A feasible strategy based on isotopic fine structures to enhance the reliability of metabolite identification by Fourier transform ion cyclotron resonance mass spectrometry

Rationale In the process of the identification of unknown metabolites, the most important thing is to determine their real chemical formulae according to the accurate masses which are determined by high‐resolution mass spectrometry. However, high mass accuracy alone is not enough to exclude false candidates. Use of isotopic fine structures (IFSs) derived from Fourier transform ion cyclotron resonance mass spectrometry (FT‐ICR MS) as a single...