Analytical Instrument Documents

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.

In this report, we have applied this combined method to analyze a polyethylene terephthalate (PET) that was degraded by ultraviolet (UV) irradiation.

In this report, we have expanded MALDI-MSI to analyzing a PET film that was exposed to UV radiation. Additionally, a SEM was used to look at the morphological differences in the PET film before and after UV irradiation.

In this study, we used the JMS-S3000 to test several matrices for PSD effects and to measure high resolution mass spectra of intact insulin, ubiquitin and cytochrome C.

In this report, we investigate a MSI visualization method for synthetic polymers that uses Mn, Mw and D as indices for visualization.

In this report, we have combined this method with the Kendrick Mass Defect (KMD) method to effectively visualize polymer series mixtures.

JEOL has developed msFineAnalysis software that integrates both EI and soft ionization data with library search, exact mass, and isotope data.

Cocoa butter is the edible fat extracted from cocoa beans that is used in the manufacture of chocolate. Cocoa Butter Equivalents (CBE) are a substance derived from palm oil and shea butter that are used as a substitute for cocoa butter in chocolate. European regulations govern the labeling of chocolate as containing CBE less than 5%. US regulations require that Cocoa Butter Equivalents be specifically labeled with wording such as “chocolate flavored” coating. Analysis of the triglyceride content of chocolate is a quality control measure. Analysis of a standard sample of cocoa butter triglycerides is presented here as an example of the use of the JEOL Q1500 quadrupole GC-MS system for the detection of lipids separated by using a high-temperature GC column (Restek Rtx-65TG).

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.

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.