Journal of the American Society for Mass Spectrometry最新文献

{"title":"Reactivity of [CpFe(CO)2]+ with Nitrogen-Containing Heterocyclic Compounds in the Gas Phase: Ligand Exchange and Dehydrogenation","authors":"Robert King,&nbsp;Allan J. Canty,&nbsp;Richard A. J. O’Hair and Victor Ryzhov*,&nbsp;","doi":"10.1021/jasms.4c0043710.1021/jasms.4c00437","DOIUrl":"https://doi.org/10.1021/jasms.4c00437https://doi.org/10.1021/jasms.4c00437","url":null,"abstract":"<p >A previous gas-phase study has uncovered formal catalytic cycles for the dehydrogenation of model liquid organic hydrogen carriers (LOHCs) pyrrolidine, <i>N</i>-methylpyrrolidine, and piperidine by the coordinatively unsaturated half-sandwich cyclopentadienyl iron cation, [CpFe]⁺. That work is extended here to the well-known condensed-phase [CpFe(CO)₂]⁺ cation, which was generated via electrospray ionization for gas-phase reactions with model LOHCs in a linear ion trap mass spectrometer, in which the helium bath gas was seeded with 0.1% carbon monoxide. The initial ion–molecule reaction (IMR) was exothermic enough to expel one CO molecule from the complex to form [CpFe(CO)L]⁺ (L = pyrrolidine, <i>N</i>-methylpyrrolidine, or piperidine). Collision-induced dissociation (CID) of these cations revealed two fragmentation pathways: (i) removal of another CO molecule leading to the species [CpFeL]⁺ that was studied previously; (ii) dehydrogenation of the ligand L (except for L= <i>N</i>-methylpyrrolidine). Two new formal catalytic cycles (for dehydrogenation of pyrrolidine and piperidine) were found that operate via a combination of IMR and CID experiments and which rely on the presence of CO for re-ligation of iron complexes. Density functional theory calculations were performed to compute the structures of all species observed as well as the reaction energetics.</p>","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"36 2","pages":"379–388 379–388"},"PeriodicalIF":3.1,"publicationDate":"2024-12-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143126478","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ionization Characteristics of Glycan Homologues in Various Modes of Electrospray","authors":"Nicholas R. Allen,&nbsp;Kanwal Jeet,&nbsp;Tolulope Ogunsanya,&nbsp;Ian Ferraro,&nbsp;Nancy Fernandes,&nbsp;Huishan Li,&nbsp;Thaddaeus Webster,&nbsp;Carrie Mason and Anyin Li*,&nbsp;","doi":"10.1021/jasms.4c0042510.1021/jasms.4c00425","DOIUrl":"https://doi.org/10.1021/jasms.4c00425https://doi.org/10.1021/jasms.4c00425","url":null,"abstract":"<p >Fluorescence labeled glycan homologous mixtures were quantified using fluorescence and then used to evaluate ionization performances in electrospray ionization at micro, nano, and femto flow modes. nanoESI produced higher (2+ and 3+) charged ions adducted with sodium and calcium. In comparison, femtoESI was found to favor the generation of [M + H]⁺ ions against metal adducts, even with nonvolatile salts up to 1 mM for NaCl and 100 μM for CaCl₂. For labeled glucose homopolymer (GHP) glycans, nanoESI and femtoESI had 0.81 and 3 nM detection limits, respectively. With LC separation and a much higher flow rate, conventional microflow ESI detected all glycans with 10-fold lower concentrations. Overall, nanoESI had the optimum uniformity in the relative ionization efficiency (RIE). When summing up intensities of analyte ions formed with all charge carriers, the RIE of the midsized glycans (10 to 16 glucose units) appear to be uniform (RIE 95%–105%). For the smaller (1–5 glucose units) glycan components, femtoESI provided better uniformity than nanoESI and conventional ESI. For the labeled IgG N-glycans, the impact of chemical structure on the ionization efficiency was revealed by the strong correlation between their RIE trends in different ionization modes.