Analytical Instrument Documents

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This report describes the development of a method for identifying whether a peak in a mass spectrum is an analysis target peak or a noise peak using machine learning with supervised data that focuses on peak shape.

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XtaLAB Synergy-ED allows molecular structural analysis of micro-crystals. It is quite effective for transition metal complexes in the difficult case of crystallization.

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msFineAnalysis AI is equipped with a structural analysis method using artificial intelligence (AI), called “AI structural analysis.” AI structural analysis enables the identification of molecular formulas as well as structural formulas of compounds that are not registered in the NIST 20 library (unknown compounds).

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We have used our newly-developed AI model to create a database of predicted EI mass spectra for around 100 million compounds. In this work, we introduce a polymer materials application that uses msFineAnalysis AI for structural analysis.

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We have used our newly-developed AI model to create a database of predicted EI mass spectra for around 100 million compounds. In this work, we introduce a polymer materials application that uses msFineAnalysis AI for structural analysis.

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We have used our newly-developed AI model to create a database of predicted EI mass spectra for around 100 million compounds. In this work, we introduce a polymer materials application that uses msFineAnalysis AI for structural analysis.

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We have used our newly-developed AI model to create a database of predicted EI mass spectra for around 100 million compounds. In this work, we introduce AI structure analysis function in automatic structure analysis software msFineAnalysis AI.

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JEOL’s GC-high resolution mass spectrometer (GC-HRMS), JMS-T2000GC, is capable of: 1) high precision mass analysis; 2) detection of molecular and fragment ions through electron ionization (EI) and soft ionization (SI); and 3) auto analysis of acquired data by msFineAnalysis AI to determine chemical formulas and predict chemical structures. In this work, we identified the chemical components contained in an herbal medicine using a JMS-T2000GC and msFineAnalysis AI.

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JEOL’s latest analytical software, msFineAnalysis AI, is designed to provide speedy analysis of GC-HRMS data acquired by both EI and SI, determine chemical formulas, and predict chemical structures. In this work, we used msFineAnalysis AI to identify impurities in 2-methoxy-1-methylethyl acetate (PGMEA), a cleaning solution for wafer surfaces.

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Currently, JASON SMILEQ supports the generation of two types of analytical reports based on quantitative analysis results. These reports offer comprehensive insights into the interpretation of quantitative data. This application note focuses on the impact of standard sample uncertainty, a key factor, and presents the results of a more detailed analysis of uncertainty factors conducted using the findings obtained in Part 1 and Part 2.

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Other Resources

Walkup NMR
  • See how the Delta NMR software allows users to just "walk up" and start NMR experiments
  • Mass Spec Reference Data
  • View our page of useful molecular references for Mass Spec
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  • Documents on the basics of mass spectrometry
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  • Videos on how to use the Delta NMR software
  • No-D NMR
  • Description of No-D NMR and how it can be used to eliminate the need for deuterated solvents
  • Non Uniform Sampling (NUS)
  • Description of how NUS is used to greatly reduce the time needed for running NMR experiments
  • NMR Basics
  • Overview of the Basics of NMR Theory
  • NMR Magnet Destruction
  • See our presentation of the slicing open of a JEOL Delta-GSX 270 MHz NMR Magnet
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    Basic Operations and System Management for JEOL NMR Users
    Mass Spec Training
    Learn more about spectrometer operation and maintenance, data collection and processing, and advanced MS software operation.
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