Shorthand notation for lipid structures derived from mass spectrometry
Shorthand notation for lipid structures derived from mass spectrometry
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DOI：
10.1194/jlr.m033506
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发表时间：
2013-06-01
影响因子：
6.5
通讯作者：
Wakelam, Michael J. O.
中科院分区：
文献类型：
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作者：
Liebisch, Gerhard;Vizcaino, Juan Antonio;Wakelam, Michael J. O.
需要对来自质谱方法的脂质物质的结构进行标准化的、实用的注释;即，用于从以高分辨率或低分辨率模式运行的仪器获得的高通量数据。该提案基于通用的、官方认可的术语，并以LIPID MAPS术语为基础。其目的是在LIPID MAPS命名法下添加定义水平的信息，因为质谱分析通常不会自动提供详细的化学结构，包括立体化学。为此，开发了脂质物质注释规则，以反映来自分析的结构信息。例如，常用的头基特异性分析的甘油磷脂（GP）的低分辨率仪器既不能区分脂肪酸连接到甘油主链，也不能定义其键类型（酯，烷基，或alk-1-enyl-ether）。这一点和其他缺失的结构性信息由这里提出的建议的速记符号所涵盖。除GP外，我们还提供脂肪酸/酰基（FA）、甘油脂（GL）、鞘脂（SP）和甾醇（ST）的速记符号。总之，这种定义的速记命名法提供了一种标准方法，用于报告质谱分析的脂质种类和构建数据库
There is a need for a standardized, practical annotation for structures of lipid species derived from mass spectrometric approaches; i.e., for high-throughput data obtained from instruments operating in either high- or low-resolution modes. This proposal is based on common, officially accepted terms and builds upon the LIPID MAPS terminology. It aims to add defined levels of information below the LIPID MAPS nomenclature, as detailed chemical structures, including stereochemistry, are usually not automatically provided by mass spectrometric analysis. To this end, rules for lipid species annotation were developed that reflect the structural information derived from the analysis. For example, commonly used head group-specific analysis of glycerophospholipids (GP) by low-resolution instruments is neither capable of differentiating the fatty acids linked to the glycerol backbone nor able to define their bond type (ester, alkyl-, or alk-1-enyl-ether). This and other missing structural information is covered by the proposed shorthand notation presented here. Beyond GPs, we provide shorthand notation for fatty acids/acyls (FA), glycerolipids (GL), sphingolipids (SP), and sterols (ST). In summary, this defined shorthand nomenclature provides a standard methodology for reporting lipid species from mass spectrometric analysis and for constructing databases