Utilizing msFineAnalysis AI to Verify an Organic Synthetic Compound Structure Based on the Data Acquired by Gas Chromatography-High Resolution Mass Spectrometry and Nuclear Magnetic Resonance- EI/FI Measurement
General
Gas chromatography-high resolution mass spectrometry (GC-HRMS) combined with nuclear magnetic resonance spectroscopy (NMR) is widely used for identifying chemical compositions and structures of organic synthetic compounds.
The JMS-T2000GC, an GC-HRMS system which supports both electron ionization (EI) and field ionization (FI), incorporates a common ion source capable of switching between the EI and FI modes while keeping the system in a vacuum. msFineAnalysis AI is designed to analyze the data acquired by the 2 ionization methods, and estimate chemical structures as well as compositions, which helps determine NMR measurement methods and examine the resulting NMR data. GC separation can also verify if a sample is made of a single component or a mixture of multiple components. JEOL’s ROYAL HFX PROBETM, an accessory for the JNM-ECZ600 NMR system, is capable of tuning on the HF side (1H,19F) for single and double resonance, allowing the operator to select one desired for the experiment. Combined with the LF side (13C, etc.), the probe supports simultaneous tuning for triple resonance, rendering itself as a powerful tool to determine chemical structures of organic synthetic compounds made of C, H, and F.
In this work, we examined the chemical composition and structure of an organic synthetic compound using a JMS-T2000GC with msFineAnalysis AI and JNM-ECZ600 with ROYALPROBETMHFX.