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Benefit of the Use of GCxGC/MS Profiles for 1D GC/MS Data Treatment Illustrated by the Analysis of Pyrolysis Products from East Asian Handmade Papers
Journal of the American Society for Mass Spectrometry ( IF 3.2 ) Pub Date : 2018-06-07 , DOI: 10.1007/s13361-018-1953-7
Bin Han 1 , Silvia Lob 1 , Michel Sablier 1
Affiliation  

In this study, we report the use of pyrolysis-GCxGC/MS profiles for an optimized treatment of data issued from pyrolysis-GC/MS combined with the automatic deconvolution software Automated Mass Spectral Deconvolution and Identification System (AMDIS). The method was illustrated by the characterization of marker compounds of East Asian handmade papers through the examination of pyrolysis-GCxGC/MS data to get information which was used for manually identifying low concentrated and co-eluting compounds in 1D GC/MS data. The results showed that the merits of a higher separation power for co-eluting compounds and a better sensitivity for low concentration compounds offered by a GCxGC system can be used effectively for AMDIS 1D GC/MS data treatment: (i) the compound distribution in pyrolysis-GCxGC/MS profiles can be used as “peak finder” for manual check of low concentration and co-eluting compound identification in 1D GC/MS data, and (ii) pyrolysis-GCxGC/MS profiles can provide better quality mass spectra with observed higher match factors in the AMDIS automatic match process. The combination of 2D profile with AMDIS was shown to contribute efficiently to a better characterization of compound profiles in the chromatograms obtained by 1D analysis in focusing on the mass spectral identification.

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中文翻译:

使用GCxGC / MS配置文件进行一维GC / MS数据处理的好处通过分析东亚手工纸的热解产物得到了说明

在这项研究中,我们报告了热解-GCxGC / MS配置文件用于结合热解卷积软件自动质谱解卷积和识别系统(AMDIS)对热解-GC / MS发出的数据进行优化处理的情况。通过对热解-GCxGC / MS数据的检查来表征东亚手工纸的标记化合物,从而获得信息,该信息可用于手动识别一维GC / MS数据中的低浓度和共洗脱化合物,从而说明了该方法。结果表明,GCxGC系统提供的共洗脱化合物具有更高分离能力和对低浓度化合物具有更高灵敏度的优点可有效地用于AMDIS 1D GC / MS数据处理:(i)热解-GCxGC / MS配置文件中的化合物分布可用作“峰值查找器”,用于手动检查一维GC / MS数据中的低浓度和共洗脱化合物鉴定,以及(ii)热解-GCxGC / MS配置文件可以在AMDIS自动匹配过程中提供更高质量的质谱图,并观察到更高的匹配因子。二维色谱图与AMDIS的结合显示出在通过质谱分析一维分析获得的色谱图中,可以有效地更好地表征化合物色谱图。

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更新日期:2018-06-07
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