Journal of Mass Spectrometry

Items from 1 to 19 out of 19 results

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Characterization of degradation products of Ivabradine by LC‐HR‐MS/MS: a typical case of exhibition of different degradation behaviour in HCl and H₂SO₄ acid hydrolysis

Prinesh N. Patel, Roshan M. Borkar, Pradipbhai D. Kalariya, Rahul P. Gangwal, more

Journal of Mass Spectrometry > 50 > 2 > 344 - 353

A validated stability‐indicating HPLC method was established, and comprehensive stress testing of ivabradine, a cardiotonic drug, was carried out as per ICH guidelines. Ivabradine was subjected to acidic, basic and neutral hydrolysis, oxidation, photolysis and thermal stress conditions, and the resulting degradation products were investigated by LC‐PDA and LC‐HR‐MS/MS. The drug was found to degrade...

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Targeted quantitative phosphoproteomic analysis of erythrocyte membranes during blood bank storage

Sara Rinalducci, Valentina Longo, Luigi R. Ceci, Lello Zolla

Journal of Mass Spectrometry > 50 > 2 > 326 - 335

One of the hallmarks of blood bank stored red blood cells (RBCs) is the irreversible transition from a discoid to a spherocyte‐like morphology with membrane perturbation and cytoskeleton disorders. Therefore, identification of the storage‐associated modifications in the protein–protein interactions between the cytoskeleton and the lipid bilayer may contribute to enlighten the molecular mechanisms...

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Bromine isotopic signature facilitates de novo sequencing of peptides in free‐radical‐initiated peptide sequencing (FRIPS) mass spectrometry

Jungjoo Nam, Hyuksu Kwon, Inae Jang, Aeran Jeon, more

Journal of Mass Spectrometry > 50 > 2 > 378 - 387

We recently showed that free‐radical‐initiated peptide sequencing mass spectrometry (FRIPS MS) assisted by the remarkable thermochemical stability of (2,2,6,6‐tetramethyl‐piperidin‐1‐yl)oxyl (TEMPO) is another attractive radical‐driven peptide fragmentation MS tool. Facile homolytic cleavage of the bond between the benzylic carbon and the oxygen of the TEMPO moiety in o‐TEMPO–Bz–C(O)–peptide and the...

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Dissociation behavior of a bifunctional tempo‐active ester reagent for peptide structure analysis by free radical initiated peptide sequencing (FRIPS) mass spectrometry

Christian Ihling, Francesco Falvo, Isabel Kratochvil, Andrea Sinz, more

Journal of Mass Spectrometry > 50 > 2 > 396 - 406

We have synthesized a homobifunctional active ester cross‐linking reagent containing a TEMPO (2,2,6,6‐tetramethylpiperidine‐1‐oxy) moiety connected to a benzyl group (Bz), termed TEMPO‐Bz‐linker. The aim for designing this novel cross‐linker was to facilitate MS analysis of cross‐linked products by free radical initiated peptide sequencing (FRIPS). The TEMPO‐Bz‐linker was reacted with all 20 proteinogenic...

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Separation of glycosidic catiomers by TWIM‐MS using CO₂ as a drift gas

Giovana A. Bataglion, Gustavo Henrique Martins Ferreira Souza, Gabriel Heerdt, Nelson H. Morgon, more

Journal of Mass Spectrometry > 50 > 2 > 336 - 343

Traveling wave ion mobility mass spectrometry (TWIM‐MS) is shown to be able to separate and characterize several isomeric forms of diterpene glycosides stevioside (Stv) and rebaudioside A (RebA) that are cationized by Na⁺ and K⁺ at different sites. Determination and characterization of these coexisting isomeric species, herein termed catiomers, arising from cationization at different and highly competitive...

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Ambient ionization and direct identification of volatile organic compounds with microwave‐induced plasma mass spectrometry

Dandan Li, Yong‐Hui Tian, Zhongjun Zhao, Wenwen Li, more

Journal of Mass Spectrometry > 50 > 2 > 388 - 395

An innovative method of volatile organic compounds analysis by using microwave‐induced plasma ionization (MIPI) source in combination with an ambient ion trap mass spectrometer is presented here. Using MIPI for direct sample vapor, analysis was achieved without any sample preparation or subsequent heating. The relative abundance of the target compounds can be obtained almost instantly within a few...

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Determination of catecholamines and their metabolites in rat urine by ultra‐performance liquid chromatography–tandem mass spectrometry for the study of identifying potential markers for Alzheimer's disease

Chunxiao Lv, Qing Li, Xujia Liu, Bosai He, more

Journal of Mass Spectrometry > 50 > 2 > 354 - 363

In order to investigate the potential links between catecholamines (CAs) and Alzheimer's disease (AD), rapid and sensitive ultra‐performance liquid chromatography (UPLC)–tandem mass spectrometry (MS/MS) methods in different ionization modes for the quantification of 14 CAs and their metabolites in rat urine without derivatization or complex sample pre‐treatments were developed. After addition of the...

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Redox activity and multiple copper(I) coordination of 2His–2Cys oligopeptide

DongWon Choi, Aisha A. Alshahrani, Yashodharani Vytla, Manogna Deeconda, more

Journal of Mass Spectrometry > 50 > 2 > 316 - 325

Copper binding motifs with their molecular mechanisms of selective copper(I) recognition are essential molecules for acquiring copper ions, trafficking copper to specific locations and controlling the potentially damaging redox activities of copper in biochemical processes. The redox activity and multiple Cu(I) binding of an analog methanobactin peptide‐2 (amb₂) with the sequence acetyl–His₁–Cys₂–Tyr...

