Thermo Scientific Orbitrap Exploris GC 240 Mass Spectrometer - eBook

Importance of High-Resolution GC-HRMS

Gas chromatography–high resolution accurate mass spectrometry (GC-HRAM) is transforming analytical testing and scientific research by enabling confident compound identification in complex matrices, untargeted discovery workflows, metabolomics, and food authenticity studies. With resolving power up to 240 000 (FWHM at m/z 200), sub-ppm mass accuracy, full-scan capability, and broad dynamic range, modern Orbitrap-based GC-MS instruments overcome the limitations of traditional quadrupole and TOF systems, delivering unparalleled selectivity, sensitivity, and retrospective data mining.

Objectives and Overview

This collection of studies and application notes evaluates the Thermo Scientific™ Orbitrap Exploris™ GC 240 mass spectrometer for:

• Breakthrough performance metrics: resolving power, sensitivity, dynamic and linear range, scan speed, spectral fidelity, and mass accuracy.
• Untargeted and targeted workflows: unknown compound identification, structural elucidation with EI, PCI, and MS/MS, compound discovery, and quantitation.
• Case studies in metabolomics, food authenticity (spice/herb adulteration), environmental screening, and central laboratory applications.
• Ease of use and modularity: SPME Arrow sampling, Instant Connect injectors, ExtractaBrite EI/CI source, and integrated software solutions.

Methodology and Instrumentation

All experiments employed a Thermo Scientific Orbitrap Exploris GC 240 hybrid quadrupole-Orbitrap system coupled to a Thermo Scientific Trace™ 1300/1310 GC and TriPlus™ RSH autosampler with SPME Arrow technology. Key hardware features included:

• Active Beam Guide and segmented quadrupole for improved ion transmission and precursor selection (0.4–1 200 Da).
• Ion-routing multipole and high-field Orbitrap analyzer (resolution up to 240 000, up to 40 Hz at 7 500 RP).
• ExtractaBrite™ EI/CI source for vent-free exchange and dual-mode soft ionization (methane positive CI).
• Instant Connect modular injectors and detectors for rapid mode switching.
• SPME Arrow DVB/CWR/PDMS fibers for broad volatile extraction.

Chromatography used a 30 m × 0.32 mm × 1 μm TG-1MS column with tailored temperature programs. Data acquisition modes included full-scan EI and PCI, tSIM, and data-dependent MS/MS. Software platforms comprised Chromeleon™ CDS, Xcalibur™, TraceFinder™, Compound Discoverer™ 3.2, FreeStyle™, and Mass Frontier™ for data processing, library searching (NIST 20, Orbitrap GC-MS HRAM Metabolomics Library), deconvolution, chemometrics, and structural elucidation.

Main Results and Discussion

• Resolving Power and Selectivity: RP 240 000 fully resolved pesticide fragment ions (e.g., bifenthrin m/z 167.08113) from matrix interferences, eliminating false negatives common at RP 15 000 or 60 000.
• Sensitivity Across Resolution Modes: Part-per-trillion limits of detection (e.g., pyriproxyfen in QuEChERS soil at 100 ng/mL) were maintained from RP 15 000 through 240 000 without loss of signal.
• Dynamic and Linear Range: Six orders of magnitude linearity (0.1–10 000 pg on-column) and excellent repeatability (%RSD < 5) for analytes such as hexachloroethane.
• Mass Accuracy and Stability: Consistent sub-1 ppm mass error over 140 injections (OFN and HCB standards) and across concentration ranges, even in complex matrices.
• Spectral Fidelity: High-quality isotopic patterns at low levels (1 pg/µL) for compounds like pentachlorobenzonitrile in soil extracts.
• Unknown Identification and Chemometrics: Full-scan EI data with deconvolution and PCA/v-plot analyses successfully discriminated authentic vs adulterated oregano, Origanum vulgare aroma chemotypes by climate origin, and volatile PFAS in environmental matrices.
• Confirmation by Soft Ionization and MS/MS: PCI with methane adducts confirmed elemental compositions; MS/MS with accurate mass fragments supported structural elucidation of unknowns.

Benefits and Practical Applications

• High-resolution GC-HRMS with RP 240 000 ensures robust compound identification in targeted and non-targeted workflows across environmental, food safety, pharmaceutical, and clinical labs.
• Full-scan EI enables retrospective data mining without re-analysis; PCI and MS/MS provide orthogonal confirmation.
• SPME Arrow sampling and vent-free source design minimize sample prep, reduce carryover, and maximize uptime.
• Integrated instrument control and data processing (Chromeleon CDS, Compound Discoverer) streamline method development, compliance, and reporting.

Future Trends and Potential

• Expansion of exposomics and metabolomics workflows for biomarker discovery in human, wildlife, and plant studies.
• Broader use of soft probes (DIP, DEP) and ExtractaBrite EI/CI source for direct analysis of solids, liquids, and thermolabile compounds.
• Integration with multi-omic platforms, AI-driven data interpretation, and digital lab informatics for higher throughput and deeper insights.
• Enhanced food fraud detection and authentication, leveraging chemometric models and high-res libraries for complex matrices.

Conclusion

The Thermo Scientific Orbitrap Exploris GC 240 system delivers unmatched GC-MS performance through ultra-high resolution, accurate mass, sensitivity, and dynamic range in a compact, robust platform. Coupled with SPME Arrow sampling, modular hardware, and comprehensive software, it simplifies complex analyses, accelerates scientific discovery, and elevates data confidence in both targeted and exploratory workflows.

References

• “The Power of High Resolution Accurate Mass Using Orbitrap-Based GC-MS,” Thermo Scientific White Paper 10456, 2015.
• “Fast Screening, Identification, and Quantification of Pesticide Residues in Baby Food Using GC-Orbitrap MS,” Thermo Scientific Application Note 10449, 2019.
• “Metabolomics of Hermaphroditic C. elegans via Isotopic Ratio Outlier Analysis Using LC-MS/MS,” Thermo Scientific Application Note 592, 2020.
• Riccardino, G.; et al. “Untargeted Analysis with GC-Orbitrap for Authentication of Spices and Herbs,” Thermo Scientific Application Note 10723, 2020.
• Riccardino, G.; et al. “Intelligent Omics Workflow Using Orbitrap Exploris GC 240 for Food Characterization,” Thermo Scientific Application Note 65914, 2020.