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“notame”：非靶向液相色谱-质谱代谢谱分析工作流程。

"notame": Workflow for Non-Targeted LC-MS Metabolic Profiling.

作者信息

Klåvus Anton, Kokla Marietta, Noerman Stefania, Koistinen Ville M, Tuomainen Marjo, Zarei Iman, Meuronen Topi, Häkkinen Merja R, Rummukainen Soile, Farizah Babu Ambrin, Sallinen Taisa, Kärkkäinen Olli, Paananen Jussi, Broadhurst David, Brunius Carl, Hanhineva Kati

机构信息

University of Eastern Finland, Department of Clinical Nutrition and Public Health, 70210 Kuopio, Finland.

University of Eastern Finland, School of Pharmacy, 70210 Kuopio, Finland.

出版信息

Metabolites. 2020 Mar 31;10(4):135. doi: 10.3390/metabo10040135.

DOI:10.3390/metabo10040135
PMID:32244411
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7240970/
Abstract

Metabolomics analysis generates vast arrays of data, necessitating comprehensive workflows involving expertise in analytics, biochemistry and bioinformatics in order to provide coherent and high-quality data that enable discovery of robust and biologically significant metabolic findings. In this protocol article, we introduce notame, an analytical workflow for non-targeted metabolic profiling approaches, utilizing liquid chromatography-mass spectrometry analysis. We provide an overview of lab protocols and statistical methods that we commonly practice for the analysis of nutritional metabolomics data. The paper is divided into three main sections: the first and second sections introducing the background and the study designs available for metabolomics research and the third section describing in detail the steps of the main methods and protocols used to produce, preprocess and statistically analyze metabolomics data and, finally, to identify and interpret the compounds that have emerged as interesting.

摘要

代谢组学分析会产生大量数据，因此需要综合的工作流程，涉及分析学、生物化学和生物信息学等专业知识，以便提供连贯且高质量的数据，从而发现可靠且具有生物学意义的代谢结果。在这篇方案文章中，我们介绍了notame，这是一种用于非靶向代谢谱分析方法的分析工作流程，利用液相色谱-质谱分析。我们概述了常用于营养代谢组学数据分析的实验室方案和统计方法。本文分为三个主要部分：第一部分和第二部分介绍代谢组学研究的背景和可用的研究设计，第三部分详细描述用于生成、预处理和统计分析代谢组学数据，以及最终识别和解释已出现的有趣化合物的主要方法和方案的步骤。

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