Thermo Scientific Orbitrap ID-X Tribrid mass spectrometer

Importance of the topic

Characterization and identification of small molecules in complex samples pose challenges due to matrix interferences compound diversity and limited data processing tools

Objective and overview

This document presents the Orbitrap ID-X Tribrid mass spectrometer and the intelligent AcquireX workflow designed to enhance data acquisition and interpretation for small molecule analysis increasing throughput and confidence in unknown identification

Methodology and instrumentation

• Tribrid architecture combining quadrupole ion trap and ultra-high-field Orbitrap mass analyzer
• Dual fragmentation techniques collision induced dissociation and high energy collision dissociation at any MSn stage
• Active Beam Guide for beam focusing and optional EASY-IC ion source for internal mass calibration

AcquireX intelligent acquisition modes

• Background exclusion for efficient MSn sampling
• Dynamic exclusion and component inclusion to expand compound coverage
• Deep scan for exhaustive interrogation using automated inclusion and exclusion lists

MS internal calibration ensures mass accuracy over extended runs and scan cycles and software tools such as Compound Discoverer mzCloud mzLogic and Mass Frontier support spectral library searching in silico fragmentation and spectral tree annotation

Main results and discussion

• AcquireX increased unique MSn events by up to 140 percent in replicate plasma injections
• Low abundance analytes captured effectively through automated list generation
• Doubled number of compounds with MS/MS spectra in untargeted metabolomics
• MSn fragmentation and predictive tools enabled differentiation of isomeric impurities
• Consistent mass measurement accuracy below 1 ppm across 72 hour studies

Benefits and practical applications

• Ready to use method templates simplify setup and reduce expertise requirement
• Enhanced workflows for metabolomics drug impurity profiling extractables and leachables and pharmaceutical R and D
• Accelerated identification of known and unknown molecules with high confidence
• Integrated cloud enabled workflows for remote monitoring and data analysis

Future trends and prospects

Advances in machine learning and AI driven acquisition will further automate inclusion list creation and spectral interpretation. Expansion of high quality spectral libraries ion mobility coupling and real time cloud based data processing will drive next generation small molecule discovery

Conclusion

The Orbitrap ID-X Tribrid mass spectrometer with intelligent AcquireX and advanced MSn capabilities offers a transformative solution for small molecule analysis combining automation high resolution and robust data processing to accelerate research and quality control across diverse applications

Instrumentation

• Orbitrap ID-X Tribrid mass spectrometer
• Ultra-High-Field Orbitrap mass analyzer
• Dual-Pressure linear ion trap
• Quadrupole mass filter
• S-Lens and Active Beam Guide
• Optional EASY-IC ion source