一种用于分析来自高分辨率液相色谱-质谱联用仪的同位素编码亲和标签数据的新方案。
A new protocol of analyzing isotope-coded affinity tag data from high-resolution LC-MS spectrometry.
作者信息
Yu Weichuan, Liu Junfeng, Colangelo Chris, Gulcicek Erol, Zhao Hongyu
机构信息
Department of Electronic and Computer Engineering, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, China.
出版信息
Comput Biol Chem. 2007 Jun;31(3):215-21. doi: 10.1016/j.compbiolchem.2007.03.001. Epub 2007 Mar 20.
Abstract
Isotope-coded affinity tags (ICAT) is a labeling technique that provides insights into quantitative molecular changes. In this paper, we propose a new protocol to identify and analyze ICAT labeled peak pairs in high-resolution LC-MS data. Our major contributions are: (1) we use isotope distance constraint, ICAT distance constraint, and LC-span constraint to identify ICAT labeled peak pairs and (2) we propose to trigger tandem MS/MS scanning based on the ratio estimation value of identified ICAT peak pairs instead of the peak intensity values. Compared with current approaches that choose peaks with high intensity values for tandem MS/MS scanning, the new protocol can improve the scanning efficiency and accuracy.
摘要
同位素编码亲和标签（ICAT）是一种能够深入了解分子定量变化的标记技术。在本文中，我们提出了一种新的方案，用于识别和分析高分辨率液相色谱 - 质谱数据中的ICAT标记峰对。我们的主要贡献包括：（1）我们使用同位素距离约束、ICAT距离约束和液相色谱跨度约束来识别ICAT标记峰对；（2）我们建议基于已识别的ICAT峰对的比率估计值而非峰强度值来触发串联质谱/质谱扫描。与当前选择高强度值峰进行串联质谱/质谱扫描的方法相比，新方案可以提高扫描效率和准确性。
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