Journal of Mass Spectrometry最新文献

{"title":"Analytical Method Development and Validation for Clofazimine in Human Plasma and Application of LC–MS/MS Based Methods for Clofazimine and Bedaquiline in Indian MDR-TB Patients Stratified by HIV Coinfection","authors":"Rohan V. Lokhande,&nbsp;Prerna R. Arora,&nbsp;Ganesh R. Bhagure,&nbsp;Anton Joubert,&nbsp;Zarir F. Udwadia,&nbsp;Camilla Rodrigues,&nbsp;Amita Gupta,&nbsp;Vidya Mave,&nbsp;Priyanka Raichur,&nbsp;Sanjay Gaikwad,&nbsp;Rifa Khan,&nbsp;Amrose Pradeep,&nbsp;Lubbe Wiesner,&nbsp;Jeffrey A. Tornheim,&nbsp;C. Robert Horsburgh,&nbsp;Tester F. Ashavaid,&nbsp;for the MDR-TB MUKT and RePORT India Team, Indo-South Africa Study Team and PREEMPT Study Teams","doi":"10.1002/jms.70093","DOIUrl":"https://doi.org/10.1002/jms.70093","url":null,"abstract":"<div>\u0000 \u0000 <p>Multidrug-resistant tuberculosis (MDR-TB) remains a major cause of morbidity and mortality worldwide, with people living with HIV experiencing persistently poor treatment outcomes. Clofazimine and bedaquiline are cornerstone drugs in contemporary all-oral MDR-TB regimens, yet their complex pharmacokinetics and substantial interindividual variability complicate regimen optimisation, particularly in vulnerable populations. Robust plasma-based drug quantification is essential to characterise exposure–response relationships and inform individualised therapy. We developed and validated a rapid, sensitive and specific liquid chromatography–tandem mass spectrometry assay for quantifying these drugs in human plasma. The methods were successfully applied on plasma samples from study participants with MDR-TB with or without HIV coinfection who received clofazimine and bedaquiline as part of MDR-TB therapy assessing the Cmax, Tmax and AUC in both groups. The method addresses key analytical challenges posed by clofazimine's extreme lipophilicity and reliably quantifies concentrations across a broad, clinically relevant range, including potentially toxic exposures. Linearity was obtained between 0.0313 to 4.0 mg/L, and the method met bioanalytical method validation criteria along with interlab comparison with a reference laboratory, all within acceptable limits. We observed significantly lower Cmax concentrations of both drugs among HIV-infected participants compared to HIV-uninfected participants (<i>p</i> = 0.011 for clofazimine and <i>p</i> = 0.02 for bedaquiline), highlighting the need for therapeutic drug monitoring in this vulnerable group. This work provides a robust analytical foundation for pharmacokinetic, therapeutic drug monitoring and exposure–response studies of key MDR-TB drugs and supports efforts to optimise treatment outcomes, especially among people living with HIV.</p>\u0000 </div>","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 8","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148616575","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":"The ELVIS Probe: Combining Laser Pointer Desorption, Venturi-Assisted Plume Transport, and Electrospray Ionization in a Simple Handheld Tool for Remote Ambient Mass Spectrometry","authors":"Andrea Ferreira Machado,&nbsp;Marcos Fernando Franco,&nbsp;Jorge Jardim Zacca,&nbsp;Deleon Nascimento Correa,&nbsp;Marco-Aurélio De Paoli,&nbsp;Clécio Fernando Klitzke,&nbsp;Marcos N. Eberlin","doi":"10.1002/jms.70085","DOIUrl":"10.1002/jms.70085","url":null,"abstract":"<div>\u0000 \u0000 <p>Here we introduce the Electrospray Laser Venturi Ionization Sampling (ELVIS) probe, a handheld ambient sampling device that combines desorption performed by a simple laser pointer with Venturi-assisted plume transport for remote mass spectrometric analysis. The ELVIS probe is portable, inexpensive, easy to operate and to point to a target area and exhibits no detectable carryovers. The probe can also be readily coupled to most atmospheric-pressure ionization sources, as demonstrated herein for electrospray ionization (ESI). The ELVIS probe employs Venturi pumping to provide efficient and controllable aspiration of the laser-generated plume. This mechanism transports analyte vapors directly to the ion source, substantially reducing signal dispersion that commonly occurs during open-air sampling or when carrier gases are used. Desorption is achieved using a compact, low-cost, yet highly effective 0.5 W laser pointer, enabling the sampling of a wide range of analytes from diverse matrices. Notably, the ELVIS probe is particularly advantageous for sampling target analytes deeply embedded within complex matrices, where spray-based or liquid-extraction ambient MS techniques often fail. For proper ionization, the probe was coupled to a commercial ESI source and successfully applied to the detection of illicit drugs, plasticizers in PVC, caffeine directly from a coffee bean, and pesticide residues on the wings of a deceased honeybee. The advantageous coupling of the ELVIS probe with Venturi-assisted easy ambient sonic-spray ionization is also discussed.