</p>","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"36 2","pages":"346–354 346–354"},"PeriodicalIF":3.1,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143126766","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Direct Implementation of MSn Using Frequency Scanning Collision Induced Dissociation in a Digital Ion Trap Mass Spectrometer","authors":"Jie Ren,&nbsp;Pingping Chen,&nbsp;Yunjing Zhang,&nbsp;Xingli He,&nbsp;Lingfeng Li* and Peng Li*,&nbsp;","doi":"10.1021/jasms.4c0039510.1021/jasms.4c00395","DOIUrl":"https://doi.org/10.1021/jasms.4c00395https://doi.org/10.1021/jasms.4c00395","url":null,"abstract":"<p >Tandem mass spectrometry (MSⁿ) is one of the most effective methods to obtain the structures of organic molecules, enabling the observation of multigenerational ion fragments. Collision-induced dissociation (CID) is currently the most mature technique for mass spectrometry analysis. Ion trap mass spectrometry (ITMS) is favored for on-site detection field, due to its ability of MSⁿ analysis with a single trap and its small size. However, conventional MSⁿ analysis in ITMS requires repeated isolation and excitation processes multiple times, causing high complexity of the entire scanning process. Additionally, the fragment ion detection in ITMS is limited by low-mass cutoff (LMCO) and the weak fragmentation yield. In this study, a method named reverse scanning-collision induced dissociation (RS-CID) is proposed, which involves increasing RF and AC frequencies while maintaining RF voltage constant during the CID process. Twelve representative illegal drugs were analyzed adopting this method, enhancing the intensities of low-mass fragment ions compared to conventional dissociation method. Moreover, experimental results with ketamine and methamphetamine show that RS-CID effectively reduces the LMCO effect and slightly improves CID efficiency. It also enables direct acquisition of their multigeneration fragment ions spectra in a single sequence of ion injection, cooling, isolation, RS-CID, cooling, mass scanning and empty. The experiments to distinguish between the isomers ab-4en-pinaca and adb-3en-butinaca as well as the isomeric compounds 5f-cumyl-pegaclone and cumyl-pipetinaca were also successful by this method. In summary, RS-CID enables MSⁿ analysis in a single sequence and improves the low-mass fragment ions intensity. It can simplify workflows, achieve faster analysis and provide more valuable mass spectral information.</p>","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"36 2","pages":"309–317 309–317"},"PeriodicalIF":3.1,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143126767","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"FAST MS: Software for the Automated Analysis of Top-Down Mass Spectra of Polymeric Molecules Including RNA, DNA, and Proteins","authors":"Michael Palasser*,&nbsp; and ,&nbsp;Kathrin Breuker*,&nbsp;","doi":"10.1021/jasms.4c0023610.1021/jasms.4c00236","DOIUrl":"https://doi.org/10.1021/jasms.4c00236https://doi.org/10.1021/jasms.4c00236","url":null,"abstract":"<p >Top-down mass spectrometry (MS) enables comprehensive characterization of modified proteins and nucleic acids and, when native electrospray ionization (ESI) is used, binding site mapping of their complexes with native or therapeutic ligands. However, the high complexity of top-down MS spectra poses a serious challenge to both manual and automated data interpretation, even when the protein, RNA, or DNA sequence and the type of modification or the ligand are known. Here, we introduce FAST MS, a user-friendly software that identifies, assigns and relatively quantifies signals of molecular and fragment ions in MS and MS/MS spectra of biopolymers with known sequence and provides a toolbox for statistical analysis. FAST MS searches mass spectra for ion signals by comparing all signals in the spectrum with isotopic profiles calculated from known sequences, resulting in superior sensitivity and an increased number of assigned fragment ions compared to algorithms that rely on artificial monomer units while maintaining the false positive rate on a moderate level (&lt;5%). FAST MS is an open-source, cross-platform software for the accurate identification, localization and relative quantification of modifications, even in complex mixtures of positional isomers of proteins, oligonucleotides, or any other user-defined linear polymer.