Dataset

Canrenone

This MassBank record with Accession MSBNK-Athens_Univ-AU239403 contains the MS2 mass spectrum of Canrenone with the InChIkey UJVLDDZCTMKXJK-AFDHUMPMSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16?,17-,18-,20?,21?,22?/m0/s1
SMILES CC12CC[C@H]3C(C=CC4=CC(=O)CCC34C)[C@@H]1CCC21CCC(=O)O1
InChI Key UJVLDDZCTMKXJK-AFDHUMPMSA-N
Molecular Formula C22H28O3
Exact Mass 340.204 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-Athens_Univ-AU239403
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:53:34.061890
MetadataModified 2025-02-08T19:09:01.254588
MetadataPublished 2019-05-31
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
26941609 eMolecules
181292 ChEBI
24728626 PubChem
The data in this table is sourced from UniChem at EBI.