Integrated Analysis of GC-HRTOFMS Data Using Hard and Soft Ionization to Identify Trace Impurities in Fine Chemicals Non-targeted analysis of complex mixtures by GC-HRMS should make use of all of the available data to identify unknowns. An automated data analysis software package combining chromatographic deconvolution with integrated analysis of high-resolution mass spectra for electron ionization (EI) and soft ionization measurements is applied to the identification of trace impurities in a fine chemical (triphenylphosphine). April 28, 2021 AccuTOF™ GC, Application Note, Mass Spectrometry (MS), msFineAnalysis 0 Comment Read More >>
Integrated Analysis of a Vinyl Acetate Resin using Pyrolysis GC-HRMS - MSTips 275 In this work, we introduce the msFineAnalysis software and use it to automatically combine data acquired by GC/EI and GC/soft ionization for the qualitative analysis of compounds produced by the pyrolysis of a vinyl acetate resin. June 22, 2020 AccuTOF™ GC, Application Note, Mass Spectrometry (MS), Materials, msFineAnalysis 0 Comment Read More >>
JMS-T200GC msFineAnalysis Brochure For qualitative analysis of High Resolution GC Mass Spec data, JEOL has developed msFineAnalysis software that integrates both EI and soft ionization data (GC/CI, PI, FI) with library search, exact mass, and isotope data. The software compares molecular formula information acquired from the NIST library search with soft ionization exact mass data analysis to ensure accurate qualitative results. It automatically examines the NIST library search results, reduces the possibility of false positive identifications, and selects the correct components from multiple candidates with similar scores. For unknown components not registered in the NIST libraries, it estimates molecular formulas by using the soft ionization data, acquires partial structure information and estimates structural formulas by using the EI data. msFineAnalysis takes qualitative GC-MS analysis to a whole new level, and is a major addition to the capabilities of our AccuTOF-GCx-plus June 12, 2020 AccuTOF™ GC, Application Note, Introduction, Mass Spectrometry (MS), msFineAnalysis, Product Brochures 0 Comment Read More >>
Integrated Analysis of Fatty Acid Methyl Esters using msFineAnalysis v2 - MSTips 301 Fatty acid methyl esters (FAMEs) are crucial for determining the fat content in food. Being environmentally friendly, they are also increasingly used as bio-diesel fuels. Many of the FAMEs are unsaturated with double bonds in the alkyl chains. As the number of double bonds increases (more unsaturation), the EI measurements tend to lack molecular ions. In this work, we measured a standard sample containing multiple FAMEs using EI and FI to detect their molecular ions. The resulting data was further examined by using msFineAnalysis to produce an integrated report for these compounds in which the library database search was combined with the molecular ion exact mass analysis to produce a qualitative identification of these compounds. April 13, 2020 AccuTOF™ GC, Application Note, Environmental / Food, Mass Spectrometry (MS), msFineAnalysis msFineAnalysis 0 Comment Read More >>
Integrated Analysis of Coffee Aroma by using a Headspace GC-HRMS - MSTips 280 Electron ionization (EI) is a hard ionization method that is commonly used with gas chromatography mass spectrometry (GC-MS). The mass spectral fragmentation patterns produced by EI are used for library database searches to identify compounds. Conversely, soft ionization methods like field ionization (FI) tend to produce clear molecular ions with minimal fragmentation. When high-resolution MS is used with these ionization techniques, the accurate masses for the fragment ions produced by EI and the molecular ions produced by soft ionization provide an additional dimension of information for the analytes. Combining the exact mass information with the results of conventional library search can enhance the accuracy of identification compared to the use of library search alone. In this work, we introduce the msFineAnalysis software and use it to automatically combine data acquired by GC/EI and GC/soft ionization for the qualitative analysis of coffee headspace. April 13, 2020 AccuTOF™ GC, Application Note, Mass Spectrometry (MS), Materials, msFineAnalysis msFineAnalysis 0 Comment Read More >>
Integrated Analysis of an Acrylic Resin using msFineAnalysis v2 - MSTips 300 In 2018, msFineAnalysis Ver.1 software was released in which data acquired by EI, soft ionization, and accurate mass measurements were automatically integrated to generate a qualitative report for samples measured by these techniques with GC-MS. Recently, msFineAnalysis Ver.2 was introduced as an enhanced version with additional features. In this work, we will describe the changes in Ver.2, which now includes chromatographic deconvolution, and present applications using the new features. April 13, 2020 AccuTOF™ GC, Application Note, Mass Spectrometry (MS), Materials, msFineAnalysis msFineAnalysis 0 Comment Read More >>
Analyzing a Specific Component using Group Analysis of msFineAnalysis Ver. 2 - MSTips 303 In 2018, we announced the msFineAnalysis software which was designed to automatically integrate two types of data acquired by EI and soft ionization. Recently, we developed msFineAnalysis Version 2, an enhanced version with additional features. msFineAnalysis Version 2 incorporates two new features: Chromatographic Deconvolution and Group Analysis. In this work, we use the group analysis capabilities of the software to evaluate the pyrolysis GC-MS results for a vinyl acetate resin. April 13, 2020 AccuTOF™ GC, Application Note, Mass Spectrometry (MS), Materials, msFineAnalysis msFineAnalysis 0 Comment Read More >>