New dimensions in isotope ratio analysis Orbitrap Exploris™ Isotope Solutions

Significance of the Topic

Isotopic composition at the molecular and intramolecular level reveals formation pathways, environmental conditions and geochemical proxies with high specificity.

Objectives and Study Overview

This workflow description presents a comprehensive approach to high-resolution isotope ratio analysis using Orbitrap Exploris technology. It covers system configuration, sample introduction, data acquisition and evaluation strategies designed to measure natural abundance and position-specific isotopologue ratios, including clumped isotopes.

Methodology and Instrumentation

• Mass spectrometry platform:
  Orbitrap Exploris 120/240/480 MS with high-resolution accurate mass (HRAM)
• Sample introduction methods:
  Dual Syringe Inlet system for reference/sample switching
  Automated in-flow injection via Vanquish Neo UHPLC for higher throughput
• Data analysis:
  Dedicated isotope ratio MS evaluation software converts isotopologue ion intensities to precise isotope ratios relative to international standards.

Key Findings and Discussion

• Natural abundance measurements:
  Simultaneous detection of major and minor isotopologues (13C, 15N, 18O, 17O, 2H, 34S, etc.) in intact molecular ions.
• Position-specific isotope analysis:
  Controlled fragmentation yields functional group-resolved isotope information.
• Clumped isotope determination:
  Accurate quantification of multi-substituted isotopologues.

Benefits and Practical Applications

The Orbitrap Exploris workflow enables:

• Rapid direct analysis of polar compounds without derivatization.
• Enhanced sensitivity for minor isotopologues via HRAM signal amplification.
• Matrix interference removal through advanced quadrupole selection.

Applications span:

• Biogeochemistry: Multi-element isotopologue studies of environmental species.
• Metabolic research: Tracing pathway fluxes with position-specific labels.
• Food authenticity: Geographic and botanical origin verification.
• Geology and climatology: Paleoenvironmental reconstruction via isotope proxies.
• Forensics and doping control: Molecular source attribution.

Future Trends and Opportunities

Advances in Orbitrap technology and data analysis are expected to broaden isotope research into complex biomolecules, real-time reaction monitoring, and integration with imaging mass spectrometry for spatially resolved isotopic mapping.

Conclusion

Orbitrap Exploris Isotope Solutions provide a versatile, high-precision platform for comprehensive isotope ratio studies. The combination of HRAM, flexible sample introduction and robust data tools delivers new insights across a wide range of scientific fields.