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Journal of Mass Spectrometry > 50 > 2 > i - i

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Collision induced dissociations of non‐derivatized and trimethylsilyl‐derivatized estradiols: similarities in fragmentation patterns

Yassin A. Jeilani, Huayang Li, Issifu I. Harruna, Khalid R. Alhooshani, more

Journal of Mass Spectrometry > 50 > 2 > 308 - 315

Fragmentation mechanisms of estradiol and trimethylsilyl (TMS)‐derivatized estradiol were studied by triple quadrupole tandem mass spectrometry (MSMS) and density functional theory (DFT) at B3LYP/6‐311G(d,p) level. Collision induced dissociations (CID) of estradiol give product ions that are associated with the cleavage of B, C and D rings. Characteristic fragments from the cleavage of the aromatic...

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Selective reagent ionisation‐time of flight‐mass spectrometry: a rapid technology for the novel analysis of blends of new psychoactive substances

Matteo Lanza, W. Joe Acton, Philipp Sulzer, Kostiantyn Breiev, more

Journal of Mass Spectrometry > 50 > 2 > 427 - 431

In this study we demonstrate the potential of selective reagent ionisation‐time of flight‐mass spectrometry for the rapid and selective identification of a popular new psychoactive substance blend called ‘synthacaine’, a mixture that is supposed to imitate the sensory and intoxicating effects of cocaine. Reactions with H₃O⁺ result in protonated parent molecules which can be tentatively assigned to...

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Cutting‐edge mass spectrometry characterization of originator, biosimilar and biobetter antibodies

A. Beck, F. Debaene, H. Diemer, E. Wagner‐Rousset, more

Journal of Mass Spectrometry > 50 > 2 > ii - ii

Antibodies represent a family of clinically relevant compounds with growing commercial potential. From a market perspective, their large size and structural complexity offers a natural protection against molecular duplication. However, copies of previously approved antibodies can be produced from different cell clones as biosimilars. Regulatory approval of biosimilar antibodies are based on comprehensive...

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Use of quadrupole time of flight mass spectrometry for the characterization of transformation products of the antibiotic sulfamethazine upon photocatalysis with Pd‐doped ceria‐ZnO nanocomposite

S. Rafqah, Zaki S. Seddigi, Saleh A. Ahmed, E. Danish, more

Journal of Mass Spectrometry > 50 > 2 > 298 - 307

The photocatalytic degradation of the antibiotic sulfamethazine under excitation at 365 nm of Pd‐doped ceria‐ZnO nanocomposite, titanium dioxide and iron(III) aqua complex was deeply studied from the analytical point of view. It reveals the formation of nine degradation products that were detected in their protonated forms using LC/electrospray ionization quadrupole time‐of‐flight MS in the positive...

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Competitive proton and hydride transfer reactions via ion‐neutral complexes: fragmentation of deprotonated benzyl N‐phenylcarbamates in mass spectrometry

Liqing Yao, Yunfeng Chai, Cuirong Sun, Yuanjiang Pan

Journal of Mass Spectrometry > 50 > 2 > 364 - 370

The gas‐phase chemistry of deprotonated benzyl N‐phenylcarbamates was investigated by electrospray ionization tandem mass spectrometry. Characteristic losses of a substituted phenylcarbinol and a benzaldehyde from the precursor ion were proposed to be derived from an ion‐neutral complex (INC)‐mediated competitive proton and hydride transfer reactions. The intermediacy of the INC consisting of a substituted...

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Comparison of MALDI‐TOF mass spectra with microsatellite length polymorphisms in Candida albicans

C. Dhieb, A. C. Normand, C. L'Ollivier, M. Gautier, more

Journal of Mass Spectrometry > 50 > 2 > 371 - 377

Candida albicans is the most frequent yeast involved in human infections. Its population structure can be divided into several genetic clades, some of which have been associated with antifungal susceptibility. Therefore, detecting and monitoring fungal clones in a routine laboratory setting would be a major epidemiological advance. Matrix‐assisted laser desorption/ionization time‐of‐flight (MALDI‐TOF)...

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Cutting‐edge mass spectrometry characterization of originator, biosimilar and biobetter antibodies

Alain Beck, François Debaene, Hélène Diemer, Elsa Wagner‐Rousset, more

Journal of Mass Spectrometry > 50 > 2 > 285 - 297

The approval process for antibody biosimilars relies primarily on comprehensive analytical data to establish comparability and high similarity with the originator. Mass spectrometry (MS) in combination with liquid chromatography (LC) and electrophoretic methods are the corner stone for comparability and biosimilarity evaluation. In this special feature we report head‐to‐head comparison of trastuzumab...

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Strategies for generating peptide radical cations via ion/ion reactions

Joshua D. Gilbert, Christine M. Fisher, Jiexun Bu, Boone M. Prentice, more

Journal of Mass Spectrometry > 50 > 2 > 418 - 426

Several approaches for the generation of peptide radical cations using ion/ion reactions coupled with either collision induced dissociation (CID) or ultraviolet photo dissociation (UVPD) are described here. Ion/ion reactions are used to generate electrostatic or covalent complexes comprised of a peptide and a radical reagent. The radical site of the reagent can be generated multiple ways. Reagents...

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Studies on the collision‐induced dissociation of adipoR agonists after electrospray ionization and their implementation in sports drug testing

Josef Dib, Nils Schlörer, Wilhelm Schänzer, Mario Thevis

Journal of Mass Spectrometry > 50 > 2 > 407 - 417

AdipoR agonists are small, orally active molecules capable of mimicking the protein adiponectin, which represents an adipokine with antidiabetic and antiatherogenic effects. Two adiponectin receptors were reported in the literature referred to as adipoR1 and adipoR2. Activation of these receptors stimulates mitochondrial biogenesis and results in an improved oxidative metabolism (via adipoR1) and...