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

LC-MS data processing with MAVEN: a metabolomic analysis and visualization engine.
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DOI:
10.1002/0471250953.bi1411s37
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发表时间:
2012-03
影响因子:
--
通讯作者:
Rabinowitz, Joshua D
Rabinowitz, Joshua D
中科院分区:
其他
文献类型:
--
作者:
Clasquin, Michelle F;Melamud, Eugene;Rabinowitz, Joshua D

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MAVEN是一个开源软件程序,用于交互式处理基于LC-MS的代谢组学数据。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可靠地定量代谢物。它可以自动检测和报告同位素标记代谢物的峰强度。菜单驱动的、基于点击的导航允许原始数据和分析数据的可视化。这里我们提供了MAVEN的用户指南。提供了数据导入、样品峰对齐、生物条件之间差异很大的代谢物鉴定、同位素标记模式的定量和可视化以及代谢物特定峰强度表的导出的分步说明。这些说明共同描述了一个工作流程,该工作流程允许将原始LC-MS数据有效处理为可用于生物分析的形式。
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.