358	clinicaltrials
NCT02836496	clinicaltrials
NCT02854631	clinicaltrials
NCT02855502	clinicaltrials
NCT02857842	clinicaltrials
NCT02881086	clinicaltrials
NCT02889523	clinicaltrials
NCT02894645	clinicaltrials
NCT02904772	clinicaltrials
NCT02912182	clinicaltrials
NCT02930343	clinicaltrials
NCT02935101	clinicaltrials
NCT02949232	clinicaltrials
NCT02949349	clinicaltrials
NCT03007147	clinicaltrials
NCT03067753	clinicaltrials
NCT03072238	clinicaltrials
NCT03087968	clinicaltrials
NCT03111810	clinicaltrials
NCT03141970	clinicaltrials
NCT03156452	clinicaltrials
NCT03172325	clinicaltrials
NCT03188068	clinicaltrials
NCT03198013	clinicaltrials
NCT03200561	clinicaltrials
NCT03204760	clinicaltrials
NCT03206671	clinicaltrials
NCT03210688	clinicaltrials
NCT03265405	clinicaltrials
NCT03286634	clinicaltrials
NCT03298061	clinicaltrials
NCT03303053	clinicaltrials
NCT03324503	clinicaltrials
NCT03340909	clinicaltrials
NCT03368235	clinicaltrials
NCT03368664	clinicaltrials
NCT03380559	clinicaltrials
NCT03383328	clinicaltrials
NCT03383328	clinicaltrials
NCT03407144	clinicaltrials
NCT03465527	clinicaltrials
NCT03490487	clinicaltrials
NCT03503227	clinicaltrials
NCT03560466	clinicaltrials
NCT03576794	clinicaltrials
NCT03585556	clinicaltrials
NCT03585829	clinicaltrials
NCT03586999	clinicaltrials
NCT03590912	clinicaltrials
NCT03593759	clinicaltrials
NCT03610685	clinicaltrials
NCT03643107	clinicaltrials
NCT03643276	clinicaltrials
NCT03708718	clinicaltrials
NCT03760835	clinicaltrials
NCT03765788	clinicaltrials
NCT03777319	clinicaltrials
NCT03781700	clinicaltrials
NCT03782532	clinicaltrials
NCT03792256	clinicaltrials
NCT03834519	clinicaltrials
NCT03899337	clinicaltrials
NCT03902912	clinicaltrials
NCT03914625	clinicaltrials
NCT03920007	clinicaltrials
NCT03933631	clinicaltrials
NCT03936517	clinicaltrials
NCT03942887	clinicaltrials
NCT03958344	clinicaltrials
NCT03959085	clinicaltrials
NCT03962894	clinicaltrials
NCT03967925	clinicaltrials
NCT04005079	clinicaltrials
NCT04043494	clinicaltrials
NCT04071262	clinicaltrials
NCT04078568	clinicaltrials
NCT04098718	clinicaltrials
NCT04124822	clinicaltrials
NCT04146220	clinicaltrials
NCT04161898	clinicaltrials
NCT04181489	clinicaltrials
NCT04227483	clinicaltrials
NCT04281862	clinicaltrials
NCT04300556	clinicaltrials
NCT04311632	clinicaltrials
NCT04314193	clinicaltrials
NCT04362384	clinicaltrials
NCT04396990	clinicaltrials
NCT04462523	clinicaltrials
NCT04479267	clinicaltrials
NCT04536181	clinicaltrials
NCT04549935	clinicaltrials
NCT04556760	clinicaltrials
NCT04608981	clinicaltrials
NCT04610476	clinicaltrials
NCT04652739	clinicaltrials
NCT04701034	clinicaltrials
NCT04706741	clinicaltrials
NCT04733144	clinicaltrials
NCT04736108	clinicaltrials
NCT04744623	clinicaltrials
NCT04759586	clinicaltrials
NCT04765371	clinicaltrials
NCT04780464	clinicaltrials
NCT04797325	clinicaltrials
NCT04862221	clinicaltrials
NCT04873583	clinicaltrials
NCT04914741	clinicaltrials
NCT04915456	clinicaltrials
NCT05003089	clinicaltrials
NCT05023304	clinicaltrials
NCT05143502	clinicaltrials
NCT05157412	clinicaltrials
NCT05214911	clinicaltrials
NCT05283954	clinicaltrials
NCT05284136	clinicaltrials
NCT05288166	clinicaltrials
NCT05295927	clinicaltrials
NCT05320380	clinicaltrials
NCT05328414	clinicaltrials
NCT05331664	clinicaltrials
NCT05341401	clinicaltrials
NCT05369039	clinicaltrials
NCT05406401	clinicaltrials
NCT05406999	clinicaltrials
NCT05412394	clinicaltrials
NCT05436652	clinicaltrials
NCT05468320	clinicaltrials
NCT05474924	clinicaltrials
NCT05489211	clinicaltrials
NCT05510323	clinicaltrials
NCT05548738	clinicaltrials
NCT05570409	clinicaltrials
NCT05570409	clinicaltrials
NCT05619653	clinicaltrials
NCT05626387	clinicaltrials
NCT05626387	clinicaltrials
NCT05638633	clinicaltrials
NCT05639127	clinicaltrials
NCT05675410	clinicaltrials
NCT05694130	clinicaltrials
NCT05698680	clinicaltrials
NCT05725512	clinicaltrials
NCT05749666	clinicaltrials
NCT05761171	clinicaltrials
NCT05768282	clinicaltrials
NCT05776459	clinicaltrials
NCT05820841	clinicaltrials
NCT05821075	clinicaltrials
NCT05861297	clinicaltrials
NCT05888493	clinicaltrials
NCT05947669	clinicaltrials
NCT05961202	clinicaltrials
NCT05984381	clinicaltrials
NCT06091254	clinicaltrials
NCT06091865	clinicaltrials
NCT06120673	clinicaltrials
NCT06124157	clinicaltrials
NCT06143891	clinicaltrials
NCT06174922	clinicaltrials
NCT06185426	clinicaltrials
NCT06188676	clinicaltrials
NCT06201897	clinicaltrials
NCT06220032	clinicaltrials
NCT06260904	clinicaltrials
NCT06281236	clinicaltrials
NCT06317662	clinicaltrials
NCT06320067	clinicaltrials
NCT06336395	clinicaltrials
NCT06421597	clinicaltrials
NCT06471465	clinicaltrials
NCT06472219	clinicaltrials
NCT06483802	clinicaltrials
Molport-002-507-147	molport
2245	drugcentral
19190	bindingdb
The data in this table is sourced from UniChem at EBI.