</p>\u0000 </div>","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 8","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148604149","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":"Monitoring the Effect of Tributyltin Salicylate and Propionate, Retinoid X Receptor Ligands, on Heat Shock Protein Expression in MDA-MB-231 Cells by MALDI MS/MS","authors":"Dana Strouhalova,&nbsp;Dana Macejova,&nbsp;Julius Brtko,&nbsp;Janette Bobalova","doi":"10.1002/jms.70090","DOIUrl":"10.1002/jms.70090","url":null,"abstract":"<p>Organotin (IV) compounds are known to induce apoptosis via the intrinsic mitochondrial pathway, which is a key mechanism of effective anticancer therapy. Their ability to selectively promote apoptotic cell death highlights their potential as chemotherapeutic agents. In this study, the in vitro effects of two triorganotin compounds, tributyltin propionate and tributyltin salicylate, on the human breast cancer cell line MDA-MB-231 were evaluated. In addition to their proven antitumor activity, these compounds may act as synthetic ligands for nuclear retinoid X receptors. Protein expression profiles were examined using gel electrophoresis and MALDI-TOF mass spectrometry, with a particular focus on heat shock proteins (HSPs), which are commonly overexpressed in cancer cells and contribute to tumor progression and therapeutic resistance. Both triorganotin derivatives significantly reduced HSP expression, suggesting that HSPs could be a promising target in cancer therapy.</p>","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 8","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13401854/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148592174","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":"Application of 2D-Chromatography System for the Determination of Cosmetic Peptides in Skin Homogenates","authors":"Fosca Errante,&nbsp;Marco Pallecchi,&nbsp;Marta Menicatti,&nbsp;Lisa Giovannelli,&nbsp;Paolo Rovero,&nbsp;Gianluca Bartolucci","doi":"10.1002/jms.70094","DOIUrl":"10.1002/jms.70094","url":null,"abstract":"<p>Peptides are increasingly employed as active ingredients in both therapeutic and cosmeceutical applications due to their high biological specificity, favorable safety profiles, and expanding market relevance. In topical formulations, peptide activity is typically confined to the skin, where widespread dermal proteases may significantly affect their stability and efficacy. Despite the growing use of bioactive peptides in dermatological and cosmeceutical products, robust analytical methodologies for assessing their susceptibility to dermal enzymatic degradation remain limited. In this study, a two-dimensional HPLC–MS/MS (2D-HPLC–MS/MS) method based on ion trap detection was developed and validated for the quantitative evaluation of peptide stability in human skin homogenate (HSH). The analytical setup integrates online cleanup with chromatographic separation on a silica-based pentafluorophenyl (PFP) column, enabling reliable analysis of peptides with different polarity profiles within a single workflow. The system enables direct injection of sample solutions with relatively high organic solvent content, allowing limited sample dilution and preservation of analytical sensitivity. A key feature of the method is the use of isomeric peptide analogues as internal standards, monitored under identical MS/MS conditions as their corresponding analytes. This approach provides effective correction for ionization and fragmentation variability while offering a practical alternative to stable isotope-labelled standards. The ion trap mass analyzer ensured controlled and reproducible fragmentation behavior, supporting robust quantitative performance. The developed method demonstrated satisfactory linearity, sensitivity, precision, accuracy, and minimal matrix effects. Application to stability studies of three peptides with distinct polarity profiles confirmed its suitability for monitoring degradation kinetics in HSH. Overall, this 2D-HPLC–MS/MS strategy provides a versatile analytical platform for dermal peptide stability assessment and supports early-stage screening and preclinical studies of bioactive peptides intended for topical applications.