MS/MS spectral tag-based annotation of non-targeted profile of plant secondary metabolites.
MS/MS spectral tag-based annotation of non-targeted profile of plant secondary metabolites.
复制标题
基于 MS/MS 光谱标签的植物次生代谢物非靶向谱注释。
DOI：
10.1111/j.1365-313x.2008.03705.x
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发表时间：
2009-02
期刊：
影响因子：
7.2
通讯作者：
Saito, Kazuki
中科院分区：
文献类型：
--
作者：
Matsuda, Fumio;Yonekura-Sakakibara, Keiko;Niida, Rie;Kuromori, Takashi;Shinozaki, Kazuo;Saito, Kazuki
关键词：
开发了基于MS/MS光谱标签（MS 2 T）库的峰注释程序，用于使用LC-MS进行信息性非靶向代谢分析。拟南芥代谢物的MS 2 T库是从使用质谱仪的自动数据采集功能采集的一组MS/MS光谱创建的。通过使用该文库，我们获得了代谢谱数据中检测到的峰的结构信息，而无需进行额外的MS/MS分析;这是通过在文库中搜索相应的MS 2 T登录来实现的。在含有超过1000个峰的拟南芥组织的代谢谱数据的情况下，大约50%的峰被MS 2 Ts标记，并且通过搜索代谢物数据库并手动解释MS 2 Ts，鉴定出90个峰或用代谢物信息暂时注释。拟南芥组织间代谢谱的比较显示，许多未知的代谢产物以组织特异性的方式积累，其中一些被推断为不寻常的拟南芥代谢产物的基础上的MS 2 T数据。负责这些生物合成的候选基因可以通过将结果投影到转录组数据来预测。该方法也被用于代谢表型的一个子集的Ds转座子插入线的拟南芥，从而澄清的功能报道的基因参与类黄酮的糖基化。因此，使用MS 2 T注释方法的非靶向代谢谱分析可以被证明是有用的，用于研究植物次生代谢产物的新功能。
The MS/MS spectral tag (MS2T) library-based peak annotation procedure was developed for informative non-targeted metabolic profiling analysis using LC-MS. An MS2T library of Arabidopsis metabolites was created from a set of MS/MS spectra acquired using the automatic data acquisition function of the mass spectrometer. By using this library, we obtained structural information for the detected peaks in the metabolic profile data without performing additional MS/MS analysis; this was achieved by searching for the corresponding MS2T accession in the library. In the case of metabolic profile data for Arabidopsis tissues containing more than 1000 peaks, approximately 50% of the peaks were tagged by MS2Ts, and 90 peaks were identified or tentatively annotated with metabolite information by searching the metabolite databases and manually interpreting the MS2Ts. A comparison of metabolic profiles among the Arabidopsis tissues revealed that many unknown metabolites accumulated in a tissue-specific manner, some of which were deduced to be unusual Arabidopsis metabolites based on the MS2T data. Candidate genes responsible for these biosyntheses could be predicted by projecting the results to the transcriptome data. The method was also used for metabolic phenotyping of a subset of Ds transposon-inserted lines of Arabidopsis, resulting in clarification of the functions of reported genes involved in glycosylation of flavonoids. Thus, non-targeted metabolic profiling analysis using MS2T annotation methods could prove to be useful for investigating novel functions of secondary metabolites in plants.