Automated structural analysis for the real unknown compounds by combining an artificial intelligence (AI) technology and GC-TOFMS system -Introduction of msFineAnalysis AI, an integrated qualitative analysis software-

Electron ionization (EI) is the most popular method used in gas chromatography-mass spectrometry (GC-MS). The compounds are identified by mass spectral database search using EI mass spectra. Because the molecular ions are often weak or absent in EI mass spectra, identification of unknowns can be difficult by EI alone. When this happens, soft ionization is very helpful for obtaining and identifying the molecular ions. In 2018, we have launched an integrated qualitative analysis software “msFineAnalysis” which can combine and interpret the information from EI and soft ionization data automatically.

This year, we have newly developed automated structure analysis functionality on the msFineAnalysis using with an artificial intelligence (AI) technology to predict EI mass spectrum from chemical structure. The newly developed AI model is using a set of actual EI mass spectra and chemical structures over 300,000 compounds. We have already created a predicted EI mass spectra database for around 100 million compounds using with this developed AI model. 
JEOL GC-TOFMS system only can offer automated structural analysis results combining with integrated qualitative analysis results and the AI predicted EI mass spectra database.

This seminar will be distributed online. As far as you can connect to internet, you can participate in the seminar from your computer as well as from your smartphone or tablet. We look forward to your participation.

"By attending this webinar you will learn...

• Latest GC-TOFMS system and unique qualitative analysis software
• Unknown compounds identification solution
• Automated structure analysis functionality for GC-MS analysis

"Who should attend?

• All GC-MS users
• Non-targeted analysis researchers
• Need a chemical structure analysis

Presenter

Masaaki Ubukata, Ph.D.

MS Business Unit
MS Marketing Department
JEOL Ltd.