Division of Pulmonary Medicine, Department of Medicine, Emory University , Atlanta, GA , USA.
Department of Pathology, University of Washington , Seattle, WA , USA.
Front Bioeng Biotechnol. 2015 Jun 11;3:87. doi: 10.3389/fbioe.2015.00087. eCollection 2015.
Liquid-chromatography high-resolution mass spectrometry provides capability to measure >40,000 ions derived from metabolites in biologic samples. This presents challenges to confirm identities of known chemicals and delineate potential metabolic pathway associations of unidentified chemicals. We provide an R package for metabolic network analysis, MetabNet, to perform targeted metabolome-wide association study of specific metabolites to facilitate detection of their related metabolic pathways and network structures.
液相色谱-高分辨率质谱法能够测量生物样本中来自代谢物的 >40000 个离子,这为鉴定已知化学物质的身份和描绘未知化学物质的潜在代谢途径关联带来了挑战。我们提供了一个用于代谢网络分析的 R 包 MetabNet,用于对特定代谢物进行靶向代谢组学全关联研究,以促进检测它们相关的代谢途径和网络结构。