Michel W.F. Nielen

In food analysis, many different biological matrices are investigated containing numerous compounds that can interfere with liquid chromatographyÐmass spectrometry (LC–MS) analysis. To overcome the challenges that arise with these highly complex matrices, the additional separation of analytes and matrix compounds complementing chromatographic separation is becoming more significant. In this article, the potential of IM-MS to increase selectivity and for additional identity confirmation is investigated. An extensive evaluation of IM-MS instruments was performed on a broad test set of food safety contaminants. The tested IM-MS platforms were DMS, TWIMS, low field DTIMS, and TIMS. CCS data were determined using the different instruments, and the ability to separate isomers and compounds of interest from sample matrix in the IM dimension was explored.

This article describes open access sofware for the modelling and prediction of retention times in gas and liquid chromatography. This software provides useful results for food analysis.