Metabolomics approach for determining growth-specific metabolites based on Fourier transform ion cyclotron resonance mass spectrometry.
Metabolomics approach for determining growth-specific metabolites based on Fourier transform ion cyclotron resonance mass spectrometry.
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DOI：
10.1007/s00216-008-2195-5
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发表时间：
2008-08
影响因子：
4.3
通讯作者：
Kanaya, Shigehiko
中科院分区：
文献类型：
--
作者：
Takahashi, Hiroki;Kai, Kosuke;Shinbo, Yoko;Tanaka, Kenichi;Ohta, Daisaku;Oshima, Taku;Altaf-Ul-Amin, Md.;Kurokawa, Ken;Ogasawara, Naotake;Kanaya, Shigehiko
关键词：
傅里叶变换离子回旋共振质谱（FT-ICR/MS）是获得精确质量测量的最佳质谱技术，由于其高分辨率和准确度，已经报道了几种基于FT-ICR/MS的代谢组学方法。需要一个可靠的注释方案来处理直接输注FT-ICR/MS代谢谱。相关性分析不仅可以揭示离子间的关系，而且可以对来源于同一代谢物的离子（代谢物衍生物离子）进行注释。在本研究中，我们提出了一个程序代谢物注释直接输注FT-ICR/MS考虑到使用相关性分析的代谢物衍生离子的分类。基于同位素关系、MS/MS分析的裂解模式、共存代谢物和数据库搜索（KNApSAcK和KEGG）的信息的综合分析可以将离子注释为代谢物并基于代谢物组成估计细胞状况。共检测到220种离子，分为174个代谢物衍生物组和72个离子被分配到候选代谢物在本工作中。最后，代谢分析已经能够在PCA的帮助下区分生长阶段。构建的模型，使用PLS回归OD 600值作为代谢曲线的函数是非常有用的，用于确定在何种程度上的离子有助于生长阶段。对所构建模型影响较大的10种磷脂在细胞中高度丰富。我们的分析表明，这些磷脂的整体修饰发生在E。大肠杆菌进入稳定期。因此，涉及相关性分析、代谢谱和数据库搜索的综合方法对于高通量代谢组学是有效的。本文的在线版本（doi：10.1007/s 00216 -008-2195-5）包含补充材料，可供授权用户使用。
Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR/MS) is the best MS technology for obtaining exact mass measurements owing to its great resolution and accuracy, and several outstanding FT-ICR/MS-based metabolomics approaches have been reported. A reliable annotation scheme is needed to deal with direct-infusion FT-ICR/MS metabolic profiling. Correlation analyses can help us not only uncover relations between the ions but also annotate the ions originated from identical metabolites (metabolite derivative ions). In the present study, we propose a procedure for metabolite annotation on direct-infusion FT-ICR/MS by taking into consideration the classification of metabolite-derived ions using correlation analyses. Integrated analysis based on information of isotope relations, fragmentation patterns by MS/MS analysis, co-occurring metabolites, and database searches (KNApSAcK and KEGG) can make it possible to annotate ions as metabolites and estimate cellular conditions based on metabolite composition. A total of 220 detected ions were classified into 174 metabolite derivative groups and 72 ions were assigned to candidate metabolites in the present work. Finally, metabolic profiling has been able to distinguish between the growth stages with the aid of PCA. The constructed model using PLS regression for OD600 values as a function of metabolic profiles is very useful for identifying to what degree the ions contribute to the growth stages. Ten phospholipids which largely influence the constructed model are highly abundant in the cells. Our analyses reveal that global modification of those phospholipids occurs as E. coli enters the stationary phase. Thus, the integrated approach involving correlation analyses, metabolic profiling, and database searching is efficient for high-throughput metabolomics. The online version of this article (doi:10.1007/s00216-008-2195-5) contains supplementary material, which is available to authorized users.
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影响因子：
3
作者：
Altaf-Ul-Amin, Md;Shinbo, Yoko;Kanaya, Shigehiko
通讯作者：
Kanaya, Shigehiko
DOI：
10.1089/15362310260256882
发表时间：
2002-01-01
期刊：
OMICS A Journal of Integrative Biology
影响因子：
--
作者：
Aharoni, Asaph;De Vos, C. H. Ric;Goodenowe, Dayan B.
通讯作者：
Goodenowe, Dayan B.
影响因子：
4.3
作者：
Nakamura, Yukiko;Kimura, Atsuko;Ohta, Daisaku
通讯作者：
Ohta, Daisaku
影响因子：
9.5
作者：
Boulesteix, Anne-Laure;Strimmer, Korbinian
通讯作者：
Strimmer, Korbinian
影响因子：
6.2
作者：
GAUTHIER, JW;TRAUTMAN, TR;JACOBSON, DB
通讯作者：
JACOBSON, DB