MAZIE: a mass and charge inference engine to enhance database searching of tandem mass spectra.
MAZIE: a mass and charge inference engine to enhance database searching of tandem mass spectra.
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DOI：
10.1016/j.jasms.2009.09.007
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发表时间：
2010-01
影响因子：
3.2
通讯作者：
Templeton DJ
中科院分区：
文献类型：
--
作者：
Victor KG;Murgai M;Lyons CE;Templeton TA;Moshnikov SA;Templeton DJ
使用串联质谱法鉴定肽序列仍然是复杂蛋白质组学研究的主要挑战。肽匹配算法需要准确测定前体离子的质量和电荷，并通过使用宽的前体质量容差和通过对每个光谱测试几种可能的候选电荷来适应这些性质中的不确定性。使用的数据采集策略，包括获得窄质量范围的MS 1“变焦”扫描，我们在这里描述了一个后采集算法被称为MAZIE，准确地确定电荷和单一同位素质量的前体离子的低分辨率Thermo LTQ-XL质谱仪。这是通过检查在前面的MS 1变焦光谱中获得的同位素分布并与+1至+4的候选电荷状态的理论分布进行比较来实现的。然后MAZIE将修改后的数据文件写入修正后的单一同位素质量和电荷。我们通过将使用MAZIE生成的数据文件获得的序列搜索结果与使用未修改的数据文件获得的结果进行比较来验证MAZIE结果。使用两种不同的搜索算法和错误发现率过滤器，我们发现MAZIE解释的数据导致80%（使用SEQUEST）和30%（使用OMSSA）更高的置信度序列识别。对这些结果的分析表明，准确确定前体离子质量极大地促进了区分真阳性匹配和假阳性匹配的能力，而确定前体离子电荷减少了总体搜索时间，但没有显著减少解释搜索结果的模糊性。MAZIE是作为一个开源Perl脚本分发的。
Peptide sequence identification using tandem mass spectroscopy remains a major challenge for complex proteomic studies. Peptide matching algorithms require the accurate determination of both the mass and charge of the precursor ion and accommodate uncertainties in these properties by using a wide precursor mass tolerance and by testing, for each spectrum, several possible candidate charges. Using a data acquisition strategy that includes obtaining narrow mass-range MS1 “zoom” scans, we describe here a post-acquisition algorithm dubbed MAZIE, that accurately determines the charge and monoisotopic mass of precursor ions on a low-resolution Thermo LTQ-XL mass spectrometer. This is achieved by examining the isotopic distribution obtained in the preceding MS1 zoom spectrum and comparing to theoretical distributions for candidate charge states from +1 to +4. MAZIE then writes modified data files with the corrected monoisotopic mass and charge. We have validated MAZIE results by comparing the sequence search results obtained with the MAZIE-generated data files to results using the unmodified data files. Using two different search algorithms and a false discovery rate filter, we found that MAZIE-interpreted data resulted in 80% (using SEQUEST) and 30% (using OMSSA) more high-confidence sequence identifications. Analyses of these results indicate that the accurate determination of the precursor ion mass greatly facilitates the ability to differentiate between true and false positive matches, while the determination of the precursor ion charge reduces the overall search time but does not significantly reduce the ambiguity of interpreting the search results. MAZIE is distributed as an open-source PERL script.
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影响因子：
4.3
作者：
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DOI：
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发表时间：
1995-04-01
影响因子：
3.2
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通讯作者：
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DOI：
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发表时间：
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影响因子：
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