Incorporating CCS Values to Enable 4-Dimensional Annotation of Metabolic Features

Reliable annotation of metabolites for LC-MS/MS based data requires the adept combination of many parameters. To extend our parameter portfolio we analyzed trapped ion mobility spectrometry (TIMS) data.

contributed by Bruker | 08/26/2020

Introduction

We investigated the reproducibility of CCS values for intra- and inter-lab measurements. Furthermore, we compared the measured CCS values to those from literature, and we applied these to a sample comparison. From the present results, we conclude that CCS values serve as an excellent additional filter for metabolite annotation.

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