A general approach to calculating isotopic distributions for mass spectrometry

Yergey James A.

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A general approach to calculating isotopic distributions for mass spectrometry

机译：计算质谱法分布的一般方法

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摘要

Fundamental principles for obtaining mass spectral isotopic distributions are applied to a general computer program that can be used to calculate and present in tabular and graphic form the isotopic contributions for any molecular formula. A unique feature is the retention of the isotopic distribution, exact mass, and absolute abundance for all individual peaks at each mass. Special considerations have been made for the large number of isotopic combinations that occur for many higher mass compounds. The computer program accepts the input of a molecular formula followed by interactive input of a number of parameters that affect the final presentation of the theoretical distribution profile.

机译：用于获得质谱同位素分布的基本原理应用于一种通用计算机程序，该计算机程序可用于计算和存在表格和图形，形成任何分子式的同位素贡献。一个独特的特征是保留同位素分布，精确质量和每个质量各自峰的绝对丰度。已经为许多更高质量化合物发生的大量同位素组合进行了特殊考虑因素。计算机程序接受分子式的输入，然后是影响大量影响理论分布曲线的最终呈现的参数的交互式输入。

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《Journal of mass spectrometry: JMS》 |2020年第8期|共8页
作者
Yergey James A.;
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作者单位

Johns Hopkins Univ Johns Hopkins Sch Med Middle Atlantic Mass Spectrometry Facil 725 North Wolfe St Baltimore MD 21205 USA;

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原文格式 PDF
正文语种 eng
中图分类分析化学;
关键词
calculation; isotope; Yergey; tribute special issue isotope calculation Yergey;

机译：计算;同位素;yergey;致敬特别问题同位素计算利亚加;

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专利

1. A general approach to calculating isotopic distributions for mass spectrometry [J] . Yergey James A. Journal of mass spectrometry: JMS . 2020,第8期

机译：计算质谱法分布的一般方法
2. Using theoretical protein isotopic distributions to parse small-mass-difference post-translational modifications via mass spectrometry [J] . Rhoads T.W., Williams J.R., Lopez N.I., Journal of the American Society for Mass Spectrometry . 2013,第1期

机译：使用理论蛋白质同位素分布通过质谱分析小质量差异翻译后修饰
3. Effect of post-excitation radius on ion abundance, mass measurement accuracy, and isotopic distributions in Fourier transform ion cyclotron resonance mass spectrometry [J] . Hawkridge AM, Nepomuceno AI, Lovik SL, Rapid Communications in Mass Spectrometry: RCM . 2005,第7期

机译：激发后半径对傅里叶变换离子回旋共振质谱中离子丰度，质量测量精度和同位素分布的影响
4. Use of High Resolution Mass Spectrometry (HRMS) to Solve Severe Issues Due to Isotopic Distribution in Regulated Bioanalysis [C] . Richard Lavallee, Nicolaos Soilis, Jean-Nicholas Mess, American Society for Mass Spectrometry Conference on Mass Spectrometry and Allied Topics . 2013

机译：使用高分辨率质谱（HRMS）来解决由于调节生物分析中同位素分布引起的严重问题
5. Nitrogen and oxygen isotope-ratio analysis of nitrate by the denitrifier method using continuous flow isotope-ratio mass spectrometry. [D] . Crawley, Lindsey R. 2010

机译：使用连续流同位素比质谱法，通过反硝化方法分析硝酸盐的氮，氧同位素比。
6. Using theoretical protein isotopic distributions to parse small-mass-difference post-translational interactions via mass spectrometry [O] . Timothy W. Rhoads, Jared R. Williams, Nathan I. Lopez, -1

机译：采用理论蛋白质同位素分布解析通过质谱小质量差的翻译后的相互作用
7. Understanding Isotopic Distributions in Mass Spectrometry [O] . Juris Meija 2006

机译：了解质谱中的同位素分布
8. Gas chromatograph/mass spectrometry method for determining isotopic distributions in organic compounds used in the chemical approach to stable isotope separation. [R] . Martinez, A. M., Spall, W. D., Smith, B. F. 1990

机译：用于确定用于稳定同位素分离的化学方法中的有机化合物中的同位素分布的气相色谱/质谱法。

A general approach to calculating isotopic distributions for mass spectrometry

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