|Abstract Title:||Recent advances in chemical fingerprinting of crude oil and petroleum products|
|Session Choice:||Advancement in Petroleomics: Chromatography, Spectroscopy, Thermal amp; Elemental analysis|
|Presenter Name:||Mr Ryan Sutherill|
|Co-authors:||Mr Bob Green|
Dr Laura McGregor
Abstract Information :
Comprehensive two-dimensional gas chromatography GCxGC has been proven to be the ideal platform for the analysis of complex petrochemical samples, however the data processing aspect has earned a reputation as being difficult to use, and extremely time-consuming for many users. GCxGC data exploration, filtering and mining no longer need to be complex, and can be implemented in an environment that is based on classical peak detection algorithms and chromatographic rules. rnrnFor example, powerful scripts are valuable tools, because they offer significant time-saving advantages for highly complex samples investigated using GCMS or GCxGCMS, to identify specific compounds andor chemical classes, such as petroleum biomarkers. rnrnWe will show how GCxGC coupled with time-of-flight mass spectrometry TOF MS offers targeted and untargeted approaches in a single run - with easy-to-use stencils for classification of known target groups, such as in PiPNA analysis, while the availability of full-range TOF MS spectra allows identification of non-target species. rnrnWe also demonstrate Tandem Ionisation TI for simultaneous acquisition of both hard and soft EI spectra, providing improved speciation of isomers that are indistinguishable based on 70 eV data alone. The incorporation of soft ionisation can greatly enhance the use of filtering scripts for precise group-type analysis of important chemical classes, such as steranes and hopanes. rnrnSmart, sophisticated workflows will be shown to allow maximum analytical information to be obtained from various petroleum products using GCxGC-TI-TOF MS.