This study demonstrates the use of ChromCompare+ software to identify significant differences across lemon oil batches for quality control and authenticity studies, as well as streamlined workflows to quickly classify samples of unknown origin.
Robust quality control (QC) of essential oils is required to ensure purity or authenticity, prevent adulteration and maintain consistent levels of quality and safety so it is important to have fast analytical workflows for routine QC testing. While GC–MS instrumentation is constantly evolving, allowing us to gain greater insight into our samples’ compositions than ever before, it often results in data processing becoming the ‘bottleneck’ of analytical workflows. ChromCompare+ is a powerful chemometrics platform to transform complex 1D or 2D GC–MS data into meaningful and usable results through automated, easy-to-use workflows.
Here, we will demonstrate the use of ChromCompare+ software to identify significant differences between batches of lemon oils using all of the raw GC–MS data. This innovative approach will be shown to minimise laborious pre-processing steps, reduce the risk of missing important details and enable simple classification of unknown samples.