New Workflow for Metabolomics Combining LC-QTOFMS and LC-TQMS

User Benefits

- Realizes a new workflow that seamlessly combines the strengths of two measurement methods. - Provides highly reliable and easily interpretable results in complex and comprehensive metabolomics analyses.

Introduction

Metabolomics utilizing the mass spectrometer (MS) has been a focus of interest in the clinical research and food product development fields in recent years. In metabolomics, the metabolites of amino acids, organic acids, and other low molecular compounds formed by cellular activity are measured comprehensively, and the differences and relationships among multiple sample groups are clarified. As the general workflow, the metabolites are measured inclusively with a high resolution mass spectrometer such as a Quadrupole-Time of Flight (QTOF) MS, a dataset is created from the acquired data, and a multivariate analysis is conducted. This process normally yields an enormous amount of peak information, numbering from several 1000 to several 10000 peaks, but this information also includes peaks with low repeatability or quantitativity, which must be excluded in order to obtain a more reliable dataset (i.e., data preprocessing). This article introduces a new workflow for metabolomics using a combination of an LC-QTOFMS and a Triple Quadrupole (TQ) MS. As demonstrated here, by conducting a high reliability wide- targeted metabolomics analysis using the information acquired by a non-targeted measurement, it is possible to create a high quality dataset and construct a model by multivariate analysis or machine learning.

January 6, 2022 GMT