</p>","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 8","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13395628/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148579040","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":"High-Throughput Equine Plasma Profiling Using Laser-Assisted Rapid Evaporative Ionisation Mass Spectrometry","authors":"Adrienn Molnár,&nbsp;Matevž Arko,&nbsp;Kaja Troha,&nbsp;András Marton,&nbsp;Boglárka Tauber,&nbsp;Aleš Iglič,&nbsp;György Tibor Balogh,&nbsp;Júlia Balog,&nbsp;Matej Hočevar,&nbsp;Vesna Kadunc Kos,&nbsp;Saba Battelino,&nbsp;Veronika Kralj-Iglič,&nbsp;Gitta Schlosser","doi":"10.1002/jms.70077","DOIUrl":"10.1002/jms.70077","url":null,"abstract":"<p>Remnants of erythrocyte removal from blood constitute therapeutic plasma—a water-based solution containing mainly platelets, extracellular vesicles (EVs), protein and lipid complexes and ions. Plasma-based therapies, including their use to accelerate wound healing in human and animal patients, are increasingly gaining prominence in regenerative medicine; however, methods for the optimal preparation of individual plasma are still under development. Rapid and accurate analysis of plasma composition is essential for the development of therapeutic applications and for ensuring the quality of plasma products before patient administration. This study of equine plasma presents a novel approach that utilises a newly developed automated well-plate sampling system using laser-assisted rapid evaporative ionisation mass spectrometry (LA-REIMS) for rapid plasma profiling under varying sample preparation conditions. This platform provided comprehensive lipidomic and metabolic analyses that gave insights into the molecular composition of plasma within seconds and without extensive sample preparation. The results indicated that specific phosphatidylcholines (PC(34:2), PC(36:2), PC(36:3)) and fatty acids were sensitive to centrifugation parameters, suggesting their potential as indicators of plasma stability and quality. The results were compared with the platelet and EV content of the plasma. The number density (<i>n</i>) of platelets and cellular fragments (P2 particles) was determined by flow cytometry (FCM), whereas EVs were characterised by interferometric light microscopy (ILM). The samples were imaged by scanning electron microscopy (SEM). A clear correlation was observed between <i>n</i> of P2 particles (but not of EVs) and lipid profiles, suggesting platelets' critical role in plasma composition. These findings emphasise the potential of the LA-REIMS platform for high-throughput, rapid plasma analysis, quality control and diagnostics. The system's ability to quickly assess plasma quality highlights its practical use in validating plasma prior to therapeutic applications.</p>","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 8","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13393337/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148562264","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":"Zero-Potential No-Discharge APCI Combined With pH and Colorimetric Measurements Reveals a Protein-Dependent Change in Albumin Proton Affinity Under Quantum-Dot Patch Exposure","authors":"Mauro Libertucci,&nbsp;Dario Maximilian Spera,&nbsp;Germano Orrù","doi":"10.1002/jms.70091","DOIUrl":"10.1002/jms.70091","url":null,"abstract":"<div>\u0000 \u0000 <p>The interaction between solvent, solute and physical phenomena (e.g., photon-emitting biomolecules) constitute one of the most fundamental, yet challenging, frontiers in modern biophysics and analytical chemistry. However, standard mass spectrometry instrumentation is often insufficient to yield useful data in this domain due to the solvent molecule bind alteration induced by high electric field presents in the usually employed ionization sources (e.g., Electrospray and Atmospheric Pressure Chemical Ionization). The challenge is to transport analyte ions from the condensed liquid phase into the high-vacuum gas phase of the mass analyzer with minimal voltages-induced loss of supramolecular structure or structural scrambling while preserving the solvent environment structure. In this work, we employed no-discharge ND-APCI that has been rigorously validated in regulatory environments operating in no voltage ionization conditions to investigate the interaction of Albumin and water molecule environment under the irradiation of photon emitted by means of quantum dots technology at different simultaneous wave lights (800 nm, 525 nm, 445 nm). The obtained results, in terms of albumin–solvent (water) interaction, are consistent with a protein-dependent change in the proton affinity of albumin and are corroborated by complementary pH and colorimetric (Coomassie) measurements; their possible mechanistic origin is discussed.