GCMS
More information
WebinarsAbout usContact usTerms of use
LabRulez s.r.o. All rights reserved. Content available under a CC BY-SA 4.0 Attribution-ShareAlike

Classification of Coffees from Different Origins by Chemical Sensor Technology

Applications | 2002 | GERSTELInstrumentation
GC/MSD, HeadSpace, GC/SQ
Industries
Food & Agriculture
Manufacturer
Agilent Technologies, GERSTEL

Summary

Significance of the Topic


The rapid and reliable classification of coffee varieties by geographical origin is essential for quality control, product consistency and the development of tailored blends in the coffee industry. Traditional steam distillation extraction–GC–MS methods provide robust discrimination but require extended analysis times. The integration of fast headspace sampling with mass spectrometry as a chemical sensor offers a streamlined alternative for industrial and research environments aiming to combine speed with analytical performance.

Objectives and Study Overview


This study evaluated a static headspace–chemical sensor (S-HS-ChemSensor) platform to classify six roasted coffee varieties (three Arabica and three Robusta) from distinct origins. The goal was to test whether this fast, fully automated approach could reproduce or improve upon prior SDE-GC-MS classification results, while greatly reducing sample throughput time.

Used Instrumentation


  • Agilent 6890/5973N GC-MS with high-temperature PONA column (250 °C)
  • Gerstel MultiPurpose Sampler MPS 2 for automated static headspace sampling
  • Pirouette 3.02 software for pattern recognition (HCA, PCA, SIMCA, k-NN)

Methodology


Roasted and ground coffee samples (2 g in 10-mL vials, ten replicates per origin) were incubated at 80 °C for 60 min. A 2.5-mL headspace aliquot was injected into the GC-MS in split mode (1:30). The column operated at 250 °C to avoid separation, delivering the total ion fingerprint (m/z 40–180). After removing common interferences (CO₂, column bleed, high-mass noise), a 60×141 data matrix was generated for multivariate analysis.

Main Results and Discussion


Hierarchical cluster analysis (HCA) of the processed fingerprints grouped the six coffee origins into distinct clusters with high reproducibility. Principal component analysis (PCA) captured over 96% of variance in the first two components and clearly separated Arabica and Robusta along PC1. Loading analysis linked Arabica samples to acid-related ions and Robusta to characteristic furanyl and alkyl fragments. Classification models based on k-nearest neighbors (1-NN) and SIMCA yielded zero misclassifications, demonstrating the method’s accuracy despite excluding lower-volatility phenolic markers.

Benefits and Practical Applications


  • Analysis time reduced from 4 h to 1 h per sample.
  • Fully automated on-line sampling enhances laboratory throughput.
  • Flexible configuration allows switching between GC-MS profiling and ChemSensor mode.
  • Reliable origin authentication supports quality assurance and blend optimization.

Future Trends and Applications


Advances may include integration of alternate rapid extraction techniques (e.g., SPME), miniaturized sensor arrays, and machine-learning algorithms for real-time quality monitoring. Expanding the sensor library to capture phenolic and high-boiling volatiles could further refine discrimination among closely related coffee cultivars.

Conclusion


The S-HS-ChemSensor approach provides a fast, robust alternative to traditional SDE-GC-MS for coffee origin classification. It delivers high accuracy with full automation and minimal sample preparation, making it attractive for industrial quality control and research applications.

References


  • [1] I. Dirinck, I. Van Leuven, P. Dirinck, Czech J. Food Sci. 2000, 18, 50–51.
  • [2] I. Dirinck, I. Van Leuven, P. Dirinck, in: Proceedings of the 11th European Conference on Food Chemistry, RSC, Cambridge 2001, p. 248.
  • [3] I. Dirinck, I. Van Leuven, P. Dirinck, in: Proceedings of the 19th International Conference on Coffee Science (ASIC’01), chemistry section, item 15.

Content was automatically generated from an orignal PDF document using AI and may contain inaccuracies.

Downloadable PDF for viewing
 

Similar PDF

Toggle
Fast Analysis of Food and Beverage Products using a Mass Spectrometry Based Chemical Sensor
AppNote 1/2003 Fast Analysis of Food and Beverage Products using a Mass Spectrometry Based Chemical Sensor Arnd C. Heiden, Bita Kolahgar, Carlos Gil Gerstel GmbH & Co.KG, Eberhard-Gerstel-Platz 1, D-45473 Mülheim an der Ruhr, Germany Vanessa R. Kinton Gerstel, Inc.,…
Key words
robusta, robustachemsensor, chemsensorarabica, arabicagerstel, gersteltung, tungdiscrimination, discriminationjava, javaling, lingcoffees, coffeesdiscriminated, discriminatedanalysed, analysedclassification, classificationdifferent, differentcoffee, coffeesamples
Analysis of Packaging Materials using a Mass Spectral Based Chemical Sensor
AppNote 2/2004 Analysis of Packaging Materials using a Mass Spectral Based Chemical Sensor Vanessa R. Kinton Gerstel, Inc., Caton Research Center, 1510 Caton Center Drive, Suite H, Baltimore, MD 21227, USA Arnd C. Heiden, Carlos Gil Gerstel GmbH & Co.KG,…
Key words
chemsensor, chemsensorpackaging, packagingtpgda, tpgdagerstel, gerstelclassify, classifysensor, sensorsamples, samplesdetect, detectodor, odorincubation, incubationcartons, cartonsclassification, classificationobjective, objectivemilk, milknearest
Wine Discrimination using a Mass Spectral Based Chemical Sensor
AppNote 2/2003 Wine Discrimination using a Mass Spectral Based Chemical Sensor Vanessa R. Kinton, Edward A. Pfannkoch Gerstel, Inc., Caton Research Center, 1510 Caton Center Drive, Suite H, Baltimore, MD 21227, USA M. Abdul Mabud, Sumer M. Dugar Alcohol &…
Key words
wines, winesvarietal, varietalabundance, abundancemerlot, merlotwine, winechemsensor, chemsensorpure, puregerstel, gerstelheadspace, headspaceobtained, obtainedmultivariate, multivariatepca, pcaprincipal, principalcabernet, cabernetfingerprint
Classification of Food and Flavor Samples using a Chemical Sensor
AppNote 7/2002 Classification of Food and Flavor Samples using a Chemical Sensor Arnd C. Heiden, Carlos Gil Gerstel GmbH & Co. KG, Eberhard-Gerstel-Platz 1, D-45473 Mülheim an der Ruhr, Germany Vanessa R. Kinton, Edward A. Pfannkoch Gerstel, Inc., 701 Digital…
Key words
bottle, bottlestrawberry, strawberryheadspace, headspacesimca, simcagerstel, gerstelflavors, flavorssamples, samplescan, canraspberry, raspberrysoft, softflavor, flavordifferences, differencesabundance, abundanceplastic, plasticindicates
Other projects
LCMS
ICPMS
Follow us
More information
WebinarsAbout usContact usTerms of use
LabRulez s.r.o. All rights reserved. Content available under a CC BY-SA 4.0 Attribution-ShareAlike