Efficient Peak Integration for Metabolomics Data Using PeakintelligenceTM -Application to Single Quadrupole LC-MS data -

User Benefits

- The peak processing software Peakintelligence reduces the time and effort required for peak integration. - With no need to specify parameter settings, it provides the same level of results as experienced users regardless of who performs peak integration.

Introduction

In recent years, with the remarkable development of mass spectrometry technology, the number of metabolites being analyzed has increased, and it is not uncommon to analyze more than 100 compounds at once. In the analysis of multi- component and multi-sample data such as metabolomics, it is necessary to visually confirm a large number of peaks, so peak picking takes a long time and is a heavy workload. Even an analysis with a small number of compounds can have a huge cumulative effort if it is repeated in a routine analysis. In addition, human errors and the habits of each person pose risks affecting analysis results, and a peak processing algorithm that can reduce these risks is desirable. Peakintelligence is peak processing software with algorithms developed using artificial intelligence (AI) for liquid chromatograph mass spectrometers (LC/MS). This article describes an example of using Peakintelligence software to reduce the labor requirement and increase the efficiency of the peak integration process in metabolomics data of single quadrupole mass spectrometers.

May 31, 2022 GMT