Dataset

Deoxycorticosterone acetate

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N103706_FB57 contains the MS2 mass spectrum of Deoxycorticosterone acetate with the InChIkey VPGRYOFKCNULNK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3
SMILES CC(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
InChI Key VPGRYOFKCNULNK-UHFFFAOYSA-N
Molecular Formula C23H32O4
Exact Mass 372.230 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N103706_FB57
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:36:53.694283
MetadataModified 2025-02-08T18:51:25.792715
MetadataPublished 2022-04-07
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL1021137 SureChEMBL
3001 PubChem
PD056379 ProbesDrugs
611648 eMolecules
HMDB0251003 Human Metabolome Database
MCULE-9107883806 Mcule
The data in this table is sourced from UniChem at EBI.