Structural Analysis of Oxidized Triolein March 5, 2020 Application Note, Mass Spectrometry (MS), SpiralTOF™-TOF 0 Introduction: In previous work, we showed that the JEOL SpiralTOFTOF system’s high-energy collision-induced dissociation (HE-CID) is useful for the structural analysis of triglycerides.1 The resulting HE-CID mass spectra provided detailed information about the fatty acid moieties such as the positions of double bonds, branching, hydroxylation, and oxidation by means of charge-remote fragmentation (CRF).2 In this work, we report the structural analysis of oxidized triglycerides by HE-CID using the SpiralTOFTOF. Experimental: Triolein, a triglyceride with 3 oleic acid moieties (Fig.1), was used in this experiment. The triolein sample was kept at 160°C for 60min so that thermal oxidation would occur. The resulting sample was then dissolved in tetrahydrofuran (THF) at a concentration of 10 mg/ mL. 2’,4’,6’-Trihydroxyacetophenone monohydrate (THAP) was used as the matrix and sodium trifluoroacetate (NaTFA) as the cationizing reagent. The THAP and NaTFA were dissolved in THF at a concentration of 10mg/mL and 1mg/mL, respectively. These two solutions and the sample solution were then mixed 1:1:1 by volume. Afterwards, 0.5 μL of this mixture solution was deposited and dried on the MALDI target plate. For full details: Attached files often contain the full content of the item you are viewing. Be sure and view any attachments. Apps Note Oxidized Triolein.pdf 725.73 KB Related Articles Structural Analysis of Triolein The JMS-S3000 “SpiralTOF™” is a MALDI-TOF MS that uses an innovative spiral ion optical system to achieve the highest resolution currently available for a MALDI instrument. Additionally, this system can be equipped with a TOF-TOF option that can acquire high-energy collisioninduced dissociation (HE-CID) product ion spectra for monoisotopically selected precursor ions. The resulting HE-CID product ion spectra provide detailed structural information about compounds like triglycerides by means of charge-remote fragmentation (CRF). In this work, we report the structural analysis of triolein, a triglyceride that contains 3 oleic acid moieties (Fig. 1), by using HE-CID capabilities of the SpiralTOF-TOF. 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. Direct analysis in real time mass spectrometry with collision-induced dissociation for structural analysis of synthetic cannabinoids DART-MS spectra were acquired under CID conditions to rapidly differentiate among five synthetic cannabinoids contained within ’herbal’ products purchased locally in New York State (USA). The spectra exhibited [M+H]+ ions and product ions unique to each cannabinoid that corresponded to major structural features. Five different cannabinoid analogs, alone and as mixtures of at least two cannabinoids, were identified in six herbal products and differentiated by their CID product ion patterns. 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. 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. Structural analysis of PET combining an on-plate alkaline degradation method & tandem TOFMS - MSTips 311 We investigated the structural analysis of the polyethylene-terephthalate (PET) polymer exposed to the on-plate alkaline degradation method by using the JMS-S3000 "SpiralTOFTM-plus" with TOF-TOF option. The SpiralTOFTM-plus uses an ultra-high resolution TOF for MS1 which allows monoisotopic precursor selection and a reflectron TOF for MS2 to analyze the product ion spectra produced from high energy collisional induced dissociation (HE-CID). Showing 0 Comment Comments are closed.