Same, but different: Variations in fragment ions among stereoisomers of a 17α-methyl steroid in gas chromatography/electron ionization mass spectrometry.

ABSTRACT:

Rationale

Gas chromatography/electron ionization mass spectrometry (GC/EI-MS) is a well-established tool for the identification of unknown compounds such as new metabolites of xenobiotics. But it reaches the limits of confident structural assignment if it comes to stereoisomers. This work helps to overcome this difficulty by getting a deeper comprehension of composition of so far unspecific and also characteristic fragment ions in general and comparison among stereoisomers.

Methods

Unit mass resolution mass spectra of various isotopologues of four 17α-methyl steroid diastereomers obtained by selectively introducing [²H₉]-trimethylsilyl (TMS) groups or chemical syntheses were systematically compared. The impact of stereochemistry on variations of relativ

SUBMITTER: Steff J 

PROVIDER: S-EPMC11599789 | biostudies-literature | 2025 Jan

REPOSITORIES: biostudies-literature