Dataset

Spironolactone

This MassBank record with Accession MSBNK-Waters-WA000350 contains the MS mass spectrum of Spironolactone with the InChIkey LXMSZDCAJNLERA-ZHYRCANASA-N.

Chemical Info

molecular Image
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

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000350
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MetadataCreated 2024-01-11T22:41:56.682043
MetadataModified 2025-02-09T20:27:26.591738
MetadataPublished 2016-01-19
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