</p>\u0000 </div>","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 8","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148520443","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":"Green and Rapid Determination of Phthalates in Mineral Water From Virgin and Recycled PET Bottles","authors":"Claudia Lino,&nbsp;Serena Indelicato,&nbsp;David Bongiorno,&nbsp;Fabio D'Agostino,&nbsp;Giuseppe Avellone","doi":"10.1002/jms.70089","DOIUrl":"10.1002/jms.70089","url":null,"abstract":"<p>This study investigates the presence and quantification of phthalates released into mineral waters from virgin and recycled polyethylene terephthalate (PET) bottles. A green, solvent-free analytical method based on solid-phase microextraction (SPME) coupled with gas chromatography–mass spectrometry (GC/MS) was developed and validated to detect the following four target phthalates: diethyl phthalate (DEP), diisobutyl phthalate (DiBP), dibutyl phthalate (DBP), and bis(2-ethylhexyl) phthalate (DEHP). The analytical method showed good sensitivity, precision, accuracy, and low limits of detection and quantification. Seventeen commercial water samples were analyzed, including 11 from virgin PET and six from recycled PET bottles with varying recycling content (30%–100%). Phthalate concentrations ranged from 2.21 to 18.96 μg/L, with DEHP being the most prevalent compound. Risk assessment following EFSA guidelines demonstrated that the estimated daily intakes (DIs) and the risk quotient (RQ) of all detected phthalates were well below the tolerable DI limits for both adults and toddlers. These findings confirm that the proposed method is suitable for routine screening of phthalates in mineral water and highlight the need for stricter quality controls in the recycled PET supply chain.</p>","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 8","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jms.70089","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148471209","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":"A Metrologically Traceable Candidate Reference Measurement Procedure (cRMP) for Dehydroepiandrosterone Sulfate in Human Serum Based on Isotope Dilution-Liquid Chromatography–Tandem Mass Spectrometry (ID-LC–MS/MS)","authors":"Liping Yang,&nbsp;Bingling Gao,&nbsp;Tao Yang,&nbsp;Liping Tang,&nbsp;Ying Kan,&nbsp;Keqi Sun,&nbsp;Peng Xiao","doi":"10.1002/jms.70088","DOIUrl":"10.1002/jms.70088","url":null,"abstract":"<div>\u0000 \u0000 <p>Dehydroepiandrosterone sulfate (DHEAS), a crucial steroid hormone for adrenal function and pubertal development, is highly associated with related diseases. This study aims to develop and validate an isotope dilution liquid chromatography tandem mass spectrometry (ID-LC–MS/MS)-based candidate reference measurement procedure (cRMP) for quantifying serum DHEAS. Serum samples were prepared by protein precipitation with acetonitrile and separated on a reversed phase column. Assay validation was conducted under the guidance of standard documents, including C62-A, EP6-A, EP10-A3, and C50-P endorsed by the Clinical and Laboratory Standards Institute (CLSI). The cRMP was established and proven to be highly specific without significant matrix effect and able to accurately quantify DHEAS in human serum. The intra-assay and inter-assay imprecision ranged from &lt; 0.1 to 1.0% and from 1.0 to 1.1%, respectively. Trueness was assessed by recovery rate from 99.6 to 101.2%. The limit of detection (LoD) was 0.270 nmol/L, and the lower limit of the measuring interval (LLMI) was 12.1 nmol/L. A linear correlation ranged from 7.60 to 41 858 nmol/L was observed with a correlation coefficient &gt; 0.999. <i>R</i>² value of linear regression analysis between this method and clinical immunoassays was ≥ 0.990. The relative expanded uncertainty was 1.5%–2.5% over the concentration range of 12.1–33 043 nmol/L. This study developed an ID-LC–MS/MS-based cRMP, which provided high specificity, trueness, and precision for serum DHEAS quantification, contributing to the DHEAS measurement standardization and traceability.