Automated deconvolution and deisotoping of electrospray mass spectra
Automated deconvolution and deisotoping of electrospray mass spectra
复制标题
DOI：
10.1002/jms.278
复制
发表时间：
2002-02-01
影响因子：
2.3
通讯作者：
Hoffmann, R
中科院分区：
文献类型：
--
作者：
Wehofsky, M;Hoffmann, R
肽和蛋白质的电喷雾电离 (ESI) 会产生一系列质荷 (m/z) 比在 500 到 2000 之间的多电荷离子。生成的质谱图挤满了每个分子质量的多个电荷值和每个标称 m/z 值的同位素簇。在这里，我们报告了一种新算法，可以根据质量依赖的同位素平均模式同时对复杂肽样品的 ESI 质谱进行解卷积和去同位素。样品中与一种肽相对应的所有信号都被还原为一个单电荷单同位素峰，从而显着减少信号数量，增加信号强度并提高信噪比。生成的海量列表可直接用于数据库检索。开发的算法还简化了多电荷母离子碎片离子光谱的解释。版权所有 (C) 2002 John Wiley Sons, Ltd.
Electrospray ionization (ESI) of peptides and proteins produces a series of multiply charged ions with a mass/charge (m/z) ratio between 500 and 2000. The resulting mass spectra are crowded by these multiple charge values for each molecular mass and an isotopic cluster for each nominal m/z value. Here, we report a new algorithm simultaneously to deconvolute and deisotope ESI mass spectra from complex peptide samples based on their mass-dependent isotopic mean pattern. All signals corresponding to one peptide in the sample were reduced to one singly charged monoisotopic peak, thereby significantly reducing the number of signals, increasing the signal intensity and improving the signal-to-noise ratio. The mass list produced could be used directly for database searching. The developed algorithm also simplified interpretation of fragment ion spectra of multiply charged parent ions. Copyright (C) 2002 John Wiley Sons, Ltd.