Detection and quantification of potential fragrance allergens in complex matrices using GC Orbitrap MS technology

Significance of the Topic

Fragrance allergens can trigger skin reactions and are regulated in the EU to ensure consumer safety. Accurate monitoring in complex cosmetic matrices is crucial for compliance and health protection.

Objectives and Study Overview

This study assessed the suitability of Orbitrap-based GC-MS technology for routine detection and quantification of 57 regulated fragrance allergens in model and real perfume samples. Key aims included evaluating sensitivity, selectivity, linearity and robustness in complex matrices.

Methodology

The approach combined high-resolution full-scan GC-Orbitrap MS with robust chromatography. Calibration standards spanned 2–1000 mg/kg, with two internal standards. Perfume matrices were spiked at low (0.4–4 mg/kg) and high (20–190 mg/kg) levels to challenge the method.

Instrumentation Used

• Thermo Scientific Q Exactive GC Orbitrap MS
• Thermo Scientific TRACE 1310 GC with TriPlus RSH autosampler
• TraceGOLD TG-1MS column (30 m × 0.25 mm × 0.25 μm)
• EI ionization at 70 eV, full scan 50–400 m/z at 60 000 FWHM
• Chromeleon CDS software

Main Results and Discussion

• Excellent chromatographic resolution (minimum 0.94 for isomers) over a 37 min run.
• Sub-nanogram sensitivity (0.01 ng on column) for all targets.
• Linear response (R2 > 0.995) across five orders of magnitude (2–1000 mg/kg).
• Peak area repeatability <3.5% RSD (n=16) and mass accuracy <1.5 ppm (n=8).
• Quantification error <20% for 57% of analytes at low level and 95% at high level.
• High selectivity enabled by accurate mass resolving power, resolving co-eluting compounds in complex perfume matrices.

Benefits and Practical Applications

• Full-scan acquisition simplifies method development and maintenance compared to SIM or MS/MS.
• Retrospective analysis enables detection of newly regulated allergens without re-running samples.
• Wide dynamic range reduces the need for multiple dilutions and calibration curves.
• Robust routine performance supports compliance testing in cosmetic QA/QC laboratories.

Future Trends and Potential Applications

• Expansion of target lists to include emerging allergenic compounds.
• Integration with automated data processing and AI-driven identification workflows.
• Application to other complex matrices such as cleaning products or environmental samples.
• Real-time monitoring and portable high-resolution GC-MS platforms for on-site testing.

Conclusion

Orbitrap GC-MS technology offers a reliable, sensitive and selective platform for the routine analysis of fragrance allergens. Its high-resolution full-scan capability, wide dynamic range and robust quantification make it well suited for regulatory compliance and consumer safety.

Reference

1. Regulation (EC) No 1223/2009 of the European Parliament and of the Council on cosmetic products.
2. Annex III to Regulation 1223/2009 listing 26 regulated fragrance allergens.
3. Scientific Committee on Consumer Safety, SCCS/1459/11 Opinion on fragrance allergens in cosmetics.
4. Chaintreau A et al. GC/MS quantitation of fragrance compounds suspected to cause skin reactions. J Agric Food Chem. 2003;51:6398–6403.
5. IFRA Analytical Guideline: Quantification of 57 suspected allergens by GC-MS, November 2016.