Method to compare collision-induced dissociation spectra of peptides: Potential for library searching and subtractive analysis
Method to compare collision-induced dissociation spectra of peptides: Potential for library searching and subtractive analysis
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DOI：
10.1021/ac980122y
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发表时间：
1998-09-01
影响因子：
7.4
通讯作者：
Eng, JK
中科院分区：
文献类型：
--
作者：
Yates, JR;Morgan, SF;Eng, JK
我们报道了一种比较多肽的碰撞诱导解离(CID)光谱的方法的发展。该方法采用CID谱与参考谱的互相关分析，并将互相关分数归一化为CID谱的自相关。通过使用海量信息和碎片模式来比较查询谱。使用相关函数将碎片模式彼此比较。为了评价该方法的专属性，我们建立了一组2180个串联质谱仪，分别来自三个四极串联质谱仪(TSQ)和四极离子陷阱质谱仪(LCQ)。在同一仪器类型上获得的串联质谱图之间以及不同仪器类型之间进行比较。这两种类型的分析都证明了准确和可靠的比较。在相同多肽的TSQ和LCQ串联质谱图的交叉比对中获得的分数被发现略低于在相同仪器类型上获得的谱图的比较。该方法似乎对仪器日常性能的变化、碎片离子丰度的微小变化以及同一仪器型号固有的仪器差异不敏感。将这种比较方法用于LC/MS/MS实验中获得的串联质谱库的检索和差减分析。
We report the development of a method to compare collision-induced dissociation (CID) spectra of peptides. This method employs a cross-correlation analysis of a CID spectrum to a reference spectrum and normalizes the cross-correlation score to the autocorrelation of the CID spectra. The query spectrum is compared by using both mass information and fragmentation patterns. Fragmentation patterns are compared to each other using a correlation function. To evaluate the specificity of the approach, a set of 2180 tandem mass spectra obtained from both triple-quadrupole tandem mass spectrometers (TSQ) and quadrupole ion trap mass spectrometers (LCQ) was created. Comparisons are performed between tandem mass spectra obtained on the same instrument type as well as between different instrument types. Accurate and reliable comparisons are demonstrated in both types of analyses. The scores obtained in the cross-comparison of TSQ and LCQ tandem mass spectra of the same peptide are found to be slightly lower than comparisons performed with spectra obtained on the same instrument type. The method appears insensitive to variations in day-to-day performance of the instrument, minor variations in fragment ion abundance, and instrumental differences inherent in the same instrument model. The use of this method of comparison is demonstrated for library searching and subtractive analysis of tandem mass spectra obtained during LC/MS/MS experiments.