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MASSyPup——一种用于质谱数据分析的“开箱即用”解决方案。

MASSyPup--an 'out of the box' solution for the analysis of mass spectrometry data.

作者信息

Winkler Robert

机构信息

Department of Biotechnology and Biochemistry, CINVESTAV Unidad Irapuato, Irapuato, Mexico.

出版信息

J Mass Spectrom. 2014 Jan;49(1):37-42. doi: 10.1002/jms.3314.

Abstract

Mass spectrometry has evolved to a key technology in the areas of metabolomics and proteomics. Centralized facilities generate vast amount of data, which frequently need to be processed off-site. Therefore, the distribution of data and software, as well as the training of personnel in the analysis of mass spectrometry data, becomes increasingly important. Thus, we created a comprehensive collection of mass spectrometry software which can be run directly from different media such as DVD or USB without local installation. MASSyPup is based on a Linux Live distribution and was complemented with programs for conversion, visualization and analysis of mass spectrometry (MS) data. A special emphasis was put on protein analysis and proteomics, encompassing the measurement of complete proteins, the identification of proteins based on Peptide Mass Fingerprints (PMF) or LC-MS/MS data, and de novo sequencing. Another focus was directed to the study of metabolites and metabolomics, covering the detection, identification and quantification of compounds, as well as subsequent statistical analyses. Additionally, we added software for Mass Spectrometry Imaging (MSI), including hardware support for self-made MSI devices. MASSyPup represents a 'ready to work' system for teaching or MS data analysis, but also represents an ideal platform for the distribution of MS data and the development of related software. The current Live DVD version can be downloaded free of charge from http://www.bioprocess.org/massypup.

摘要

质谱技术已发展成为代谢组学和蛋白质组学领域的一项关键技术。集中式设施会产生大量数据,这些数据常常需要在异地进行处理。因此,数据和软件的分发以及质谱数据分析人员的培训变得愈发重要。于是,我们创建了一个质谱软件综合集,它可以直接从DVD或USB等不同介质运行,无需本地安装。MASSyPup基于Linux Live发行版,并补充了用于质谱(MS)数据转换、可视化和分析的程序。特别强调了蛋白质分析和蛋白质组学,包括完整蛋白质的测量、基于肽质量指纹(PMF)或液相色谱-质谱/质谱(LC-MS/MS)数据的蛋白质鉴定以及从头测序。另一个重点是代谢物和代谢组学研究,涵盖化合物的检测、鉴定和定量以及后续的统计分析。此外,我们添加了用于质谱成像(MSI)的软件,包括对自制MSI设备的硬件支持。MASSyPup代表了一个用于教学或MS数据分析的“即用型”系统,但同时也是MS数据分发和相关软件开发的理想平台。当前的Live DVD版本可从http://www.bioprocess.org/massypup免费下载。

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