MRMPROBS suite for metabolomics using large-scale MRM assays
MRMPROBS suite for metabolomics using large-scale MRM assays
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DOI：
10.1093/bioinformatics/btu203
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发表时间：
2014-08-15
期刊：
影响因子：
5.8
通讯作者：
Arita, Masanori
中科院分区：
文献类型：
--
作者：
Tsugawa, Hiroshi;Kanazawa, Mitsuhiro;Arita, Masanori
我们开发了新的软件环境，用于大规模多反应监测（MRM）分析的代谢组分析。它支持四大质谱仪供应商的数据格式和mzML通用数据格式。该程序提供了从原始格式导入到高维统计分析的流程管道。新颖的方面是基于图形用户界面的可视化，以执行峰量化，插值缺失值和基于质量控制样本的交互归一化峰。与软件平台一起，还提供了301种代谢物的MRM标准库，具有775个跃迁，有助于通过保留时间和离子丰度进行可靠的峰鉴定。
We developed new software environment for the metabolome analysis of large-scale multiple reaction monitoring (MRM) assays. It supports the data format of four major mass spectrometer vendors and mzML common data format. This program provides a process pipeline from the raw-format import to high-dimensional statistical analyses. The novel aspect is graphical user interface-based visualization to perform peak quantification, to interpolate missing values and to normalize peaks interactively based on quality control samples. Together with the software platform, the MRM standard library of 301 metabolites with 775 transitions is also available, which contributes to the reliable peak identification by using retention time and ion abundances.