</p>","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"36 2","pages":"247–257 247–257"},"PeriodicalIF":3.1,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/jasms.4c00236","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143126768","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Rapid Removal of IgG1 Carryover on Protease Column Using Protease-Safe Wash Solutions Delivered with LC Pump for HDX-MS Systems","authors":"Sandeep Kumar,&nbsp; and ,&nbsp;Kyle W. Anderson*,&nbsp;","doi":"10.1021/jasms.4c0041110.1021/jasms.4c00411","DOIUrl":"https://doi.org/10.1021/jasms.4c00411https://doi.org/10.1021/jasms.4c00411","url":null,"abstract":"<p >Sample carryover is a common problem in hydrogen–deuterium exchange mass spectrometry, particularly because immobilized protease columns cannot withstand the high organic solvent concentrations typically used in liquid chromatography–mass spectrometry (LC-MS) for cleaning. Conventional cleaning methods using injections of guanidine HCl still suffer from carryover and may require four blanks after each sample run to fully remove carryover. We have implemented an additional LC pump to deliver customized wash solutions to protease and enzyme columns, and the associated LC capillaries to eliminate carryover. Pump-based washing using the protease-safe wash solutions tested herein was able to fully remove carryover with only one blank run. FOS-choline-12 was found to be the most effective component in wash solutions and even performed well alone at 0.1% volume concentration. Since the protease column washing is performed concurrently during the analytical gradient within a sample run, subsequent blank runs could be reduced from four to one and total run time could be reduced by up to 60%. Savings in total run time could more than double the productivity of data acquisition, which is imperative for pandemic preparedness and for acceleration of biotherapeutics development.</p>","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"36 2","pages":"340–345 340–345"},"PeriodicalIF":3.1,"publicationDate":"2024-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143126159","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Machine Learning Correlation of Electron Micrographs and ToF-SIMS for the Analysis of Organic Biomarkers in Mudstone","authors":"Michael J. Pasterski*,&nbsp;Matthias Lorenz,&nbsp;Anton V. Ievlev,&nbsp;Raveendra C. Wickramasinghe,&nbsp;Luke Hanley* and Fabien Kenig*,&nbsp;","doi":"10.1021/jasms.4c0030010.1021/jasms.4c00300","DOIUrl":"https://doi.org/10.1021/jasms.4c00300https://doi.org/10.1021/jasms.4c00300","url":null,"abstract":"<p >The spatial distribution of organics in geological samples can be used to determine when and how these organics were incorporated into the host rock. Mass spectrometry (MS) imaging can rapidly collect a large amount of data, but ions produced are mixed without discrimination, resulting in complex mass spectra that can be difficult to interpret. Here, we apply unsupervised and supervised machine learning (ML) to help interpret spectra from time-of-flight-secondary ion mass spectrometry (ToF-SIMS) of an organic-carbon-rich mudstone of the Middle Jurassic of England (UK). It was previously shown that the presence of sterane molecular biomarkers in this sample can be detected via ToF-SIMS (<contrib-group><span>Pasterski, M. J.</span></contrib-group> et al., <cite><i>Astrobiology</i></cite> <span>2023</span>, <em>23</em>, 936). We use unsupervised ML on scanning electron microscopy–electron dispersive spectroscopy (SEM-EDS) measurements to define compositional categories based on differences in elemental abundances. We then test the ability of four ML algorithms─k-nearest neighbors (KNN), recursive partitioning and regressive trees (RPART), eXtreme gradient boost (XGBoost), and random forest (RF)─to classify the ToF-SIM spectra using (1) the categories assigned via SEM-EDS, (2) organic and inorganic labels assigned via SEM-EDS, and (3) the presence or absence of detectable steranes in ToF-SIMS spectra. In terms of predictive accuracy and balanced accuracy, KNN was the best performing model and RPART the worst. The feature importance, or the specific features of the ToF-SIM spectra used by the models to make classifications, cannot be determined for KNN, preventing posthoc model interpretation. Nevertheless, the feature importance extracted from the other models was useful for interpreting spectra. We determined that some of the organic ions used to classify biomarker containing spectra may be fragment ions derived from kerogen which is abundant in this mudstone sample.