DIA-Umpire: comprehensive computational framework for data-independent acquisition proteomics.

DIA-Umpire: comprehensive computational framework for data-independent acquisition proteomics.
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DOI:
10.1038/nmeth.3255
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发表时间:
2015-03
期刊:
影响因子:
48
通讯作者:
Nesvizhskii, Alexey I.
Nesvizhskii, Alexey I.
中科院分区:
生物学1区
文献类型:
--
作者:
Tsou, Chih-Chiang;Avtonomov, Dmitry;Larsen, Brett;Tucholska, Monika;Choi, Hyungwon;Gingras, Anne-Claude;Nesvizhskii, Alexey I.

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由于最近对质谱学(MS)的改进,人们对数据独立获取(DIA)策略越来越感兴趣,在DIA策略中,所有的肽都使用宽的质量分离窗口系统地碎裂(“多重碎裂”)。Dia-umpire(http://diaumpire.sourceforge.net/),)是一个全面的计算工作流程和用于DIA数据的开源软件,它检测前体和碎片色谱特征,并将它们组装成假的MS/MS谱。这些光谱可以使用传统的数据库搜索和蛋白质推断工具进行识别,从而允许对DIA数据进行敏感的非目标分析,而不需要光谱库。使用前驱体离子强度和碎片离子强度来获得量化。此外,DIA-UMERY能够根据最初仅在样品子集中确定的多肽来有针对性地提取定量信息,从而在多个样品中实现更一致的定量。我们使用不同复杂性的对照样本以及公开可用的糖蛋白组学和亲和纯化-质谱学数据来演示该方法的性能。
Due to recent improvements in mass spectrometry (MS), there is an increased interest in data independent acquisition (DIA) strategies in which all peptides are systematically fragmented using wide mass isolation windows (“multiplex fragmentation”). DIA-Umpire (http://diaumpire.sourceforge.net/), a comprehensive computational workflow and open-source software for DIA data, detects precursor and fragment chromatographic features and assembles them into pseudo MS/MS spectra. These spectra can be identified using conventional database searching and protein inference tools, allowing sensitive untargeted analysis of DIA data without the need for a spectral library. Quantification is obtained using both precursor and fragment ion intensities. Furthermore, DIA-Umpire enables targeted extraction of quantitative information based on peptides initially identified in only a subset of the samples, resulting in more consistent quantification across multiple samples. We demonstrate the performance of the method using control samples of varying complexity, and publicly available glycoproteomics and affinity purification - mass spectrometry data.
通过选择反应监测质谱法估计未标记样品的绝对蛋白质含量。
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