International Journal of Mass Spectrometry最新文献

{"title":"Spatial mapping of phosphatidylcholine sn-positional isomers using CID of divalent metal complexes in imaging mass spectrometry","authors":"Tingting Yan ,&nbsp;Zunaira Naeem ,&nbsp;Zhongling Liang ,&nbsp;Hassan Azari ,&nbsp;Brent A. Reynolds ,&nbsp;Boone M. Prentice","doi":"10.1016/j.ijms.2024.117370","DOIUrl":"10.1016/j.ijms.2024.117370","url":null,"abstract":"<div><div>Phosphatidylcholines (PCs) are the main components of cellular membranes. The high degree of structural heterogeneity leads to significant variations in PC functions and complicates structural characterization. For example, the complex mixtures of lipid structures create challenges when analyzing and identifying these compounds directly from tissue in matrix-assisted laser desorption/ionization (MALDI) imaging mass spectrometry experiments. Phosphatidylcholine (PCs) are preferentially ionized in the positive ion mode in MALDI imaging mass spectrometry. However, low-energy collision induced dissociation (CID) of protonated PCs largely only results in cleavages of the phosphocholine headgroup, with little to no information obtained about the fatty acyl chain identities and positions. Alternatively, metal cationization of lipids is known to generate increased structural information upon CID, but metal coordination has been less studied. Herein, we highlight the use of divalent metal-ligand complexes to produce new ion types for CID analysis in MALDI imaging mass spectrometry. CID of the new [PC + M + ligand]⁺ ion type (where M is a divalent metal) eliminates the headgroup loss fragmentation channel and opens new fragmentation channels at the fatty acyl chain positions. The gas-phase fragmentation behavior of [PC + M + ligand]⁺ ion type is characterized using multiple divalent metals and ligands. The fatty acyl chain product ions are then used to relatively quantify <em>sn</em>-positional isomers. Furthermore, this method is integrated into an imaging mass spectrometry workflow to enable the spatial mapping of PC <em>sn-</em>positional isomers in rat brain and glioblastoma tissues, revealing differential distributions of the <em>sn</em>-positional isomers.</div></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"508 ","pages":"Article 117370"},"PeriodicalIF":1.6,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143135479","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Relativistic effects in the gas-phase molecular hydration of heavy atomic transition metal cations (Groups 10–12): Group variations in energetics and kinetics","authors":"Voislav Blagojevic ,&nbsp;Diethard K. Böhme","doi":"10.1016/j.ijms.2024.117371","DOIUrl":"10.1016/j.ijms.2024.117371","url":null,"abstract":"<div><div>We assess relativistic effects in the molecular hydration of late atomic transition metal cations (Groups 10–12) as revealed by a review of previously published experimental and theoretical hydration energies and by kinetic measurements at room temperature. To fill gaps in theoretical hydration energies, we report here newly computed hydration energies, with and without relativistic effects, for all 9 atomic transition metal ions in the three Groups using DFT and RI-MP2 theory. Rate coefficients are taken from previous work in our laboratory and we provide here, for the first time, the raw experimental data for the kinetics of all 9 hydration reactions. Trends in hydration energies and hydration kinetics are inspected and compared going down the Periodic Table. We find a strong 3rd-row enhancements in the hydration energy and the rate of hydration and these are attributed to relativistic contributions to the bonding of H₂O to the 3rd-row transition metal cations. This behaviour is very much in line with that reported earlier with other molecular ligands.