</p>","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"36 1","pages":"58–71 58–71"},"PeriodicalIF":3.1,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143085126","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Predicting Precursor Ions Combined with Fragmentation Pathway for Screening and Identification of Flavan-3-ol Oligomers in Tea (Camellia sinensis. var. assamica)","authors":"Min Feng,&nbsp;Yonglin Li,&nbsp;Yanfang Qin,&nbsp;Wensi Ma,&nbsp;Dabing Ren* and Lunzhao Yi*,&nbsp;","doi":"10.1021/jasms.4c0039010.1021/jasms.4c00390","DOIUrl":"https://doi.org/10.1021/jasms.4c00390https://doi.org/10.1021/jasms.4c00390","url":null,"abstract":"<p >Flavan-3-ol oligomers (FLOs), including proanthocyanidins (PAs) and theasinensins (TSs), contribute greatly to the flavor and bioactivity of the tea beverage. Ultrahigh-performance liquid chromatography coupled with high-resolution mass spectrometry has been widely used in profiling a wide range of compounds in tea. However, the detection and identification of FLOs with low concentration and high structural diversity remain meaningful yet challenging work. Herein, we propose a strategy that enables efficient discovery and annotation of FLOs, especially those with a relatively high degree of polymerization (DP, ≥3). Based on the known monomers and the specific polymerization pattern between them, the strategy predicted a theoretical list of precursor ions of FLO. Matching the predicted list against the experimental ion features screened out 490 features as the candidate of FLOs from over 10 000 raw features. Investigation of the fragmentation pathways of 17 known FLOs found that both PAs and TSs are easily subjected to RDA cleavage, which produced a series of characteristic fragmentation ions and neutral losses. Moreover, successive cleavage of the C₄ → C₈ bond between monomer units is observed for PAs, leading to the generation of characteristic fragmentation ions corresponding to monomeric flavan-3-ols. Assisted by the characteristic fragmentation pathways, 52 FLOs (DP: 2–6) were finally annotated from the 490 retained features. Their chemical structures were verified by depolymerization experiments using menthofuran as the nucleophilic trapping reagent. Among them, the pentamers and hexamers were detected in a Yunnan large leaf tea for the first time. Semiquantitation and multivariate statistical analysis indicate that PAs exhibit higher contents in green tea, and TSs show higher levels in black and white tea.</p>","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"36 1","pages":"161–174 161–174"},"PeriodicalIF":3.1,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143085336","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Interpolation of Imaging Mass Spectrometry Data by a Window-Based Adversarial Autoencoder Method","authors":"Lili Xu,&nbsp;Qing Zhai,&nbsp;Ariful Islam,&nbsp;Takumi Sakamoto,&nbsp;Chi Zhang,&nbsp;Shuhei Aramaki,&nbsp;Tomohito Sato,&nbsp;Ikuko Yao,&nbsp;Tomoaki Kahyo* and Mitsutoshi Setou,&nbsp;","doi":"10.1021/jasms.4c0037210.1021/jasms.4c00372","DOIUrl":"https://doi.org/10.1021/jasms.4c00372https://doi.org/10.1021/jasms.4c00372","url":null,"abstract":"<p >Imaging mass spectrometry (IMS) is a technique for simultaneously acquiring the expression and distribution of molecules on the surface of a sample, and it plays a crucial role in spatial omics research. In IMS, the time cost and instrument load required for large data sets must be considered, as IMS typically involves tens of thousands of pixels or more. In this study, we developed a high-resolution method for IMS data reconstruction using a window-based Adversarial Autoencoder (AAE) method. We acquired IMS data from partial cerebellum regions of mice with a pitch size of 75 μm and then down-sampled the data to a pitch size of 150 μm, selecting 22 <i>m</i>/<i>z</i> peak intensity values per pixel. We established an AAE model to generate three pixels from the surrounding nine pixels within a window to reconstruct the image data at a pitch size of 75 μm. Compared with two alternative interpolation methods, Bilinear and Bicubic interpolation, our window-based AAE model demonstrated superior performance on image evaluation metrics for the validation data sets. A similar model was constructed for larger mouse kidney tissues, where the AAE model achieved high image evaluation metrics. Our method is expected to be valuable for IMS measurements of large animal organs across extensive areas.