WWEM 2020

WWEM 2018 - Abstract

Abstract Title: Comparative analysis in waste water screening applications using GC/MS and comprehensive GCxGC/MS
Presenter Name: Dr Marco Ruijken
Company/Organisation: MsMetrix
Country: Netherlands

Abstract Information :

A novel GC/MS and GCxGC/MS software platform was developed for sensitive comparative or differential analysis, especially for Waste Water Analysis and Trouble Shooting.

Many applications in GC/MS and GCxGC/MS relate to finding differences between a newly measured Sample and a Reference Sample; what is different in the sample compared to a "good quality" reference? For waste water analysis the reference samples is in general the blank, a sample that can contain many components in itself, or the reference can be a second sample to be compared. GC-Analyzer performs differential analysis by comparison of all ions between sample and control. Using the "All Ion" approach allows for the detection of very small deviations hidden under large peaks and not seen by a visual examination. Subsequent Deconvolution and Identification is based on "Differential Ions" only, which makes it possible to even detect exactly co-eluting unknown components.

A similar procedure is used for comprehensive GCxGC/MS comparative analysis. Depending on the complexity of the data, it is possible to perform the analysis based on the TIC or using "All Ion Data Processing". It will be demonstrated that an "All Ion" data processing technique for GCxGC data outperforms a TIC approach, as there might still be many unresolved overlapping components.

In situations where no reference sample is available, the software can be used for peak detection, deconvolution and identification.

Technical details of the algorithms will be explained and examples will be given from waste water screening analysis in the Netherlands and Belgium.