Direct MS Screening

Importance of the Topic

SICRIT® direct mass spectrometry screening addresses a growing need for rapid, sensitive and versatile analysis of a wide range of compounds in complex matrices. By eliminating extensive sample preparation and offering soft ionization, this approach accelerates contaminant detection in security, environmental monitoring, food safety and industrial quality control.

Objectives and Overview of the Study

This application note presents the development and evaluation of the SICRIT® (Soft Ionization by Chemical Reaction In Transfer) source for direct MS screening. Key goals include demonstrating its unique flow-through dielectric barrier discharge design, assessing its performance across diverse analyte classes and comparing it to established ambient ionization methods.

Methodology and Instrumentation

The SICRIT® source employs a concentric dielectric barrier discharge at the atmospheric pressure inlet of mass spectrometers to generate reagent ions and softly ionize samples drawn into the vacuum. No carrier gases or consumables are required. Coupling options include direct infusion, GC, LC, SFC and a dedicated SPME-GC module for automated workflows. Major instruments used in the study:

• Thermo Fisher LTQ Orbitrap XL (mass range 50–750 m/z, resolution 30 000 FWHM)
• Bruker Ultivo Triple Quadrupole
• Agilent 8860 Gas Chromatograph with PAL RTC autosampler equipped for headspace, liquid and SPME injections

Main Results and Discussion

• Explosive Screening: Seven common explosives (e.g., TATP, FOX-7) were detected within seconds based on characteristic adduct ions ([M+NH4]+, [M–H]–, [M+NO3]–).
• PFCA Detection: Direct analysis of perfluorinated carboxylic acids on solid textiles or coatings achieved clear [M–H]– signals without extraction or enrichment.
• Flavor and Aroma Profiling: Over 500 volatile compounds—including caffeine, vanillin and key pyrazines—were identified in single coffee beans using high-resolution SICRIT®-MS screening and online monitoring of roasting.
• Pesticide Quantification: Soil and water extracts spiked with multiple pesticides were quantified via SPME-SICRIT®-MS with linear dynamic ranges spanning low ppt to ppb levels, LODs in the ppt range and intra-day precision <10%.
• Combined Workflow: An all-in-one setup enabled automatic direct screening followed by GC-MS confirmation only for positive samples, streamlining routine analysis and reducing costs.

Benefits and Practical Applications

• Universal Direct Screening: Capable of analyzing solids, liquids and gases without consumables.
• Soft Ionization: Minimizes fragmentation, preserving molecular information.
• High Sensitivity and Speed: Detects low-level contaminants in seconds.
• Quantitative Capability: Offers reliable concentration data over broad linear ranges.
• Seamless Integration: Supports GC, LC, SFC and SPME, and enables online process monitoring.

Future Trends and Possibilities for Use

Advancements may include miniaturized ambient ionization devices for field screening, integration with imaging platforms (e.g. laser ablation), real-time process control in manufacturing, and coupling with artificial intelligence for automated data interpretation and anomaly detection.

Conclusion

The SICRIT® ionization source significantly simplifies mass spectrometric screening by combining ambient, soft ionization with high sensitivity and flexibility. Its compatibility with multiple chromatographic techniques and ability to quantify without separation makes it an efficient tool for security, environmental and quality control laboratories.

References

1. Plasmion GmbH. SICRIT® Technology Application Note: Explosives Screening. 2020.
2. Zimmermann R. et al. University of Rostock, direct profiling of volatile metabolites via HR-SICRIT®-MS.
3. Bundesamt für Verbraucherschutz und Lebensmittelsicherheit. Pesticide Registration Data 2000–2017.