Dataset

Ethisterone

This MassBank record with Accession MSBNK-BAFG-CSL2311107419 contains the MS2 mass spectrum of Ethisterone with the InChIkey CHNXZKVNWQUJIB-CEGNMAFCSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
SMILES C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]4(O)C#C
InChI Key CHNXZKVNWQUJIB-CEGNMAFCSA-N
Molecular Formula C21H28O2
Exact Mass 312.209 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311107419
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:56:51.367766
MetadataModified 2024-01-11T10:56:51.541254
MetadataPublished 2023-11-10
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables