With more than 50 years of innovation in mass spectrometry, JEOL, Japan, is once again pushing science a step further with their introduction of msFineAnalysis AI, an artificial intelligence-powered software designed to automatically perform qualitative GC-MS analysis.<\/p>\n
msFineAnalysis AI o\ufb00ers a new structure analysis tool for unknowns that is speci\ufb01cally designed for the JEOL JMS- T2000GC \u201cAccuTOF\u2122 GC-Alpha.\u201d This next-generation software adds this structure analysis capability to the automatic qualitative analysis functionality that was already available with our previous generation msFineAnalysis.<\/p>\n
This software\u2019s integrated analysis combines GC\/EI high resolution data, GC\/soft ionization high resolution data, and structure analysis using two AIs. These advanced AI technologies allow msFineAnalysis AI to provide a unique automatic structure analysis capability that was not previously available for GC-MS qualitative analysis.<\/p>\n
Currently available GC-MS databases contain mass spectra for less than one million chemical compounds, a tiny fraction of the possible chemical structures. Prior to the development of JEOL\u2019s new software, identification of compounds that do not have entries in the mass spectral databases required a skilled chemist with significant knowledge, experience, and time.<\/p>\n
In this AI-assisted workflow, deconvolution of GC-MS data into mass spectrum, library search, molecular ion search, accurate mass analysis, isotope pattern matching, and structural analysis can all happen within minutes.<\/p>\n
This newly developed automated structural analysis software incorporates two different structure analysis tools: an in-silico database consisting of AI-generated EI mass spectra for the 100 million structures in the PubChem database, and a support AI that predicts the presence and absence of common substructures.<\/p>\n
Applications scientist Dr. Chip Cody is particularly excited about what this software means for the scientific community as a whole, saying \u201cComputer-aided determination of chemical structures from EI mass spectra and the reverse \u2013 prediction of EI mass spectra from chemical structures — has been a goal since the 1960\u2019s. This goal is finally achieved with JEOL\u2019s development of msFineAnalysis AI.\u201d<\/p>\n
msFineAnalysis AI is available exclusively on JEOL\u2019s 6th-generation high resolution time-of-flight mass spectrometer (HRTOFMS), the AccuTOF GC-Alpha. This AI-powered software combined with increased mass resolving power (R=30,000), improved mass accuracy (\u2264 1ppm), and multiple soft ionization sources, makes the GC Alpha an excellent choice for mass spectrometry labs exploring a variety of applications.<\/p>\n
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For more information:<\/p>\n
JEOL USA, Inc., a wholly owned subsidiary of JEOL, Ltd., Japan<\/p>\n