Related Articles

• Non-targeted analysis of electronics waste by comprehensive two-dimensional gas chromatography combined with high-resolution mass spectrometry: Using accurate mass information and mass defect analysis to explore the data

  Comprehensive two-dimensional gas chromatography (GC×GC) and high-resolution mass spectrometry (HRMS) offer the best possible separation of their respective techniques. Recent commercialization of combined GC×GC–HRMS systems offers new possibilities for the analysis of complex mixtures. However, such experiments yield enormous data sets that require new informatics tools to facilitate the interpretation of the rich information content. This study reports on the analysis of dust obtained from an electronics recycling facility by using GC×GC in combination with a new high-resolution time-of-flight (TOF) mass spectrometer. New software tools for (non-traditional) Kendrick mass defect analysis were developed in this research and greatly aided in the identification of compounds containing chlorine and bromine, elements that feature in most persistent organic pollutants (POPs). In essence, the mass defect plot serves as a visual aid from which halogenated compounds are recognizable on the basis of their mass defect and isotope patterns. Mass chromatograms were generated based on specific ions identified in the plots as well as region of the plot predominantly occupied by halogenated contaminants. Tentative identification was aided by database searches, complementary electron-capture negative ionization experiments and elemental composition determinations from the exact mass data. These included known and emerging flame retardants, such as polybrominated diphenyl ethers (PBDEs), hexabromobenzene, tetrabromo bisphenol A and tris (1-chloro-2-propyl) phosphate (TCPP), as well as other legacy contaminants such as polychlorinated biphenyls (PCBs) and polychlorinated terphenyls (PCTs).
• Analysis of Electronics Waste by GCxGC Combined with High-resolution Mass Spectrometry: Using Accurate Mass Information and Mass Defect Analysis to Explore the Data

  Comprehensive two-dimensional gas chromatography (GCxGC) in combination with high-resolution mass spectrometry (HRMS) is a powerful tool for the analysis of complex mixtures. However, new software tools are required to facilitate the interpretation of the rich information content in GCxGC/HRMS data sets. In this work, we analyzed a dust sample collected from an electronics recycling facility by using GCxGC in combination with a new high-resolution time-of-flight (TOF) mass spectrometer. Nontraditional Kendrick Mass Defect (KMD) plots were used to identify halogenated contaminants in an electronics waste sample. Database search results combined with elemental composition determinations from exact-mass data were used to identify (potential) persistent organic pollutants (POPs).
• Structural Characterization of Polymers by MALDI Spiral- TOF Mass Spectrometry Combined with Kendrick Mass Defect Analysis

  High-resolution mass spectrometry (HRMS) continues to play an important role in the compositional characterization of larger organic molecules. In the field of polymer characterization, however, the application of HRMS has made only slow progress because of lower compatibility between matrix-assisted laser desorption/ionization (MALDI) and ultrahigh-resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICRMS). In this study, a newly developed type of MALDI high-resolution time-of-flight mass spectrometry (TOFMS) with a spiral ion trajectory (MALDI spiral-TOFMS) was applied to the structural and compositional characterization of polymers. To create a graphical distribution of polymer components on a two-dimensional plot converted from complex mass spectra, we adopted a slightly modified Kendrick mass defect (KMD) analysis based on accurate masses determined using spiral-TOFMS. By setting the Kendrick mass scale based on the mass of the repeating units of a given polymer, components with common repeat units lined up in the horizontal direction on the KMD plot, whereas those components with different structures were shifted vertically. This combination of MALDI spiral-TOFMS measurement and KMD analysis enabled the successful discrimination of the polymer components in a blend of poly(alkylene oxide)s, the compositional analysis of poly(ethylene oxide)/poly(propylene oxide) block copolymers, and profiling of the end-group distribution of poly(ε- caprolactone)s synthesized under different conditions.
• Mass Spectrometry Imaging (MSI) on mixed conductive/non-conductive substrate using JMS-S3000 SpiralTOF™ - MSTips - 288

  In the industrial field, there is interest in measuring organic compounds on non-conductive substrates, such as resins a few millimeters thick. If the mass spectrum is obtained from the non-conductive surface with no pre-treatment, the mass resolution will be lower, and ultimately the ion intensity will decrease significantly due to the charge-up effect. This issue can be solved by providing conductivity to the non-conductive part via the gold deposition method.[1] In this report, MSI is performed using a permanent red marker on a substrate with a conductive part and a non-conductive part. Previously, ions could be observed only from the conductive part. Now, with the gold deposition method, they can be observed from both the conductive and the non-conductive parts, and they can be properly mapped.
• 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.
• Analyses of the thermal characteristics and gaseous products of guanidine nitrate/basic copper nitrate mixtures using calorimetry with high resolution mass spectrometry

  This work assessed the pyrolysis of a well-established gas generating agent consisting of a mixture of guanidine nitrate (GN) with basic copper nitrate (BCN), using thermogravimetry-differential scanning calorimetry in conjunction with high resolution mass spectrometry (TG/DSC/HRMS). This instrumentation simultaneously determined mass changes and heat flow, and also permitted evaluation of evolved gases on an accurate mass basis. Fragmentation ratio correction was used to analyze the MS data acquired via electron ionization. GN/BCN mixtures were found to undergo pyrolysis to evolve H2O, N2, NO, CO2 and N2O. Using HRMS, species having similar masses, such as CO2 and N2O, CO and N2, and NH3 and OH, were successfully distinguished. The thermal analysis data and the gas evolution results allowed a pyrolysis mechanism to be proposed. In this mechanism, a copper(II) complex obtained from the BCN catalytically decomposes NH3 generated from the GN to produce N2 and H2O. The pyrolysis of a mixture of GN and BCN thus provides a synergistic effect that increases the heat and gas output.