Automated assignment of ionization states in broad-mass matrix-assisted laser desorption/ionization spectra of protein mixtures.

Automated assignment of ionization states in broad-mass matrix-assisted laser desorption/ionization spectra of protein mixtures.
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蛋白质混合物的宽质量基质辅助激光解吸/电离光谱中电离态的自动分配。

DOI:
10.1002/rcm.4371
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发表时间:
2010
期刊:
Rapid communications in mass spectrometry : RCM
影响因子:
--
通讯作者:
Manos,DennisM
Manos,DennisM
中科院分区:
--
文献类型:
--
作者:
Malyarenko,DariyaI;Cooke,WilliamE;Bunai,ChristineL;Manos,DennisM

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提出了一种用于矩阵辅助激光解吸/电离(MALDI)光谱在飞行时间(TOF)域自动分配多电荷和多时间态(电离态)的计算技术。该技术的应用实例包括在2至70 kDa质量范围内进行改进的自动校准,以及在重建仅带单电荷单体的分子光谱后减少数据冗余。该方法建立在我们之前报道的宽质量信号检测增强的基础上,包括两个步骤:(1)仪器采集初始时间延迟的自动校正,(2)基于MALDI方法,在整个记录范围内对分子[MH]+离子的多种电荷状态和单电荷多计时器进行递归TOF检测。该技术使用校准混合物和汇集的血清质量控制样本以及临床研究数据进行测试。所描述的自动化程序改进了比较蛋白质组学应用的MS数据的分析和降维。版权所有©2009 John Wiley & Sons, Ltd
A computational technique is presented for the automated assignment of the multiple charge and multimer states (ionization states) in the time‐of‐flight (TOF) domain for matrix‐assisted laser desorption/ionization (MALDI) spectra. Examples of the application of this technique include an improved, automatic calibration over the 2 to 70 kDa mass range and a reduced data redundancy after reconstruction of the molecular spectrum of only singly charged monomers. This method builds on our previously reported enhancement of broad‐mass signal detection, and includes two steps: (1) an automated correction of the instrumental acquisition initial time delay, and (2) a recursive TOF detection of multiple charge states and singly charged multimers of molecular [MH]+ions over the entire record range, based on MALDI methods. The technique is tested using calibration mixtures and pooled serum quality control samples acquired along with clinical study data. The described automated procedure improves the analysis and dimension reduction of MS data for comparative proteomics applications. Copyright © 2009 John Wiley & Sons, Ltd.
对线性飞行时间记录进行重采样和反卷积以增强蛋白质分析。
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飞行时间质谱分析
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