Fig. 1: The Met4DX workflow for ion mobility-resolved untargeted metabolomics.
From: A mass spectrum-oriented computational method for ion mobility-resolved untargeted metabolomics
a The multidimensional separations and measurements of metabolites using LC–IM–MS/MS technology. b–e Four major modules in Met4DX: b MS2 spectral dereplication; c the bottom-up assembly algorithm for 4D peak detection; d 4D peak alignment and grouping; and e multidimensional match for metabolite annotation. The black dot in (b) represents the precursor ion of an MS2 spectrum.
