Mass Spectrometry Data Center, National Institute of Standards and Technology, 100 Bureau Drive, Gaithersburg, Maryland 20899, United States.
J Proteome Res. 2021 Sep 3;20(9):4603-4609. doi: 10.1021/acs.jproteome.1c00324. Epub 2021 Jul 15.
Annotating product ion peaks in tandem mass spectra is essential for evaluating spectral quality and validating peptide identification. This task is more complex for glycopeptides and is crucial for the confident determination of glycosylation sites in glycoproteins. MS_Piano (ass pectrum eptde ntation) software was developed for reliable annotation of peaks in collision induced dissociation (CID) tandem mass spectra of peptides or N-glycopeptides for given peptide sequences, charge states, and optional modifications. The program annotates each peak in high or low resolution spectra with possible product ion(s) and the mass difference between the measured and theoretical / values. Spectral quality is measured by two major parameters: the ratio between the sum of unannotated vs all peak intensities in the top 20 peaks, and the intensity of the highest unannotated peak. The product ions of peptides, glycans, and glycopeptides in spectra are labeled in different class-type colors to facilitate interpretation. MS_Piano assists validating peptide and N-glycopeptide identification from database and library searches and provides quality control and optimizes search reliability in custom developed peptide mass spectral libraries. The software is freely available in .exe and .dll formats for the Windows operating system.
注释串联质谱中的产物峰对于评估谱质量和验证肽鉴定至关重要。对于糖肽来说，这项任务更为复杂，对于糖蛋白中糖基化位点的可靠确定至关重要。MS_Piano（谱峰解析）软件是为了可靠地注释给定肽序列、电荷状态和可选修饰的肽或 N-糖肽的碰撞诱导解离（CID）串联质谱中的峰而开发的。该程序用可能的产物离子和测量值与理论值之间的质量差来注释高或低分辨率谱中的每个峰。谱质量通过两个主要参数来衡量：前 20 个峰中未注释峰与所有峰强度总和的比值，以及未注释峰的最高强度。谱中的肽、聚糖和糖肽的产物离子用不同的类类型颜色标记，以方便解释。MS_Piano 有助于从数据库和库搜索中验证肽和 N-糖肽鉴定，并提供质量控制并优化自定义肽质谱库中的搜索可靠性。该软件以.exe 和.dll 格式提供，适用于 Windows 操作系统。
