ZoomQuant: An application for the quantitation of stable isotope labeled peptides
ZoomQuant: An application for the quantitation of stable isotope labeled peptides
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DOI：
10.1016/j.jasms.2004.11.014
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发表时间：
2005-03-01
影响因子：
3.2
通讯作者：
Greene, AS
中科院分区：
文献类型：
--
作者：
Halligan, BD;Slyper, RY;Greene, AS
比较蛋白质组学的主要目标是在一次实验中量化两个不同生物样本之间许多蛋白质丰度的差异。通过对两个样品中的多肽进行不同的标记，并将它们结合在一起进行单一分析，可以准确地确定蛋白质丰度的相对比率。蛋白酶催化的O-18交换是一种简单的差异标记多肽的方法，但缺乏强大的软件工具来分析普通离子陷阱质谱仪产生的O-18标记多肽的质谱学数据。ZoomQuant是一个独立的计算工具，它分析来自离子陷阱仪器的O-18标记多肽的质谱图，并确定两个样本之间的相对丰度比。ZoomQuant从SEQUEST成功识别的候选多肽的过滤列表开始，使用高分辨率细化扫描光谱数据分析这些多肽的同位素形式。理论同位素分布是根据肽序列确定的，并用于解卷绕与未标记的、部分标记的和完全标记的物种相关的峰区域。然后使用几种不同的方法计算标记多肽和未标记多肽之间的比率。ZoomQuant的图形用户界面允许用户查看和调整峰值调用和定量的参数，并选择哪些多肽应对总体丰度比计算做出贡献。最后，ZoomQuant生成两个样本中识别的多肽的相对丰度的汇总报告。(J am Soc MS Spectrm 2005，16,302-306)(C)2004美国质谱学学会。
The main goal of comparative proteomics is the quantitation of the differences in abundance of many proteins between two different biological samples in a single experiment. By differentially labeling the peptides from the two samples and combining them in a single analysis, relative ratios of protein abundance can be accurately determined. Protease catalyzed O-18 exchange is a simple method to differentially label peptides, but the lack of robust software tools to analyze the data from mass spectra of O-18 labeled peptides generated by common ion trap mass spectrometers has been a limitation. ZoomQuant is a stand-alone computational tool that analyzes the mass spectra of O-18 labeled peptides from ion trap instruments and determines relative abundance ratios between two samples. Starting with a filtered list of candidate peptides that have been successfully identified by Sequest, ZoomQuant analyzes the isotopic forms of the peptides using high-resolution zoom scan spectrum data. The theoretical isotope distribution is determined from the peptide sequence and is used to deconvolute the peak areas associated with the unlabeled, partially labeled, and fully labeled species. The ratio between the labeled and unlabeled peptides is then calculated using several different methods. ZoomQuant's graphical user interface allows the user to view and adjust the parameters for peak calling and quantitation and select which peptides should contribute to the overall abundance ratio calculation. Finally, ZoomQuant generates a summary report of the relative abundance of the peptides identified in the two samples. (J Am Soc Mass Spectrom 2005, 16, 302-306) (C) 2004 American Society for Mass Spectrometry.