</p>\u0000 </div>","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 8","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148471150","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 and Optimization of an LC–MS/MS Method for Quantification of Phosphatidylethanol in Human Whole Blood","authors":"Jacob B. Nielsen,&nbsp;Sarrah Lahorewala,&nbsp;Qingwen Yang,&nbsp;Hai Huynh,&nbsp;Yuvanesh Vedaraju,&nbsp;Yiwei Liu,&nbsp;Roger L. Bertholf,&nbsp;Xin Yi","doi":"10.1002/jms.70083","DOIUrl":"10.1002/jms.70083","url":null,"abstract":"<div>\u0000 \u0000 <p>Phosphatidylethanols (PEth) are ethanol-derived phospholipids formed in red blood cell membranes during alcohol exposure and have emerged as highly specific biomarkers for recent alcohol use. Their extended 2–4-week detection window makes them uniquely valuable for objective monitoring in liver disease and transplantation, where accurate assessment of alcohol abstinence is critical. We developed and validated a robust liquid chromatography–tandem mass spectrometry (LC–MS/MS) assay for simultaneous quantification of PEth 16:0/18:1 and PEth 16:0/18:2 in whole blood. Multiple sample extraction strategies were evaluated to optimize recovery, sensitivity, and workflow practicality. The final method employed phospholipid-removal cartridges in a reversed-use configuration to retain, rather than remove, phospholipids. Wash and elution conditions were systematically optimized to achieve adequate sensitivity without a post-extraction evaporation step, enabling direct LC–MS/MS loading after elution and automation compatibility. Due to detectable and lot-variable endogenous PEth in commercial human blood products, multiple matrix sources were evaluated. Chicken whole blood demonstrated the cleanest background and was selected for calibrator and quality-control preparation. The developed method achieved linearity from 10 to 1000 ng/mL (<i>R</i>² &gt; 0.99) with limits of quantification below 10 ng/mL, and within- and between-run precision of &lt; 10% and &lt; 12%, respectively. Method comparison against a national reference laboratory showed excellent agreement (<i>R</i>² ≥ 0.93; bias within ± 5%). No significant carryover, ion suppression, or lipid interference was observed. This developed and optimized LC–MS/MS method provides a sensitive, simplified, and automation-compatible approach for PEth 16:0/18:1 and 16:0/18:2 quantification, well-suited for high-throughput implementation in clinical laboratories.</p>\u0000 </div>","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 8","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148471142","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":"Understanding Mass Spectrometry: From Ion Generation to Spectral Interpretation","authors":"Arnold Steckel,&nbsp;Dávid Papp,&nbsp;Gitta Schlosser","doi":"10.1002/jms.70078","DOIUrl":"10.1002/jms.70078","url":null,"abstract":"<p>This tutorial provides a structured introduction to mass spectrometry (MS), with particular emphasis on electrospray ionization (ESI)–based measurements. It is intended to support researchers from chemistry and related disciplines in developing a coherent understanding of MS principles, instrumentation, and data interpretation. The architecture of mass spectrometers is outlined, including ion generation, mass analysis, and detection, together with the fundamental processes by which analytes are converted into gas-phase ions. Emphasis is placed on practical interpretation of mass spectra, including isotopic pattern analysis, molecular mass and elemental composition determination, and the evaluation of spectral peak characteristics such as resolution. The role of tandem mass spectrometry (MS/MS) in structural elucidation, particularly in the context of ESI-induced fragmentation pathways, is discussed. Terminology is aligned with IUPAC recommendations to ensure conceptual clarity. Selected illustrative examples demonstrate the integration of theoretical principles with experimental practice in compound identification and analysis.</p>","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 8","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jms.70078","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148437045","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}