MRMer, an interactive open source and cross-platform system for data extraction and visualization of multiple reaction monitoring experiments.
MRMer, an interactive open source and cross-platform system for data extraction and visualization of multiple reaction monitoring experiments.
复制标题
DOI：
10.1074/mcp.m700504-mcp200
复制
发表时间：
2008-11
期刊：
影响因子：
--
通讯作者：
McIntosh M
中科院分区：
文献类型：
--
作者：
Martin DB;Holzman T;May D;Peterson A;Eastham A;Eng J;McIntosh M
多反应监测（MRM）质谱法以非常高的灵敏度和速度鉴定和定量复杂混合物中的特定肽，因此有希望高通量筛选临床样品中的候选生物标志物。我们开发了一个交互式软件平台，称为MRMer，用于管理高度复杂的MRM-MS实验，包括使用重/轻同位素肽对的定量分析。MRMer从以平台无关的mzXML数据格式编码的MS文件中解析和提取信息。它提取和推断质子-产物离子跃迁配对，计算积分离子强度，并允许超过1000个质子-产物对的分析进行快速可视化管理。结果可以很容易地输出，用于连续运行的定量比较。此外，MRMer还具有允许定量分析实验的功能，包括重和轻同位素肽对。MRMer是开源的，并在Apache 2.0许可证下提供。
Multiple reaction monitoring (MRM) mass spectrometry identifies and quantifies specific peptides in a complex mixture with very high sensitivity and speed and thus has promise for the high throughput screening of clinical samples for candidate biomarkers. We have developed an interactive software platform, called MRMer, for managing highly complex MRM-MS experiments, including quantitative analyses using heavy/light isotopic peptide pairs. MRMer parses and extracts information from MS files encoded in the platform-independent mzXML data format. It extracts and infers precursor-product ion transition pairings, computes integrated ion intensities, and permits rapid visual curation for analyses exceeding 1000 precursor-product pairs. Results can be easily output for quantitative comparison of consecutive runs. Additionally MRMer incorporates features that permit the quantitative analysis experiments including heavy and light isotopic peptide pairs. MRMer is open source and provided under the Apache 2.0 license.