通过 GC×GC-MS 进行非靶向化合物分析的半自动化管道

Journal of chromatography open Pub Date : 2024-02-05 DOI:10.1016/j.jcoa.2024.100118

Daniel R. Struk , Rizky Ilhamsyah , Christopher A. Heist , Jean-Marie D. Dimandja , Peter J. Hesketh

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引用次数: 0

摘要

本文介绍了一种用于分析 GC×GC-MS 数据的管道。该流程包括可提高化合物识别率的保留指数匹配，以及几种去除无意义背景化合物和色谱柱渗漏的方法。保留指数匹配的功效通过包含 26、26 和 23 种化合物的样品混合物进行了验证。在实际应用中，即使采用宽松的筛选参数，该管道也能将匹配化合物的数量减少一半。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

A Semi-Automated Pipeline for Nontargeted Compound Analysis via GC×GC-MS

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A Semi-Automated Pipeline for Nontargeted Compound Analysis via GC×GC-MS

A pipeline for the analysis of GC×GC-MS data is presented. The pipeline consists of retention index matching that improves compound identification as well as several methods for removing background compounds of no interest and column bleed. The efficacy of retention index matching is demonstrated via sample mixtures of 26, 26, and 23 compounds. The pipeline in practice is able to reduce the number of matched compounds by half even with lenient screening parameters.

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来源期刊

Journal of chromatography open Analytical Chemistry

CiteScore

2.50

自引率

0.00%

发文量

审稿时长

50 days