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European Journal of Mass Spectrometry

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https://www.readbyqxmd.com/read/28657438/4d-phase-space-acceptance-of-the-quadrupole-mass-filter
#1
A N Konenkov, N V Konenkov, A N Verenchikov
Simulations of the four-dimensional (4D) phase-space acceptance volume of a quadrupole mass filter (QMF) are discussed. The 4D acceptance is considered since the ion trajectories in the X and Y phase planes are dependent via the initial RF phase at ion entry into QMF. The QMF parameters are set up for resolution equal to the ion mass number M. For a wide range of ion masses, the acceptance is characterized by relatively large aperture with about 5% transmission, primarily defined by phase dependent ellipses...
June 2017: European Journal of Mass Spectrometry
https://www.readbyqxmd.com/read/28657437/neuropeptide-imaging-in-rat-spinal-cord-with-maldi-tof-ms-method-development-for-the-application-in-pain-related-disease-studies
#2
Ping Sui, Hiroyuki Watanabe, Konstantin Artemenko, Wei Sun, Georgy Bakalkin, Malin Andersson, Jonas Bergquist
Spinal cord as a connection between brain and peripheral nervous system is an essential material for studying neural transmission, especially in pain-related research. This study was the first to investigate pain-related neuropeptide distribution in rat spinal cord using a matrix-assisted laser desorption ionization-time of flight imaging mass spectrometry (MALDI TOF MS) approach. The imaging workflow was evaluated and showed that MALDI TOF MS provides efficient resolution and robustness for neuropeptide imaging in rat spinal cord tissue...
June 2017: European Journal of Mass Spectrometry
https://www.readbyqxmd.com/read/28657436/unexpected-hydrated-ions-in-the-detection-of-sodium-adduct-coumarins-using-electrospray-tandem-mass-spectrometry
#3
Dan Hu, Tian Cai, Wei-Ying Wang, Li-Ming Ye, Zhi-Jun Wu
A series of coumarins were analyzed using electrospray ionization quadrupole time-of-flight tandem mass spectrometry in the positive-ion mode. Unexpected hydrated ions ([M + H2O + Na](+)) was observed upon collision-induced dissociation of the sodiated ions ([M + Na](+)) of eight coumarins. Several factors which affected relative abundance of [M + H2O + Na](+) ions such as collision energy, concentration and solvent were investigated. None of them have effect on the relative abundance of [M + H2O + Na](+). However, the peak of hydrated ions was not detected in the further collision-induced dissociation of protonated ions of coumarins...
June 2017: European Journal of Mass Spectrometry
https://www.readbyqxmd.com/read/28657435/enhanced-detection-of-amino-acids-in-hydrophilic-interaction-chromatography-electrospray-tandem-mass-spectrometry-with-carboxylic-acids-as-mobile-phase-additives
#4
Dengyang Yin, Xunxiu Hu, Dantong Liu, Wencheng Du, Haibo Wang, Mengzhe Guo, Daoquan Tang
Liquid chromatography coupled with mass spectrometry technique has been widely used in the analysis of biological targets such as amino acids, peptides, and proteins. In this work, eight common single carboxylic acids or diacids, which contain different pKa have been investigated as the additives to the analysis of amino acids. As the results, carboxylic acid additive can improve the signal intensity of acidity amino acids such as Asp and Glu and the chromatographic separation of basic amino acids such as Arg, His, and Lys...
June 2017: European Journal of Mass Spectrometry
https://www.readbyqxmd.com/read/28657434/quick-elucidation-of-cyclodepsipeptide-sequence-from-sacoglossan-elysia-grandifolia-using-electrospray-ionisation-tandem-mass-spectrometry
#5
Supriya Tilvi, Prabha Devi, Mahesh S Majik
Butanol fraction of sacoglossan Elysia grandifolia was investigated for identifying peptides using electrospray ionisation-tandem mass spectrometry (ESI-MS/MS). Without prior isolation, the structural determination is achieved on the basis of mass fragmentation pattern and comparison with the previously established data. The ESI-MS of the fraction in the positive ion mode gave clusters of singly and doubly charged molecular ion peaks. The ESI-MS spectrum showed peaks for the presence of the peptides kahalalides F, G, R and S reported earlier...