</div></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"508 ","pages":"Article 117371"},"PeriodicalIF":1.6,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143135480","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Infrared multiple photon dissociation spectroscopy of protonated amino acid clusters with non-interacting side chains in the gas phase","authors":"Jongcheol Seo ,&nbsp;Doui Kim ,&nbsp;Sandy Gewinner ,&nbsp;Wieland Schöllkopf ,&nbsp;Michael T. Bowers ,&nbsp;Kevin Pagel ,&nbsp;Gert von Helden","doi":"10.1016/j.ijms.2024.117394","DOIUrl":"10.1016/j.ijms.2024.117394","url":null,"abstract":"<div><div>We report on gas-phase aggregation and structural characteristics of protonated amino acid clusters investigated by ion mobility spectrometry-mass spectrometry (IMS-MS) and infrared multiple photon dissociation (IRMPD) spectroscopy. Amino acids, including valine, isoleucine, phenylalanine, tyrosine, and tryptophan, were studied to understand the formation and stabilization mechanisms of their clusters. The mass spectra reveal the formation of clusters, primarily as zwitterionic assemblies stabilized by extensive hydrogen-bond networks between protonated amine and deprotonated carboxylate groups. IRMPD spectra in the 1000–1900 cm⁻¹ region highlight distinctive vibrational features, indicating the presence of zwitterionic structures for clusters larger than octamers. Theoretical calculations support these findings, revealing a transition from non-zwitterionic to zwitterionic with increasing cluster size. Additionally, the charge state distribution analysis indicates that the cluster charge states correlate with their accessible surface area, supporting the applicability of the charged residue model (CRM) for their formation. These results offer valuable insights into the forces governing amino acid cluster assembly and highlight their potential as nanoscale models for studying biomolecular interactions.</div></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"508 ","pages":"Article 117394"},"PeriodicalIF":1.6,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143135566","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Multi-reflecting TOF MS for analyzing proteins","authors":"Anatoly N. Verenchikov (Prof),&nbsp;Sergey N. Kirillov (Dr.),&nbsp;Aleksey V. Vorobyev (Dr.),&nbsp;Vasily V. Makarov (Dr.)","doi":"10.1016/j.ijms.2024.117389","DOIUrl":"10.1016/j.ijms.2024.117389","url":null,"abstract":"<div><div>This paper presents detailed results of previously reported protein studies conducted using a prototype multi-reflecting time-of-flight mass spectrometer with orthogonal acceleration (o-MRT). The o-MRT instrument features a relatively short 5-m effective flight path to minimize gas scattering of protein ions. Despite this, the instrument achieves an impressive mass resolving power exceeding 200,000, fully resolving isotopic envelopes for proteins up to 80 kDa. For multiply charged ions of mid-sized proteins (up to 30 kDa), the instrument's resolution surpasses 250,000, enabling efficient charge and isotope deconvolution. This process consolidates multiple peaks from a specific proteoform into a single molecular weight peak, significantly simplifying protein spectra and facilitating accurate mass measurements. Mass analysis of horse myoglobin demonstrates exceptional mass precision, achieving 100 ppb accuracy for the monoisotopic mass. The o-MRT instrument exhibits a sensitivity of 10⁴ ions/fmol, allowing for the detection of horse myoglobin from 100 pM to 10 μM concentration range. It accurately identifies known proteoforms in exemplar mixtures of seven proteins without chromatography, demonstrating a dynamic range of 1000. The o-MRT instrument showcases versatility in MS/MS analysis, achieving over 80 % sequence coverage for proteoforms. In MS/MS analyses of horse myoglobin and human hemoglobin chain A, mass accuracy of 0.5 ppm is maintained over a dynamic range of 1000. With future coupling to liquid chromatography, the compact o-MRT instrument is expected to be a valuable tool for identifying proteins within moderately complex mixtures.</div></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"508 ","pages":"Article 117389"},"PeriodicalIF":1.6,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143135562","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dehydrogenation of formic acid by first-row transition-metal/crown ether complexes studied by mass spectrometry and theoretical calculations","authors":"Anthony Fanizza ,&nbsp;Nicholas Bollis ,&nbsp;Jason Ware ,&nbsp;Eugenijus Urnezius ,&nbsp;Elettra L. Piacentino ,&nbsp;Thomas M. Gilbert ,&nbsp;Victor Ryzhov","doi":"10.1016/j.ijms.2024.117391","DOIUrl":"10.1016/j.ijms.2024.117391","url":null,"abstract":"<div><div>We have investigated ternary cationic complexes of several first-row transition metals M²⁺ (M = Mn, Fe, Co, Ni, Cu and Zn) with three crown ethers L (where L = 12-crown-4, 15-crown-5, and 18-crown-6) with the goal of hydrogen production from formic acid. The ions of the general formula [LM(OOCH)]⁺ can be easily formed by electrospray ionization and decarboxylated in