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首页> 外文期刊>Journal of mass spectrometry: JMS >GenoMass - a computer software for automated identification of oligonucleotide DNA adducts from LC-MS analysis of DNA digests
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GenoMass - a computer software for automated identification of oligonucleotide DNA adducts from LC-MS analysis of DNA digests

机译：GenoMass-用于从DNA消化物的LC-MS分析中自动鉴定寡核苷酸DNA加合物的计算机软件

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摘要

In the investigation of oligonucleotides, DNA and their adducts by LC-MS, a myriad of data are generated that make manual data processing quite difficult. This paper describes a 'reversed pseudo-combinatorial' approach for fragment identification and the software implementation of this approach. Combinatorial isomer libraries are generated in silico to represent the digestion products of oligonucleotides, DNA or DNA adducts of various sizes. The software automatically calculates ion masses of each isomeric segment of the library, searches for them in complicated LC-MS data, lists their intensities and plots extracted ion chromatograms (EIC). This customized new data analysis tool has enabled a study of the enzymatic behavior of a nuclease system in the digestion of normal and adducted DNA, and in the recognition of oligomers containing a carcinogen bound to a nucleobase. The software program potentially can be further expanded to postulate unknown DNA sequences and recognize the adduction sites.
机译：在通过LC-MS研究寡核苷酸，DNA及其加合物时，会生成大量数据，这使得手动数据处理非常困难。本文介绍了一种用于片段识别的“反向伪组合”方法以及该方法的软件实现。计算机生成组合异构体库，以代表各种大小的寡核苷酸，DNA或DNA加合物的消化产物。该软件会自动计算库中每个异构段的离子质量，在复杂的LC-MS数据中搜索离子质量，列出其强度并绘制提取的离子色谱图（EIC）。这种定制的新数据分析工具已使人们能够研究核酸酶系统在正常和加合的DNA消化中的酶促行为，以及在识别含有与核碱基结合的致癌物的低聚物时的酶促行为。该软件程序可能会进一步扩展以假定未知的DNA序列并识别加合位点。

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