Eggertson Michael J, Fadgen Keith, Engen John R, Wales Thomas E
Waters Corporation, Milford, MA, USA.
Department of Chemistry and Chemical Biology, Northeastern University, Boston, MA, USA.
Methods Mol Biol. 2020;2051:407-435. doi: 10.1007/978-1-4939-9744-2_18.
A major component of a hydrogen exchange mass spectrometry experiment is the analysis of protein and peptide mass spectra to yield information about deuterium incorporation. The processing of data that are produced includes the identification of each peptic peptide to create a master table/array of peptide identity that typically includes sequence, retention time and retention time range, mass range, and undeuterated mass. The amount of deuterium incorporated into each of the peptides in this array must then be determined. Various software platforms have been developed in order to perform this specific type of data analysis. We describe the fundamental parameters to be considered at each step along the way and how data processing, either by an individual or by software, must approach the analysis.
氢交换质谱实验的一个主要组成部分是分析蛋白质和肽的质谱，以获取有关氘掺入的信息。所产生数据的处理包括识别每个消化肽，以创建一个肽身份主表/阵列，该表/阵列通常包括序列、保留时间和保留时间范围、质量范围以及未氘化质量。然后必须确定该阵列中每个肽掺入的氘量。为了执行这种特定类型的数据分析，已经开发了各种软件平台。我们描述了在这个过程的每一步需要考虑的基本参数，以及无论是个人还是软件进行数据处理时必须如何进行分析。
