Improving mass defect filters for human proteins.

Improving mass defect filters for human proteins.
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DOI:
10.1021/pr100291q
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发表时间:
2010-10-01
影响因子:
4.4
通讯作者:
Desaire, Heather
Desaire, Heather
中科院分区:
生物学2区
文献类型:
--
作者:
Toumi, Melinda L.;Desaire, Heather

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物质的质量缺陷可用于质谱分析,以识别可能属于化合物类别(如肽)的峰,如果质量缺陷在该化合物类别的已知范围内。对于肽,先前使用一组理论肽计算了一系列可能的质量缺陷,其中考虑了所有可能的氨基酸组合(Mann,M.摘要来自第43届质谱和相关主题年会; 1995年,ASMS)。我们比较了理论肽质量缺陷的范围,从计算机胰蛋白酶消化的蛋白质,是丰富的人血清和人精液中获得的新值。发现包含人蛋白质数据集的95%肽的质量缺陷值的范围比先前报道的理论肽的质量缺陷范围小多达50%。为人胰蛋白酶肽建立的较小范围可用于通过排除更多不可能是肽的物质来改善肽质量缺陷过滤器,从而改善蛋白质组学数据分析期间肽的过滤器选择性。
The mass defect of a substance can be used in mass spectral analysis to identify peaks as likely belonging to a compound class, such as peptides, if the mass defect is within the known range for that compound class. For peptides, a range of possible mass defects was calculated previously, using a set of theoretical peptides, where all possible amino acid combinations were considered (Mann, M. Abstract from the 43rd Annual Conference on Mass Spectrometry and Allied Topics; 1995, ASMS). We compare that range of theoretical peptide mass defects to new values obtained from in silico tryptic digests of proteins that are abundant in human serum and human seminal fluid. The range of mass defect values encompassing 95% of peptides for the human protein data sets was found to be up to 50% smaller than the previously reported mass defect range for the theoretical peptides. The smaller range established for human tryptic peptides can be used to improve peptide mass defect filters by excluding more species that are not likely to be peptides, thus improving filter selectivity for peptides during proteomic data analysis.
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