Comprehensive Metabolomics Investigations by FTICR High Resolution Mass Spectrometry

Metabolomics aims at the qualitative and quantitative analysis of wide arrays of metabolites in biological samples. Taken all together, these numerous analytes possess diverse physico-chemical properties (i.e., MW and polarity) and usually occur at very different abundance levels. Consequently, comprehensive metabolomics investigations are really challenging for analytical chemistry, especially when untargeted metabolites are involved. Mass spectrometry (MS) is a dynamically emerging field and numerous MS-based platforms have been currently developed for metabolomic applications. Valuable information can be obtained by Fourier-transform ion cyclotron resonance MS (FTICR-MS) due to its ultra-high resolution (100,000–1,000,000) and high mass accuracy (< 1 ppm), which allows determination of elemental composition. Moreover, when high-resolution MSn experiments can be performed, detailed molecular structure information are allowed [1]. Liquid chromatography (LC) in conjunction high resolution MS is required in order to overcome the drawbacks of directly injecting complex samples, as reduced ion suppression caused by coeluting compounds. For example, the structure of N-acyl homoserine lactones, representing an important class of bacterial metabolites, was identified by LC with electrospray ionization (ESI) and FTICR-MS accurate mass measurements [2]. In this presentation, the tremendous LC-ESI-FTICR-MS performances to investigate the occurrence of metabolites in plant and biological sample, is presented [3] [1] A.G. Marshall, C.L. Hendrickson, G.S. Jackson, Mass Spectrom Rev, 1998, 17, 1–35. [2] T.R.I. Cataldi, G. Bianco, J. Fonseca, P. Schmitt-Kopplin, Anal Bioanal Chem, 2013, 405, 493-507. [3] G. Bianco, F. Lelario, G.F. Battista, S.A. Bufo, T.R.I. Cataldi, J Mass Spectrom, 2012, 47, 1160-1169.