Dataset

Spironolactone; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA000351 contains the MS mass spectrum of Spironolactone with the InChIkey LXMSZDCAJNLERA-ZHYRCANASA-N.

Chemical Information

InChI	InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1
SMILES	C(C23[H])(SC(C)=O)CC(C(C2([H])CCC(C(C5)(OC(=O)C5)4)(C3([H])CC4)C)(C)1)=CC(=O)CC1
InChI Key	LXMSZDCAJNLERA-ZHYRCANASA-N
Molecular Formula	C24H32O4S
Exact Mass	416.202 g/mol

Data and Resources

SpironolactoneHTML

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Related Molecule ⌄

S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000351
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB00421	drugbank
CHEBI:9241	chebi
SNL	rcsb_pdb
CHEMBL1393	chembl
20939	surechembl
5833	pubchem
27O7W4T232	fdasrs
SNL	pdbe
PD002860	probes_and_drugs
ATPRCL	CCDC
HMDB0014565	hmdb
DTXSID6034186	comptox
NCT00001202	clinicaltrials
NCT00004311	clinicaltrials
NCT00094302	clinicaltrials
NCT00106561	clinicaltrials
NCT00123955	clinicaltrials
NCT00141778	clinicaltrials
NCT00175617	clinicaltrials
NCT00188045	clinicaltrials
NCT00206232	clinicaltrials
NCT00226109	clinicaltrials
NCT00240656	clinicaltrials
NCT00277693	clinicaltrials
NCT00291720	clinicaltrials
NCT00306696	clinicaltrials
NCT00317954	clinicaltrials
NCT00328809	clinicaltrials
NCT00332904	clinicaltrials
NCT00335413	clinicaltrials
NCT00353652	clinicaltrials
NCT00381134	clinicaltrials
NCT00391846	clinicaltrials
NCT00430794	clinicaltrials
NCT00523757	clinicaltrials
NCT00524615	clinicaltrials
NCT00527059	clinicaltrials
NCT00548912	clinicaltrials
NCT00574119	clinicaltrials
NCT00604006	clinicaltrials
NCT00637078	clinicaltrials
NCT00663195	clinicaltrials
NCT00664222	clinicaltrials
NCT00741663	clinicaltrials
NCT00857909	clinicaltrials
NCT00865449	clinicaltrials
NCT00865501	clinicaltrials
NCT00870402	clinicaltrials
NCT00879060	clinicaltrials
NCT01021943	clinicaltrials
NCT01059136	clinicaltrials
NCT01062763	clinicaltrials
NCT01069510	clinicaltrials
NCT01083290	clinicaltrials
NCT01089309	clinicaltrials
NCT01103245	clinicaltrials
NCT01103245	clinicaltrials
NCT01128101	clinicaltrials
NCT01130597	clinicaltrials
NCT01147523	clinicaltrials
NCT01198496	clinicaltrials
NCT01294319	clinicaltrials
NCT01314898	clinicaltrials
NCT01345656	clinicaltrials
NCT01371747	clinicaltrials
NCT01388088	clinicaltrials
NCT01407471	clinicaltrials
NCT01468571	clinicaltrials
NCT01488877	clinicaltrials
NCT01510795	clinicaltrials
NCT01552044	clinicaltrials
NCT01586442	clinicaltrials
NCT01598740	clinicaltrials
NCT01602861	clinicaltrials
NCT01643434	clinicaltrials
NCT01687699	clinicaltrials
NCT01691053	clinicaltrials
NCT01712620	clinicaltrials
NCT01721655	clinicaltrials
NCT01756677	clinicaltrials
NCT01821703	clinicaltrials
NCT01843309	clinicaltrials
NCT01848639	clinicaltrials
NCT01853553	clinicaltrials
NCT01855334	clinicaltrials
NCT01867294	clinicaltrials
NCT01944384	clinicaltrials
NCT01973335	clinicaltrials
NCT02040441	clinicaltrials
NCT02046668	clinicaltrials
NCT02053974	clinicaltrials
NCT02169089	clinicaltrials
NCT02194465	clinicaltrials
NCT02230891	clinicaltrials
NCT02235077	clinicaltrials
NCT02236520	clinicaltrials
NCT02253394	clinicaltrials
NCT02285920	clinicaltrials
NCT02299726	clinicaltrials
NCT02354352	clinicaltrials
NCT02369081	clinicaltrials
NCT02426099	clinicaltrials
NCT02429388	clinicaltrials
NCT02483195	clinicaltrials
NCT02497300	clinicaltrials
NCT02501213	clinicaltrials
NCT02502981	clinicaltrials
NCT02531412	clinicaltrials
NCT02575963	clinicaltrials
NCT02585843	clinicaltrials
NCT02673463	clinicaltrials
NCT02689843	clinicaltrials
NCT02764619	clinicaltrials
NCT02832973	clinicaltrials
NCT02883400	clinicaltrials
NCT02901184	clinicaltrials
NCT02907749	clinicaltrials
NCT02948998	clinicaltrials
NCT03020303	clinicaltrials
NCT03048825	clinicaltrials
NCT03068910	clinicaltrials
NCT03071263	clinicaltrials
NCT03206658	clinicaltrials
NCT03314493	clinicaltrials
NCT03329443	clinicaltrials
NCT03334682	clinicaltrials
NCT03344159	clinicaltrials
NCT03429946	clinicaltrials
NCT03502031	clinicaltrials
NCT03551548	clinicaltrials
NCT03576755	clinicaltrials
NCT03593317	clinicaltrials
NCT03597035	clinicaltrials
NCT03682497	clinicaltrials
NCT03744767	clinicaltrials
NCT03777319	clinicaltrials
NCT03867682	clinicaltrials
NCT03909529	clinicaltrials
NCT03929718	clinicaltrials
NCT03953209	clinicaltrials
NCT03953950	clinicaltrials
NCT03981861	clinicaltrials
NCT03984591	clinicaltrials
NCT04075149	clinicaltrials
NCT04100083	clinicaltrials
NCT04190433	clinicaltrials
NCT04205136	clinicaltrials
NCT04283656	clinicaltrials
NCT04327232	clinicaltrials
NCT04331691	clinicaltrials
NCT04345887	clinicaltrials
NCT04393493	clinicaltrials
NCT04455178	clinicaltrials
NCT04465123	clinicaltrials
NCT04495712	clinicaltrials
NCT04522739	clinicaltrials
NCT04582383	clinicaltrials
NCT04618601	clinicaltrials
NCT04643691	clinicaltrials
NCT04676646	clinicaltrials
NCT04723862	clinicaltrials
NCT04727073	clinicaltrials
NCT04760717	clinicaltrials
NCT04826822	clinicaltrials
NCT04853355	clinicaltrials
NCT04901975	clinicaltrials
NCT05010707	clinicaltrials
NCT05092984	clinicaltrials
NCT05222191	clinicaltrials
NCT05230901	clinicaltrials
NCT05394142	clinicaltrials
NCT05676684	clinicaltrials
NCT05754684	clinicaltrials
NCT05807139	clinicaltrials
NCT05814770	clinicaltrials
NCT05849766	clinicaltrials
NCT05995392	clinicaltrials
NCT06005259	clinicaltrials
NCT06021860	clinicaltrials
NCT06035978	clinicaltrials
NCT06164379	clinicaltrials
NCT06204640	clinicaltrials
NCT06205407	clinicaltrials
NCT06275763	clinicaltrials
NCT06413082	clinicaltrials
Molport-033-355-721	molport
2475	drugcentral
50228080	bindingdb
The data in this table is sourced from UniChem at EBI.