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首页> 外文期刊>Journal of mass spectrometry: JMS >Mass spectrometry based lipid(ome) analyzer and molecular platform: A new software to interpret and analyze electrospray and/or matrix-assisted laser desorption/ionization mass spectrometric data of lipids: A case study from Mycobacterium tuberculosis
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Mass spectrometry based lipid(ome) analyzer and molecular platform: A new software to interpret and analyze electrospray and/or matrix-assisted laser desorption/ionization mass spectrometric data of lipids: A case study from Mycobacterium tuberculosis

机译：基于质谱的脂质（ome）分析仪和分子平台：一种用于解释和分析脂质的电喷雾和/或基质辅助激光解吸/电离质谱数据的新软件：以结核分枝杆菌为例

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Mass Spectrometry based Lipid(ome) Analyzer and Molecular Platform (MS-LAMP) is a new software capable of aiding in interpreting electrospray ionization (ESI) and/or matrix-assisted laser desorption/ionization (MALDI) mass spectrometric data of lipids. The graphical user interface (GUI) of this standalone programme is built using Perl:Tk. Two databases have been developed and constituted within MS-LAMP, on the basis of Mycobacterium tuberculosis (M. tb) lipid database (www.mrl.colostate.edu) and that of Lipid Metabolites and Pathways Strategy Consortium (LIPID MAPS; www.lipidmaps.org). Different types of queries entered through GUI would interrogate with a chosen database. The queries can be molecular mass(es) or mass-to-charge (m/z) value(s) and molecular formula. LIPID MAPS identifier also can be used to search but not for M. tb lipids. Multiple choices have been provided to select diverse ion types and lipids. Satisfying to input parameters, a glimpse of various lipid categories and their population distribution can be viewed in the output. Additionally, molecular structures of lipids in the output can be seen using ChemSketch (www.acdlabs.com), which has been linked to the programme. Furthermore, a version of MS-LAMP for use in Linux operating system is separately available, wherein PyMOL can be used to view molecular structures that result as output from General Lipidome MS-LAMP. The utility of this software is demonstrated using ESI mass spectrometric data of lipid extracts of M. tb grown under two different pH (5.5 and 7.0) conditions.
机译：基于质谱的脂质（ome）分析仪和分子平台（MS-LAMP）是一款新软件，能够帮助解释脂质的电喷雾电离（ESI）和/或基质辅助激光解吸/电离（MALDI）质谱数据。该独立程序的图形用户界面（GUI）使用Perl：Tk构建。基于结核分枝杆菌（M. tb）脂质数据库（www.mrl.colostate.edu）和脂质代谢物和途径策略协会（LIPID MAPS; www.lipidmaps），已在MS-LAMP中建立了两个数据库.org）。通过GUI输入的不同类型的查询将询问选定的数据库。查询可以是一个或多个分子质量或一个质荷比（m / z）值和分子式。 LIPID MAPS标识符也可用于搜索，但不能搜索结核分枝杆菌脂质。提供了多种选择来选择不同的离子类型和脂质。满足输入参数，可以在输出中看到各种脂质类别及其种群分布的概况。此外，可以使用已与该程序链接的ChemSketch（www.acdlabs.com）查看输出中脂质的分子结构。此外，可以单独获得在Linux操作系统中使用的MS-LAMP版本，其中PyMOL可以用于查看分子结构，这些分子结构是通用Lipidome MS-LAMP输出的结果。使用ESI质谱数据证明了在两种不同pH（5.5和7.0）条件下生长的M. tb脂质提取物的效用。

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