Thermo Scientific Exactive GC Orbitrap GC-MS system

Význam tématu

Gas chromatography–mass spectrometry (GC-MS) is central to trace analysis in food safety, environmental monitoring, forensics, and anti-doping. High-resolution, accurate-mass (HRAM) analysis extends routine capability by enabling confident identification and quantitation of compounds at ultra-trace levels.

Cíle a přehled studie / článku

This application note introduces the Thermo Scientific Exactive GC Orbitrap GC-MS system, designed to bring award-winning HRAM Orbitrap technology into routine laboratories. By combining full-scan HRAM with the quantitative performance of triple quadrupole MS, the system aims to revolutionize workflows for targeted screening, non-targeted analysis, and retrospective data mining.

Použitá metodika a instrumentace

• Acquisition modes at 15k, 30k, and 60k resolution (FWHM at m/z 200) with sub-1 ppm mass accuracy and part-per-trillion sensitivity.
• Spectral deconvolution algorithms for clean component spectra and high-fidelity library searches against NIST and custom libraries.
• High-resolution filtering (HRF) for elemental composition discrimination and confident identifications.
• Variable electron voltage (VeV) ionization for enhanced molecular ion signals and softer fragmentation.
• Hardware components: bent flatapole, curved C-trap, and Orbitrap mass analyzer, coupled to an ExtractaBrite ion source (EI/CI).
• TRACE 1310 gas chromatograph with Instant Connect injector modules (SSL, PTV, Helium Saver) and detectors (FID, TCD, ECD, NPD, FPD).
• TriPlus RSH autosampler for liquid, headspace, and SPME with automated sample prep and syringe exchange.
• Data processing with Thermo Scientific TraceFinder software for automated detection, identification, quantitation, and retrospective analysis.

Hlavní výsledky a diskuse

• Resolution impact: increasing from 15k to 60k resolves matrix interferences and achieves mass errors below 1 ppm for pesticides in complex matrices.
• Quantitative performance: linear dynamic range over six orders of magnitude (0.1–10 000 pg on column) with RSD < 6% across 100 injections over 66 hours.
• Limit of detection: routine full-scan operation matches or exceeds GC-MS/MS SRM methods for 150 pesticides, with >50% of compounds showing IDLs < 0.5 µg/kg.
• Non-targeted screening: automated workflows identify hundreds of compounds in complex samples (e.g., brandy), reducing interpretation time from weeks to minutes.
• Autosampler repeatability: precise injections from 5–50 µL sample volumes with RSD ~2% for peak areas.
• Retention time stability: IEC-controlled flow yields < 0.001 minute variation over ten consecutive runs.

Přínosy a praktické využití metody

• Simplified method setup for broad-scope targeted and non-targeted screening without multiple SRM transitions.
• Retrospective data mining for compounds not initially targeted.
• Regulatory compliance through sub-ppm mass accuracy and full-scan sensitivity.
• Enhanced lab productivity with minimal maintenance, fast warm-up (< 4 minutes), and modular GC/GC-MS components.
• Automated sample preparation and reporting via TraceFinder and TriPlus RSH integration.

Budoucí trendy a možnosti využití

• Expansion of HRAM GC-MS libraries and workflows for environmental and metabolomics applications.
• Further automation in data analysis using machine-learning algorithms for non-targeted profiling.
• Integration with cloud-based platforms for real-time monitoring and remote diagnostics.
• Development of novel ionization techniques and lower-energy ionization methods to extend detectable compound classes.

Závěr

The Exactive GC Orbitrap GC-MS system redefines routine analytical workflows by delivering unmatched resolution, mass accuracy, sensitivity, and dynamic range. Its combination of modular hardware, automated software, and versatile ionization technologies enables confident targeted quantitation and comprehensive non-targeted screening in diverse application areas.