the gas phase via collision-induced dissociation (CID) with virtually no side reactions to form the corresponding hydride complexes [LMH]⁺. These hydride complexes were reacted with the neutral formic acid via a gas-phase ion-molecule reaction in the linear quadrupole ion trap which resulted in the production of the molecular hydrogen and re-formation of the initial [LM(OOCH)]⁺ ion. Thus, the process represented a formal catalytic cycle with the overall equation HCOOH = H₂+ CO₂. The experimental collision efficiencies of these reactions for 12-crown-4 complexes ranged from 0.2 % (Zn) to 100 %(Co) and followed the trend Co ≥ Ni ≥ Mn &gt; Fe &gt; Cu ≫ Zn. These results correlate very well with the theoretical DFT calculations for the transition state energies (barriers). Additional theoretical calculations looked at the structure of the complexes for the explanation of the observed trends. It was shown for Zn complexes that bigger crowns, especially 18-crown-6, can be significantly distorted resulting in one of O-Zn bonds being significantly shorter than the others. The work shows that crown ethers can serve as effective, flexible ligands for dehydrogenation of formic acid by first-row transition metal ions.</div></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"508 ","pages":"Article 117391"},"PeriodicalIF":1.6,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143135929","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A boundary condition decoupled steady-state equivalent model for the simulation of FAIMS ion optical path","authors":"Jianhui Ji ,&nbsp;Shaomin Liu ,&nbsp;Han Wang ,&nbsp;Youjiang Liu ,&nbsp;Mengchao Jin ,&nbsp;Jie Sheng ,&nbsp;Shenglai Zhen ,&nbsp;Chilai Chen","doi":"10.1016/j.ijms.2024.117387","DOIUrl":"10.1016/j.ijms.2024.117387","url":null,"abstract":"<div><div>This paper proposed a boundary condition decoupled steady-state equivalent model (BCD-SSE Model) for high-field asymmetric waveform ion mobility spectrometry (FAIMS) ion optical path simulation, which successfully incorporated ion diffusion loss and oscillatory loss (dispersion voltage) into the steady-state simulation without altering the actual flow field distribution. The accuracy and efficiency of the model were verified by studying the effects of different dispersion voltage amplitudes, frequencies, duty cycles, and carrier gas flow rates on spectral peak characteristics (position, height, and width). The experimental results show that the spectrum generated by the BCD-SSE Model was in good agreement with the existing general FAIMS simulation model (SIMION/SDS Model). Additionally, the precision of the peak height and full width at half maximum (FWHM) in the FAIMS spectrum using the BCD-SSE Model is 10 times and 3 times greater than that of the traditional steady-state model (SS Model), respectively. Most importantly, compared to the SIMION/SDS Model, the BCD-SSE Model reduced the simulation time from the scale of hundreds of minutes to mere minutes, and it resolved the issue of instability in the simulation results encountered with the SIMION/SDS Model. The proposed method resolved the conflict between simulation accuracy and time consumption, provided a fast and accurate steady-state equivalent simulation method for the analysis of FAIMS ion transport processes and the optimization of ion optical path design.</div></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"508 ","pages":"Article 117387"},"PeriodicalIF":1.6,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143135478","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Parametric optimization of the liquid sampling-atmospheric pressure glow discharge ionization source coupled to an Orbitrap mass spectrometer for neodymium isotope ratio determinations","authors":"Suraj Shrestha ,&nbsp;Joseph V. Goodwin ,&nbsp;Benjamin T. Manard ,&nbsp;R. Kenneth Marcus","doi":"10.1016/j.ijms.2024.117385","DOIUrl":"10.1016/j.ijms.2024.117385","url":null,"abstract":"<div><div>Isotope ratio determinations are a valuable tool in several application areas. In nuclear forensics, the isotope ratios of uranium and plutonium are commonly used as a signature for the nuclear material's provenance and processing history. However, signatures from other coexisting elements, such as neodymium and samarium, can offer additional insights. The liquid sampling-atmospheric pressure glow discharge (LS-APGD) ionization source coupled to an Orbitrap mass spectrometer (MS) has demonstrated its