Analytical Instrument Documents

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.

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.

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.

JEOL msPrimo and Escrime software provide all of the tools needed to develop optimized methods for target compound quantitation and report generation. In this application note, we describe a sensitive method for analyzing pesticides in Cannabis sativa matrix using the SRM capabilities of our triple quadrupole system.

The chemical composition of herbs and spices can vary dramatically between different species and different growing conditions. Herbs grown under different conditions that have different essential oil compositions are referred to as chemotypes. Basil is an herb that has widely varying chemotypes. The difference between basil leaves from two different sources was easily observed by using DART. A leaf from a basil plant purchased at a grocery store was compared with a leaf from a Vietnamese restaurant. A small particle from each leaf was analyzed placed in front of the DART source. Mass spectra were obtained within seconds. Elemental compositions were confirmed by exact masses and accurate isotopic abundance measurements.

Mass Spectrometry (MS) is one of the fastest-growing areas in analytical instrumentation. The use of mass spectrometry in support of synthetic, organic, and pharmaceutical chemistry is well established. Mass spectrometry is also used in materials science, environmental research, and forensic chemistry. It has also evolved into one of the core methods used in biotechnology. However, currently available ion sources place extreme restrictions on the speed and convenience of sample analysis by mass spectrometry. Here we report a method for using mass spectrometry to instantaneously analyze gases, liquids, and solids in open air at ground potential under ambient conditions. Traditional ion sources used in mass spectrometry require the introduction of samples into a high vacuum system.

A new MALDI-TOF/TOF system with monoisotopic precursor selection was applied to the analysis of triacylglycerols in an olive oil sample. Monoisotopic precursor selection made it possible to obtain product-ion mass spectra without interference from species that differed by a single double bond. Complete structure determination of all triacylglycerols, including structural isomers, was made possible by interpreting the charge-remote fragmentation resulting from high-energy collision-induced dissociation (CID) of the sodiated triacylglycerols.

A Japanese lacquer film called "Urushi" is a natural polymer that has been used as a paint and adhesive for living-wares and craft-wares for approximately 8,000 years. "Urushi" has a complex structure that researchers are trying to understand using pyrolysis-gas chromatograph/mass spectrometer (Py/GC/MS) system. Recently, we developed a new gas chromatograph/high resolution time-of-flight mass spectrometer (GC/HR-TOFMS) system that can be used for comprehensive two-dimensional GC (GCxGC) measurements. Additionally, we have developed a unique combination electron ionization/photoionization (EI/PI) ion source that can be used with this GC/HR-TOFMS system. In this work, we measured "Urushi" samples using this unique Py/GCxGC/HR-TOFMS system in combination with our new combination EI/PI ion source.

A gas-chromatograph mass spectrometer (GC-MS) is a combined analyzer that has superior ability in analyzing organic compounds qualitatively and quantitatively. The first part, gas chromatograph, separates the compounds included in a sample (mixture), then the second part, mass spectrometer, obtains mass spectra of the compounds to carry out qualitative analysis. Quantitative analysis can be carried out as well from the peak area of the mass chromatogram of the compound. As a mass spectrometer of a GC-MS system, several types of mass spectrometers are on the market, such as magnetic field, quadrupole (QMS), ion trap (ITD), and time-of-flight (TOF). Each mass spectrometer has its own features and applications.


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