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使用MAVEN进行液相色谱-质谱数据处理：一种代谢组学分析与可视化引擎

LC-MS data processing with MAVEN: a metabolomic analysis and visualization engine.

作者信息

Clasquin Michelle F, Melamud Eugene, Rabinowitz Joshua D

机构信息

Department of Chemistry and Integrative Genomics, Carl Icahn Laboratory, Princeton, New Jersey, USA.

出版信息

Curr Protoc Bioinformatics. 2012 Mar;Chapter 14:Unit14.11. doi: 10.1002/0471250953.bi1411s37.

DOI:10.1002/0471250953.bi1411s37
PMID:22389014
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4055029/
Abstract

MAVEN is an open-source software program for interactive processing of LC-MS-based metabolomics data. MAVEN enables rapid and reliable metabolite quantitation from multiple reaction monitoring data or high-resolution full-scan mass spectrometry data. It automatically detects and reports peak intensities for isotope-labeled metabolites. Menu-driven, click-based navigation allows visualization of raw and analyzed data. Here we provide a User Guide for MAVEN. Step-by-step instructions are provided for data import, peak alignment across samples, identification of metabolites that differ strongly between biological conditions, quantitation and visualization of isotope-labeling patterns, and export of tables of metabolite-specific peak intensities. Together, these instructions describe a workflow that allows efficient processing of raw LC-MS data into a form ready for biological analysis.

摘要

MAVEN是一款用于基于液相色谱-质谱联用（LC-MS）的代谢组学数据交互式处理的开源软件程序。MAVEN能够从多反应监测数据或高分辨率全扫描质谱数据中快速且可靠地进行代谢物定量分析。它会自动检测并报告同位素标记代谢物的峰强度。菜单驱动、基于点击的导航方式可实现原始数据和分析后数据的可视化。在此，我们提供MAVEN用户指南。针对数据导入、跨样本峰对齐、鉴定生物条件间差异显著的代谢物、同位素标记模式的定量分析和可视化以及代谢物特异性峰强度表格的导出，我们给出了详细的分步说明。这些说明共同描述了一个工作流程，该流程能将原始LC-MS数据高效处理成可供生物学分析的形式。

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