Gas Chromatography Coupled to Atmospheric Pressure Chemical Ionization High-Resolution Mass Spectrometry for Metabolite Fingerprinting of Grape (Vitis vinifera L) Berry

Abstract

This chapter describes the application of atmospheric pressure chemical ionization in conjunction with gas chromatography (APGC) coupled to high-resolution mass spectrometry for profiling metabolites in plant and fruit extracts. The APGC technique yields molecular ions and limited fragmentation of volatile or derivatized compounds. The data-independent acquisition mode, MS^E, was used for measuring precursor and fragment ions with high resolution using a quadrupole ion mobility time-of-flight mass spectrometry system. We demonstrate the importance of acquiring accurate mass information in conjunction with accurate mass fragment ions for efficient database searching and compound assignments with high confidence. We demonstrate the application of APGC-MS^E for obtaining metabolite data for grape berry extracts after derivatization.

Keywords: APGC; Accurate mass analysis metabolite profiling; Atmospheric pressure gas chromatography; Grape; MSE; Time-of-flight mass spectrometry.