utility for actinide measurements. This instrumental platform can leverage the high resolution offered by the Orbitrap MS to overcome potential isobaric interferences, such as ¹⁴⁴Nd-¹⁴⁴Sm, ¹⁴⁸Nd-¹⁴⁸Sm, and ¹⁵⁰Nd-¹⁵⁰Sm pairs. The work presented herein demonstrates the rapid, accurate, and precise determination of the isotope ratios for neodymium using the LS-APGD/Orbitrap MS. Both the LS-APGD and Orbitrap MS parameters were optimized systematically, with NdO⁺ found to be the most abundant, most reduced species after applying the optimal collision-induced dissociation modalities. A limit of detection of 3 pg of ¹⁴²Nd was achieved when data was acquired and processed using the FTMS Booster, an external data acquisition and processing system offered by Spectroswiss. Excellent accuracy of better than 99 % and precision of &lt;1 % RSD were achieved when a solution of the well-characterized neodymium standard (JNdi-1 standard) was analyzed under the optimized condition, indicating the LS-APGD/Orbitrap's great potential for isotope ratio analysis of Nd and other REEs for diverse applications.</div></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"508 ","pages":"Article 117385"},"PeriodicalIF":1.6,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143135482","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Rectification of kinematic parameters of dissociative ionization derived from ion momentum spectra","authors":"Akash Srivastav,&nbsp;Vishnu P,&nbsp;Bhas Bapat","doi":"10.1016/j.ijms.2024.117392","DOIUrl":"10.1016/j.ijms.2024.117392","url":null,"abstract":"<div><div>Ion momentum spectrometers, which are commonly used devices for studying molecular dissociation, are lossy devices in that not all charged fragments are assuredly detected. Combined with the fact that neutrals are always undetected, this can result in a mixing of distinct dissociation channels. A dissociation event with all charged fragments may mimic an event where at least one fragment is neutral. As a result, an analysis of the dissociation channels identified using an ion pair coincidence map may result in misleading interpretations, especially when analyzing channels with both charged and neutral fragments. In this study, we present a method to rectify the distributions of kinematic parameters for such cases. The rectification method is discussed in the context of the (O<span><math><msup><mrow></mrow><mrow><mo>+</mo></mrow></msup></math></span>, C<span><math><msup><mrow></mrow><mrow><mo>+</mo></mrow></msup></math></span>, O) breakup channel of the CO<span><math><msubsup><mrow></mrow><mrow><mn>2</mn></mrow><mrow><mn>2</mn><mo>+</mo></mrow></msubsup></math></span> molecular ion. The distribution of the kinematic parameters after rectification exhibit stark differences from the raw distributions, emphasizing the need for rectification. A comparison of the rectified data with cases in the literature where such losses are estimated to be negligible, underline the efficacy of the method.</div></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"508 ","pages":"Article 117392"},"PeriodicalIF":1.6,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143135567","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Development of an optimised method for the analysis of human blood plasma samples by atmospheric solids analysis probe mass spectrometry","authors":"Annabel S.J. Eardley-Brunt ,&nbsp;Anna Jones ,&nbsp;Thomas Mills ,&nbsp;Liwen Song ,&nbsp;Rafail Kotronias ,&nbsp;Pierfrancesco Lapolla ,&nbsp;Oxford Acute Myocardial Infarction (OxAMI) Study ,&nbsp;Oxford Abdominal Aortic Aneurysm (OxAAA) Study ,&nbsp;Ashok Handa ,&nbsp;Regent Lee ,&nbsp;Keith Channon ,&nbsp;Giovanni Luigi de Maria ,&nbsp;Claire Vallance","doi":"10.1016/j.ijms.2024.117386","DOIUrl":"10.1016/j.ijms.2024.117386","url":null,"abstract":"<div><div>Analysis of small-molecule metabolites in plasma has the potential for development as a clinical diagnostic and prognostic tool. Atmospheric solids analysis probe mass spectrometry (ASAP-MS) is capable of performing rapid metabolite and small molecule fingerprinting, and has the potential for use in a clinical setting. Combining ASAP-MS data with a predictive model could provide clinicians with a rapid patient risk metric, anticipating disease progression and response to treatment, and thereby aiding in treatment decisions. In order to develop predictive models, experimental errors and uncertainties must be minimised, requiring a robust