June 2017: European Journal of Mass Spectrometry
https://www.readbyqxmd.com/read/28657433/editorial
#6
Jürgen Grotemeyer
No abstract text is available yet for this article.
June 2017: European Journal of Mass Spectrometry
https://www.readbyqxmd.com/read/28657416/maldi-tof-mass-spectrometry-provides-high-accuracy-in-identification-of-salmonella-at-species-level-but-is-limited-to-type-or-subtype-salmonella-serovars
#7
Lin Kang, Nan Li, Ping Li, Yang Zhou, Shan Gao, Hongwei Gao, Wenwen Xin, Jinglin Wang
Salmonella can cause global foodborne illnesses in humans and many animals. The current diagnostic gold standard used for detecting Salmonella infection is microbiological culture followed by serological confirmation tests. However, these methods are complicated and time-consuming. Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) analysis offers some advantages in rapid identification, for example, simple and fast sample preparation, fast and automated measurement, and robust and reliable identification up to genus and species levels, possibly even to the strain level...
April 2017: European Journal of Mass Spectrometry
https://www.readbyqxmd.com/read/28657415/the-investigation-of-the-bio-oil-produced-by-hydrothermal-liquefaction-of-spirulina-platensis-using-ultrahigh-resolution-fourier-transform-ion-cyclotron-resonance-mass-spectrometry
#8
Yury Kostyukevich, Mikhail Vlaskin, Gleb Vladimirov, Alexander Zherebker, Alexey Kononikhin, Igor Popov, Eugene Nikolaev
We report the investigation of the hydrothermal liquefaction products of the Spirulina platensis microalgae by using the Fourier transform ion cyclotron resonance mass spectrometry. The hydrothermal liquefaction produced two fractions: one with boiling temperature below 300℃ and the dense residue that remained in the reactor. It was observed that N2 and N classes of compounds that dominate in the positive ESI Fourier transform ion cyclotron resonance spectra for both fractions, and that the light fraction is considerably more saturated then the heavy one...
April 2017: European Journal of Mass Spectrometry
https://www.readbyqxmd.com/read/28657414/using-aromatic-polyamines-with-high-proton-affinity-as-proton-sponge-dopants-for-electrospray-ionisation-mass-spectrometry
#9
Marisa A Wirth, Christopher P Rüger, Martin Sklorz, Ralf Zimmermann
Proton sponges are polyamines with high proton affinity that enable gentle deprotonation of even mildly acidic compounds. In this study, the concept of proton sponges as signal enhancing dopants for electrospray ionisation is presented for the first time. 1,8-Bis(dimethylamino)naphthalene (DMAN) and 1,8-bis(tetramethylguanidino)naphthalene (TMGN) were chosen as dopants, using methanol and acetonitrile/methanol as solvents. Individual standard compounds, compound mixtures and a diesel fuel as a complex sample matrix were investigated...
April 2017: European Journal of Mass Spectrometry
https://www.readbyqxmd.com/read/28657413/dynamic-measurement-of-newly-formed-carbonyl-compounds-in-vapors-from-electronic-cigarettes
#10
Cecilia Sala, Claudio Medana, Raffaele Pellegrino, Riccardo Aigotti, Federica Dal Bello, Giancarlo Bianchi, Enrico Davoli
Recently, the formation of carbonyl compound within e-cigarettes usage has been reported. The aim of this study was to develop a new analytical method for the direct analysis of carbonyl compounds in vaporized liquids. Two different types of e-cigarettes and different puff's duration have been evaluated, using a modified smoking machine for vapor generation. An isotopic dilution approach, based on deuterated internal standard addition to the e-liquid before filling the e-cigarette tank, has been developed. Carbonyl compounds have been sampled in vapors using a direct, simple, solid-phase microextraction technique with on-fiber derivatization...
