Calibration and data processing in gas chromatography combustion isotope ratio mass spectrometry.
Calibration and data processing in gas chromatography combustion isotope ratio mass spectrometry.
复制标题
气相色谱燃烧同位素比质谱分析中的校准和数据处理。
DOI：
10.1002/dta.394
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发表时间：
2012
影响因子：
2.9
通讯作者：
Brenna,JThomas
中科院分区：
文献类型：
--
作者：
Zhang,Ying;Tobias,HerbertJ;Sacks,GavinL;Brenna,JThomas
化合物特定同位素分析-燃烧同位素比质谱仪(GCC-IRMS)是一种强大的物质来源分析技术，如确定药物和食品掺假的地理或化学来源，特别是在竞技运动中检测合成类固醇使用情况的确认工具。本文回顾了GCC红外光谱仪数据处理和定标的原理和实践，并结合反兴奋剂分析，重点介绍了碳同位素分析(13C/12C)。在简要回顾了峰的定义之后，对求和法、曲线拟合法和线性回归法等同位素信号还原方法进行了描述和评述。同位素校准原则是在Δ13C = δ13 cm-δ13CE差值测量的背景下考虑的，以确定代谢物(M)相对于内源性(E)参考化合物的不利分析结果。对反兴奋剂分析员的考虑进行了回顾。版权所有©2012 John Wiley&Sons，Ltd.
Compound‐specific isotope analysis (CSIA) by gas chromatography combustion isotope ratio mass spectrometry (GCC‐IRMS) is a powerful technique for the sourcing of substances, such as determination of the geographic or chemical origin of drugs and food adulteration, and it is especially invaluable as a confirmatory tool for detection of the use of synthetic steroids in competitive sport. We review here principles and practices for data processing and calibration of GCC‐IRMS data with consideration to anti‐doping analyses, with a focus on carbon isotopic analysis (13C/12C). After a brief review of peak definition, the isotopologue signal reduction methods of summation, curve‐fitting, and linear regression are described and reviewed. Principles for isotopic calibration are considered in the context of theΔ13C = δ13CM– δ13CEdifference measurements required for establishing adverse analytical findings for metabolites (M) relative to endogenous (E) reference compounds. Considerations for the anti‐doping analyst are reviewed. Copyright © 2012 John Wiley & Sons, Ltd.