Duran Anthony L, Yang Jian, Wang Liangjiang, Sumner Lloyd W
The Samuel Roberts Noble Foundation, Inc., Ardmore, OK 73402, USA.
Bioinformatics. 2003 Nov 22;19(17):2283-93. doi: 10.1093/bioinformatics/btg315.
The amplified interest in metabolic profiling has generated the need for additional tools to assist in the rapid analysis of complex data sets.
A new program; metabolomics spectral formatting, alignment and conversion tools, (MSFACTs) is described here for the automated import, reformatting, alignment, and export of large chromatographic data sets to allow more rapid visualization and interrogation of metabolomic data. MSFACTs incorporates two tools: one for the alignment of integrated chromatographic peak lists and another for extracting information from raw chromatographic ASCII formatted data files. MSFACTs is illustrated in the processing of GC/MS metabolomic data from different tissues of the model legume plant, Medicago truncatula. The results document that various tissues such as roots, stems, and leaves from the same plant can be easily differentiated based on metabolite profiles. Further, similar types of tissues within the same plant, such as the first to eleventh internodes of stems, could also be differentiated based on metabolite profiles.
Freely available upon request for academic and non-commercial use. Commercial use is available through licensing agreement http://www.noble.org/PlantBio/MS/MSFACTs/MSFACTs.html.
对代谢物谱分析兴趣的激增促使人们需要更多工具来辅助快速分析复杂数据集。
本文介绍了一个新程序——代谢组学光谱格式化、比对和转换工具（MSFACTs），用于自动导入、重新格式化、比对和导出大型色谱数据集，以便更快速地可视化和查询代谢组学数据。MSFACTs包含两个工具：一个用于比对整合的色谱峰列表，另一个用于从原始色谱ASCII格式数据文件中提取信息。通过处理模式豆科植物蒺藜苜蓿不同组织的GC/MS代谢组学数据对MSFACTs进行了说明。结果表明，同一植物的不同组织，如根、茎和叶，可以根据代谢物谱轻松区分。此外，同一植物内相似类型的组织，如茎的第一到第十一个节间，也可以根据代谢物谱进行区分。
可应学术和非商业用途请求免费获取。商业用途可通过许可协议http://www.noble.org/PlantBio/MS/MSFACTs/MSFACTs.html获得。
