Chromcompare+

ChromCompare+

Transforming chromatographic data into meaningful results

ChromCompare+ is an easy-to-use data analysis and chemometrics platform, for aligning and comparing chromatographic data in automated workflows. ChromCompare+ means that a batch of GC–MS or GC×GC datafiles (in a wide range of formats) can now be compared in minutes instead of days (or even weeks).

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Reasons to use ChromCompare+

Find the significant differences between your sample classes.
Reduce the risk of missing important details, by using all of the raw data.
Automatically predict the class of unknown samples using classification models.
Easily visualise trends and relationships between your samples using interactive charts.
Remove bottlenecks in data processing associated with GC×GC, through efficient filtering of complex datasets to uncover key trends and differences.
Achieve all this within an intuitive, easy-to-learn workflow – you don’t have to be a statistician to use it.
Use Tandem Ionisation data in a single, streamlined workflow, to minimise false positives and improve discovery of true differences (exclusive to BenchTOF2 mass spectrometers).

Much more than just chemometrics

ChromSpace’s powerful data-mining tools are fully integrated into every ChromCompare+ licence, for fast peak identification, easy-to-use deconvolution, quantitation and more.

Applications

Technical note: Improving discovery workflows using Tandem Ionisation® data

This technical note demonstrates how Tandem Ionisation data can be used to improve discovery workflows by reducing the frequency of false positives and describes how this is achieved using an untargeted, tile-based approach used in ChromCompare+ software to find the significant class-based differences between GC and GC×GC chromatograms.

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Uncovering trace additives in gasoline

This study demonstrates the use of GC×GC coupled with BenchTOF2 and Tandem Ionisation to identify trace additives in gasoline, with time-saving workflows in ChromCompare+ software utilising all of the tandem data in a single workflow to automatically uncover differences between gasoline blends.

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Easy-to-learn workflows for quality control of essential oils

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.

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Evaluation of fruit quality using GC–TOF MS and innovative chemometrics

This study demonstrates the use of ChromCompare+ software to identify significant differences among fruit cultivars using innovative, automated workflows.

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Reverse engineering the aroma of plant-based meat substitutes

This study describes the use of headspace sorptive extraction with GC×GC–TOF MS to compare the volatile profiles of ground meat and plant-based substitutes.

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Monitoring disinfection by-products in water using thin-film SPME coupled with GC×GC and BenchTOF MS

Thin-film solid-phase microextraction (TF-SPME) with comprehensive two-dimensional gas chromatography and BenchTOF™ time-of-flight mass spectrometry (GC×GC–TOF MS) provides efficient non-target screening of organic pollutants in water.

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Untargeted comparison of soft drink brands using immersive sorptive extraction, GC×GC–TOF MS and chemometrics

Immersive sorptive extraction coupled with comprehensive two-dimensional gas chromatography and BenchTOF2™ time-of-flight mass spectrometry (GC×GC—TOF MS) was used to compare flavour profiles from popular brand soft drinks with those of imitation products.

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