April 2017: European Journal of Mass Spectrometry
https://www.readbyqxmd.com/read/28657412/relationship-between-proton-affinities-and-structures-of-proton-bound-dimers
#11
Younes Valadbeigi
This work presents a structural approach for determination of proton affinities of molecules. In proton-bound dimer [X…H…M](+), M and X compete with each other to capture the proton. The correlation between proton affinities of a series of molecules, M, and X…H bond length was studied while X was a common molecule in the all proton-bound dimers. Linear relationships were observed between proton affinities of a series of alcohols, ethers, aldehydes, ketones and amines and X…H bond length, where H2O and HF were used as X...
April 2017: European Journal of Mass Spectrometry
https://www.readbyqxmd.com/read/28657450/comprehensive-chemical-comparison-of-fuel-composition-and-aerosol-particles-emitted-from-a-ship-diesel-engine-by-gas-chromatography-atmospheric-pressure-chemical-ionisation-ultra-high-resolution-mass-spectrometry-with-improved-data-processing-routines
#12
Christopher P Rüger, Theo Schwemer, Martin Sklorz, Peter B O'Connor, Mark P Barrow, Ralf Zimmermann
The analysis of petrochemical materials and particulate matter originating from combustion sources remains a challenging task for instrumental analytical techniques. A detailed chemical characterisation is essential for addressing health and environmental effects. Sophisticated instrumentation, such as mass spectrometry coupled with chromatographic separation, is capable of a comprehensive characterisation, but needs advanced data processing methods. In this study, we present an improved data processing routine for the mass chromatogram obtained from gas chromatography hyphenated to atmospheric pressure chemical ionisation and ultra high resolution mass spectrometry...
February 2017: European Journal of Mass Spectrometry
https://www.readbyqxmd.com/read/28657449/chemical-and-biological-comparison-of-different-sections-of-uncaria-rhynchophylla-gou-teng
#13
Jian-Gang Zhang, Chang-An Geng, Xiao-Yan Huang, Xing-Long Chen, Yun-Bao Ma, Xue-Mei Zhang, Ji-Jun Chen
Uncaria rhynchophylla (Gou-Teng in Chinese) is officially documented in Chinese pharmacopoeia as one of the authentic sources for the crude drug of Gou-Teng which has long been used for mental and cardiovascular diseases. Indole alkaloids are the characteristic constituents responsible for the desired hypotensive effect; however, the psychiatric active constituents of Gou-Teng are still unclear. According to traditional Chinese medicine theory, only the hook-bearing stems of U. rhynchophylla are used as the crude materials for Gou-Teng, while its leaves and fruits are scarcely used...
February 2017: European Journal of Mass Spectrometry
https://www.readbyqxmd.com/read/28657448/nudged-elastic-band-method-and-density-functional-theory-calculation-for-finding-a-local-minimum-energy-pathway-of-p-benzoquinone-and-phenol-fragmentation-in-mass-spectrometry
#14
Natsuhiko Sugimura, Yoko Igarashi, Reiko Aoyama, Toshimichi Shibue
Analysis of the fragmentation pathways of molecules in mass spectrometry gives a fundamental insight into gas-phase ion chemistry. However, the conventional intrinsic reaction coordinates method requires knowledge of the transition states of ion structures in the fragmentation pathways. Herein, we use the nudged elastic band method, using only the initial and final state ion structures in the fragmentation pathways, and report the advantages and limitations of the method. We found a minimum energy path of p-benzoquinone ion fragmentation with two saddle points and one intermediate structure...
February 2017: European Journal of Mass Spectrometry
https://www.readbyqxmd.com/read/28657447/investigation-of-collision-induced-dissociation-products-and-structures-of-gas-phase-m%C3%A2-glyglyhis-h-m-fe-ni-cu-and-zn-complexes
#15
Bharathi Gannamani, Joong-Won Shin
Collision-induced dissociation is carried out for electrosprayed [Fe·GlyGlyHis-H](+), [Ni·GlyGlyHis-H](+), [Cu·GlyGlyHis-H](+), and [Zn·GlyGlyHis-H](+) complexes. [Fe·GlyGlyHis-H](+), [Ni·GlyGlyHis-H](+), and [Zn·GlyGlyHis-H](+) yield metal-bound peptide sequence ions and dehydrated ions as primary products, whereas [Cu·GlyGlyHis-H](+) generates a more extensive series of metal-bound sequence ions and a product arising from the unusual loss of a formaldehyde moiety; dehydration is significantly suppressed for this complex...
