Software for analysing ion mobility mass spectrometry data to improve peptide identification.
Software for analysing ion mobility mass spectrometry data to improve peptide identification.
复制标题
用于分析离子淌度质谱数据以改进肽鉴定的软件。
DOI：
10.1002/pmic.201200029
复制
发表时间：
2012
期刊：
影响因子：
3.4
通讯作者：
Xia D
中科院分区：
文献类型：
--
作者：
Xia D
离子迁移率（IM）MS仪器的发展有能力为蛋白质组学中的肽分析管道提供额外的维度，但是，到目前为止，很少有软件工具可用于分析这些数据。IM可用于在碎裂之后提供母离子或产物离子的额外分离。在这项工作中，我们已经创建了一套软件工具，能够将碎片离子分析产生的三维IM数据转换为蛋白质组学中使用的各种格式。我们证明了IM可用于计算碎片离子的电荷状态，证明了通过从数据库搜索中排除无信息离子来改善肽鉴定的潜力。我们还提供了初步的证据，B和Y离子之间的结构差异，某些肽序列，但不是其他人。所有软件工具和数据集都可以在公共领域获得，网址是www.example.com。
The development of ion mobility (IM) MS instruments has the capability to provide an added dimension to peptide analysis pipelines in proteomics, but, as yet, there are few software tools available for analysing such data. IM can be used to provide additional separation of parent ions or product ions following fragmentation. In this work, we have created a set of software tools that are capable of converting three dimensional IM data generated from analysis of fragment ions into a variety of formats used in proteomics. We demonstrate that IM can be used to calculate the charge state of a fragment ion, demonstrating the potential to improve peptide identification by excluding non‐informative ions from a database search. We also provide preliminary evidence of structural differences between b and y ions for certain peptide sequences but not others. All software tools and data sets are made available in the public domain at http://code.google.com/p/ion-mobility-ms-tools/.