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首页> 美国卫生研究院文献>Scientific Reports >Correcting for natural isotope abundance and tracer impurity in MS- MS/MS- and high-resolution-multiple-tracer-data from stable isotope labeling experiments with IsoCorrectoR
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Correcting for natural isotope abundance and tracer impurity in MS- MS/MS- and high-resolution-multiple-tracer-data from stable isotope labeling experiments with IsoCorrectoR

机译：使用IsoCorrectoR稳定同位素标记实验校正MSMS / MS和高分辨率多示踪数据中的自然同位素丰度和示踪杂质

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Experiments with stable isotope tracers such as 13C and 15N are increasingly used to gain insights into metabolism. However, mass spectrometric measurements of stable isotope labeling experiments should be corrected for the presence of naturally occurring stable isotopes and for impurities of the tracer substrate. Here, we analyzed the effect that such correction has on the data: omitting correction or performing invalid correction can result in largely distorted data, potentially leading to misinterpretation. IsoCorrectoR is the first R-based tool to offer said correction capabilities. It is easy-to-use and comprises all correction features that comparable tools can offer in a single solution: correction of MS and MS/MS data for natural stable isotope abundance and tracer impurity, applicability to any tracer isotope and correction of multiple-tracer data from high-resolution measurements. IsoCorrectoR’s correction performance agreed well with manual calculations and other available tools including Python-based IsoCor and Perl-based ICT. IsoCorrectoR can be downloaded as an R-package from: .
机译：稳定同位素示踪剂（如 13 C和 15 N）的实验越来越多地用于了解代谢。但是，应针对存在自然存在的稳定同位素以及示踪物基质中的杂质，对稳定同位素标记实验的质谱测量进行校正。在这里，我们分析了这种校正对数据的影响：忽略校正或执行无效校正会导致数据严重失真，并可能导致误解。 IsoCorrectoR是第一个提供上述校正功能的基于R的工具。它易于使用，并包含可比较的工具在单个解决方案中提供的所有校正功能：校正MS和MS / MS数据以获取天然稳定的同位素丰度和示踪剂杂质，适用于任何示踪剂同位素以及校正多示踪剂来自高分辨率测量的数据。 IsoCorrectoR的校正性能与手动计算和其他可用工具（包括基于Python的IsoCor和基于Perl的ICT）非常吻合。可以从以下网址下载IsoCorrectoR作为R包：

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