experimental protocol. In the present study we have performed ASAP-MS measurements on plasma samples from patients recruited for two prospective clinical studies: the Oxford Acute Myocardial Infarction (OxAMI) study; and the Oxford Abdominal Aortic Aneurysm (OxAAA) study. Through a carefully designed series of measurements, we have optimised the method of sample introduction, together with a number of key instrument and data acquisition parameters. Following the optimisation process, we are consistently able to record high quality mass spectra for plasma samples. Typical coefficients of variation for individual mass peaks are in the range from 20%–50%, overlapping with those obtained using more sophisticated LC-MS approaches. The measurement protocol optimises mass spectral quality and reproducibility, while retaining the simplicity of measurement required for use in a clinical setting. While the protocol was developed using plasma samples from two specific patient cohorts, the method can be generalised to any plasma measurements.</div></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"508 ","pages":"Article 117386"},"PeriodicalIF":1.6,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143135483","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Multi reflecting TOF MS approaching resolution of 1,000,000 in a wide mass range","authors":"Anatoly N. Verenchikov ,&nbsp;Sergey N. Kirillov ,&nbsp;Aleksey V. Vorobyev ,&nbsp;Vasily V. Makarov ,&nbsp;Mikhail I. Yavor ,&nbsp;Robert P. Tonge ,&nbsp;James I. Langridge","doi":"10.1016/j.ijms.2024.117395","DOIUrl":"10.1016/j.ijms.2024.117395","url":null,"abstract":"<div><div>Time-of-flight mass spectrometry (TOFMS) is a cornerstone of analytical chemistry, renowned for its exceptional combination of speed, sensitivity, resolution, and mass accuracy. Multi-reflecting TOFMS (MRT) instruments significantly enhance TOFMS resolution by repeatedly folding and extending the ion trajectory. Historically, MRT instruments have achieved resolutions of up to 200,000 across a wide mass range. While higher resolutions (reaching 1 million) have been demonstrated in trajectory looping configurations, these are associated with a narrower mass range that shrinks inversely with the number of loops. This research presents an advanced MRT instrument that overcomes these limitations by achieving both a resolving power of approximately 1 million (R ≈ 1,000,000) and a wide mass range, not limited by the analyzer design. This was achieved through numerous instrumental enhancements, and primarily by extending the flight path to approximately 100 m, corresponding to a flight time of 2.55 ms for <em>m/z</em> = 1000 Th ions. Prolonged flight times inevitably reduce the duty cycle of the orthogonal accelerator. In one practical acquisition method, encoded frequent pulsing (EFP) at an average pulsing rate of 50 kHz, recovered the OA duty cycle to 10 %. This enabled the instrument to record high-resolution MS/MS spectra at a rate of 10 Hz and identifying peptides in a concentration range of 10⁻⁸ to 10⁻⁴ M, enabling high-throughput MS/MS analysis. At higher sample concentrations, the instrument is sensitive to space charge effects within the analyzer, which start affecting resolution as early as 20 ions per packet. At 50 kHz EFP method, this limit corresponds to 10⁶ ion/peak/s and allows ion fluxes up to 10⁸ ion/s in the case of complex spectra containing numerous peaks. The major part of this publication is focused on characterizing the ultimate performance of the prototype MRT. To minimize spectral artifacts, most characterization experiments were conducted using a rare pulsing method (push and wait) at a pulsing rate of 500 Hz. Extended spectral acquisition times allowed for the accumulation of sufficient ion statistics, enabling the exploration of fine details within MS/MS spectra of peptides. The achieved standard deviation of mass accuracy was approximately 100 ppb over a dynamic range of 10⁵. This research comprehensively characterizes the high-resolution MRT instrument, focusing on its capabilities and limitations. While analytical applications are not discussed in this paper, the presented data provides a solid foundation for understanding the instrument's potential.</div></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"508 ","pages":"Article 117395"},"PeriodicalIF":1.6,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143135926","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}