Interuniversity Institute of Biostatistics and statistical Bioinformatics, Hasselt University , 3590 Diepenbeek, Belgium.
Applied Bio and Molecular Systems, VITO , 2400 Mol, Belgium.
Anal Chem. 2015 Nov 3;87(21):10747-54. doi: 10.1021/acs.analchem.5b01165. Epub 2015 Oct 22.
The elemental isotope definition used to calculate the theoretical masses and isotope distribution of (bio)molecules is considered to be a fixed, universal standard in mass-spectrometry-based proteomics. However, this is an incorrect assumption. In view of the ongoing advances in mass spectrometry technology, and in particular the ever-increasing mass precision, the elemental isotope definition and its variations should be taken into account. We illustrate the effect of the elemental isotope uncertainty on the theoretical and experimental masses with theoretical calculations and examples.
在基于质谱的蛋白质组学中，用于计算（生物）分子的理论质量和同位素分布的元素同位素定义被认为是一个固定的、通用的标准。然而，这是一个不正确的假设。鉴于质谱技术的不断进步，特别是质量精度的不断提高，应该考虑元素同位素定义及其变化。我们通过理论计算和实例说明了元素同位素不确定性对理论和实验质量的影响。