February 2017: European Journal of Mass Spectrometry
https://www.readbyqxmd.com/read/28657446/observed-adducts-on-positive-mode-direct-analysis-in-real-time-mass-spectrometry-proton-ammonium-adduct-selectivities-of-600-sample-in-house-chemical-library
#16
Natsuhiko Sugimura, Asami Furuya, Takahiro Yatsu, Yoko Igarashi, Reiko Aoyama, Chisato Izutani, Yorihiro Yamamoto, Toshimichi Shibue
In this study, direct analysis in real time adduct selectivities of a 558 in-house high-resolution mass spectrometry sample library was evaluated. The protonated molecular ion ([M + H](+)) was detected in 462 samples. The ammonium adduct ion ([M + NH4](+)) was also detected in 262 samples. [M + H](+) and [M + NH4](+) molecular ions were observed simultaneously in 166 samples. These adduct selectivities were related to the elemental compositions of the sample compounds. [M + NH4](+) selectivity correlated with the number of oxygen atom(s), whereas [M + H](+) selectivity correlated with the number of nitrogen atom(s) in the elemental compositions...
February 2017: European Journal of Mass Spectrometry
https://www.readbyqxmd.com/read/28657445/editorial
#17
Jürgen Grotemeyer
No abstract text is available yet for this article.
February 2017: European Journal of Mass Spectrometry
https://www.readbyqxmd.com/read/27900861/thermal-desorption-combined-with-atmospheric-pressure-photo-ionization-for-the-analysis-of-volatile-compounds-and-its-possible-applications
#18
Yury Kostyukevich, Ludmila Borisova, Alexey Kononikhin, Igor Popov, Eugene Kukaev, Eugene Nikolaev
We report an approach to study volatile organic compounds based on thermal desorption combined with atmospheric pressure photo ionization. The approach allows the sequential evaporation of different fractions of the sample, which simplifies the mass spectrum. We have applied the developed method for the detection of petroleum in vegetable oil. We have shown that in the negative mode, ions of fatty acids corresponding to vegetable oil dominates, while in the positive mode under relatively low temperature the light fraction of petroleum rapidly evaporates making it easy detectable...
2016: European Journal of Mass Spectrometry
https://www.readbyqxmd.com/read/27900860/atmospheric-pressure-thermal-ionization-ion-source-for-peptide-analysis
#19
Eugenii N Kukaev, Alexey S Kononikhin, Natalia L Starodubtseva, Yury I Kostyukevich, Igor A Popova, Vitaliy Chagovets, Konstantin O Nagornov, Eugene N Nikolaev
A novel atmospheric pressure thermal ionization (APTI) ion source was developed for the analysis of liquid samples. The feasibility of the ion source was demonstrated on peptides using two configurations-assisted by hot wire or hot surface. Microalloyed molybdenum, used as a thermal ion- emitter, notably facilitated the formation of multiply-charged ions, but fragmentation products were still observed. Peptide fragmentation accompanying thermal ionization can be used for peptide identification. The described method is promising for studies of biological samples with minimal pre-treatment...
2016: European Journal of Mass Spectrometry
https://www.readbyqxmd.com/read/27900859/metal-ion-hydrocarbon-bidentate-bonding-in-alkyl-acetates-methyl-alkanoates-alcohols-and-1-alkenes-a-comparative-study
#20
Peter C Burgers, John L Holmes, Johan K Terlouwc
The relative affinity of the monovalent metal ions Li(+), Na(+), Cu(+) and Ag(+) towards a series of aliphatic alkyl acetates and some selected 1-alkenes (P) was examined using the kinetic method. A detailed analysis of the dissociation characteristics of a series of mixed metal-bound dimer ions of the type P1-M(+)-P2 and the evaluated proton affinities (PAs) of the monomers shows that the affinity of the cation towards long-chain alkyl acetates and alkenes (having a chain length ≤ C4) is markedly enhanced...
2016: European Journal of Mass Spectrometry
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