Non-Targeted Screening of Extractables and Leachables in E-Cigarettes Using UPLC and GC Coupled to QTof-MS

Importance of Topic

Characterization of extractables and leachables in e cigarettes is essential to safeguard consumer health and ensure regulatory compliance. As inhalation products gain market share regulators such as the US FDA the EU TPD2 and the UK MHRA require detailed profiling of potential contaminants originating from device materials and e liquid formulations

Study Objectives and Overview

This study aimed to develop a comprehensive non targeted screening workflow for extractables and leachables in e cigarette components. Individual parts of a closed system cartridge including end caps mouth piece gauze paper wrap and metal shell were extracted and analyzed to detect both known and unknown chemical migrants using a unified LC and GC high resolution mass spectrometry platform

Methodology and Instrumentation

A two stage analytical strategy was implemented

• Sample Preparation: Each component was extracted with isopropanol for 30 minutes against a solvent blank
• Chromatography: UPLC was performed on an ACQUITY UPLC I Class system with a BEH C18 column at 45 °C using a gradient of ammonium acetate in water and methanol. GC analysis used an A7890 system with APGC interface and a DB-5MS column under splitless conditions
• Mass Spectrometry: A single Xevo G2-XS QTof mass spectrometer acquired accurate mass data in alternating low and high collision energy modes across 50–1200 m/z for both LC and GC streams
• Informatics: UNIFI Scientific Information System enabled automated peak detection fragment matching adduct identification and sample comparison workflows

Main Results and Discussion

Non targeted screening identified a range of plasticizers stabilizers antioxidants and surfactants migrating from device components. GC QTof analysis revealed dibutyl phthalate octadecanoic acid di-octyl sebacate and other candidates above response and mass error thresholds. UPLC QTof profiling detected light stabilizer HMBTAD dispersant dyes and polymer additives with high detector response and ppm mass accuracy. Comparative workflows highlighted migration patterns across internal end cap metal shell and gauze indicating potential compound transfer during device assembly

Benefits and Practical Applications

This integrated approach on a single MS platform streamlines extractables and leachables testing by combining LC and GC methodologies with high resolution accurate mass acquisition. Automated library screening and structure elucidation reduce review time and enhance confidence in identifying known and unknown contaminants. The workflow is directly applicable to regulatory submissions for e cigarette devices and can be extended to food cosmetic and pharmaceutical packaging analysis

Future Trends and Opportunities

Advancements in high throughput sample introduction real time data processing and artificial intelligence assisted spectral deconvolution will further accelerate non targeted screening. Integration of ion mobility separation and expanding spectral libraries will improve resolution of isomers and trace level migrants. Broader adoption of data sharing standards will support regulatory harmonization across global markets

Conclusion

The study demonstrates a robust non targeted screening workflow for extractables and leachables in e cigarette components using UPLC and GC coupled to QTof MS. Accurate mass MS E acquisition combined with UNIFI informatics enables rapid identification of a wide range of potential contaminants supporting safety assessment and regulatory compliance

References

1. Food and Drug Administration Deeming Regulation May 2016 New Regulations for E Cigarettes Cigars and All Other Tobacco Products
2. European Parliament and Council Directive 2014 40 EU Tobacco Products Directive TPD2
3. Medicines and Healthcare Products Regulatory Agency 2016 E Cigarettes Regulations for Consumer Products