HI-bone: a scoring system for identifying phenylisothiocyanate-derivatized peptides based on precursor mass and high intensity fragment ions.
HI-bone: a scoring system for identifying phenylisothiocyanate-derivatized peptides based on precursor mass and high intensity fragment ions.
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DOI：
10.1021/ac303239g
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发表时间：
2013-03
影响因子：
7.4
通讯作者：
Yasset Pérez-Riverol;Aniel Sánchez;Jesus Noda;Diogo Borges;P. Carvalho;Rui Wang;J. Vizcaíno;L. Betancourt;Y. Ramos;G. Duarte;F. C. Nogueira;L. González;G. Padrón;D. Tabb;H. Hermjakob;G. Domont;V. Besada
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文献类型：
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作者：
Yasset Pérez-Riverol;Aniel Sánchez;Jesus Noda;Diogo Borges;P. Carvalho;Rui Wang;J. Vizcaíno;L. Betancourt;Y. Ramos;G. Duarte;F. C. Nogueira;L. González;G. Padrón;D. Tabb;H. Hermjakob;G. Domont;V. Besada
用于通过串联质谱 (MS/MS) 进行肽鉴定的肽序列匹配算法从数据库中枚举理论肽，预测其碎片离子，并将其与实验 MS/MS 谱图进行匹配。在这里，我们提出了一种基于前体离子的高质量准确度匹配、高强度 b1 碎片离子的识别以及苯硫基氨基甲酰基衍生肽的部分序列标签对 MS/MS 识别进行评分的方法。这种衍生化过程增强了 b1 碎片离子信号，使其成为肽鉴定的强大特征。我们通过在名为“HI-bone”的计算工具上实施我们的评分系统，并通过识别使用高能 C-trap 解离在 Orbitrap Velos 仪器上采集的大肠杆菌样本的质谱来证明我们的评分系统的有效性。按照这一策略，我们鉴定了 1614 个肽谱匹配，肽错误发现率 (FDR) 低于 1%。这些结果明显高于使用类似 FDR 的 Mascot 和 SEQUEST 的结果。
Peptide sequence matching algorithms used for peptide identification by tandem mass spectrometry (MS/MS) enumerate theoretical peptides from the database, predict their fragment ions, and match them to the experimental MS/MS spectra. Here, we present an approach for scoring MS/MS identifications based on the high mass accuracy matching of precursor ions, the identification of a high intensity b1 fragment ion, and partial sequence tags from phenylthiocarbamoyl-derivatized peptides. This derivatization process boosts the b1 fragment ion signal, which turns it into a powerful feature for peptide identification. We demonstrate the effectiveness of our scoring system by implementing it on a computational tool called "HI-bone" and by identifying mass spectra of an Escherichia coli sample acquired on an Orbitrap Velos instrument using Higher-energy C-trap dissociation. Following this strategy, we identified 1614 peptide spectrum matches with a peptide false discovery rate (FDR) below 1%. These results were significantly higher than those from Mascot and SEQUEST using a similar FDR.