</p>","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"36 1","pages":"127–134 127–134"},"PeriodicalIF":3.1,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143084763","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Photochemical and Collision-Induced Cross-Linking of Lys, Arg, and His to Nitrile Imines in Peptide Conjugate Ions in the Gas Phase","authors":"Jiahao Wan,&nbsp;Mikuláš Vlk,&nbsp;Marianna Nytka,&nbsp;Tuan Ngoc Kim Vu,&nbsp;Karel Lemr* and František Tureček*,&nbsp;","doi":"10.1021/jasms.4c0043810.1021/jasms.4c00438","DOIUrl":"https://doi.org/10.1021/jasms.4c00438https://doi.org/10.1021/jasms.4c00438","url":null,"abstract":"<p >We report a study of internal covalent cross-linking with photolytically generated diarylnitrile imines of N-terminal arginine, lysine, and histidine residues in peptide conjugates. Conjugates in which a 4-(2-phenyltetrazol-5-yl)benzoyl group was attached to C-terminal lysine, that we call RAAA-<i>tet</i>-K, KAAA-<i>tet</i>-K, and HAAA-<i>tet</i>-K, were ionized by electrospray and subjected to UV photodissociation (UVPD) at 213 nm. UVPD triggered loss of N₂ and proceeded by covalent cross-linking to nitrile imine intermediates that involved the side chains of N-terminal arginine, lysine, and histidine, as well as the peptide amide groups. Cross-linking yields were determined from UVPD-MS² measurements as 67%, 66%, and 84% for RAAA-<i>tet</i>-K, KAAA-<i>tet</i>-K, and HAAA-<i>tet</i>-K ions, respectively. CID-MS³ of the denitrogenated ion intermediates from RAAA-<i>tet</i>-K, KAAA-<i>tet</i>-K, and HAAA-<i>tet</i>-K indicated overall cross-linking yields of 80%, 89%, and 80%, respectively. The nature of the cross-linking reactions and cross-link structures were investigated for RAAA-<i>tet</i>-K by high-resolution cyclic ion mobility mass spectrometry that identified precursor ion conformers and multiple dissociation products. All sequences were subjected to conformational analysis by Born–Oppenheimer molecular dynamics, and energy analysis by density functional theory calculations with M06-2X/def2qzvpp that provided relative and dissociation energies for several cross-link structural types. The cross-linking reactions were substantially exothermic, driving the efficient conversion of nitrile-imine intermediates to cyclic products. The principal steps in covalent cross-linking involved proton transfer onto the nitrile imine group accompanied by nucleophilic attack by the peptide side-chain and amide groups. Blocking the proton transfer and nucleophile resulted in a loss of cross-linking abilities.</p>","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"36 1","pages":"209–220 209–220"},"PeriodicalIF":3.1,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143084562","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"MS SIEVE–Pushing the Limits for Biomolecular Mass Spectrometry","authors":"Kudratullah Karimi,&nbsp;Jonathan Zöller,&nbsp;Tommy Hofmann,&nbsp;Rene Zangl,&nbsp;Jonathan Schulte,&nbsp;Julian D. Langer,&nbsp;Carla Schmidt and Nina Morgner*,&nbsp;","doi":"10.1021/jasms.4c0034310.1021/jasms.4c00343","DOIUrl":"https://doi.org/10.1021/jasms.4c00343https://doi.org/10.1021/jasms.4c00343","url":null,"abstract":"<p >Electrospray mass spectrometry has become indispensable in many disciplines including the classic “omics” techniques such as proteomics or lipidomics, as well as other life science applications in molecular, cellular, and structural biology. However, a limiting factor that often arises for the detection of biomolecular analytes is their poor ionization efficiency in the ion source. Here, we present an add-on device for the electrospray source, termed MS <i>SIEVE</i> (MS Spectral Impurity Eliminator &amp; Value Enhancer), which is placed between the electrospray needle and the cone of the mass spectrometer. We probed the application of MS <i>SIEVE</i> for various biomolecules including proteins, peptides, lipids, glycans and DNA oligonucleotides and even synthetic polymers such as polyethylene glycol and found that MS <i>SIEVE</i> selectively improves the signal intensity, while suppressing the spectral contribution of contaminants such as NaCl. Importantly, MS <i>SIEVE</i> can, in principle, be adapted for any electrospray ion source and, therefore, represents a promising alternative for routine “omics” methods as well as special applications on challenging analytes.</p>","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"36 1","pages":"91–99 91–99"},"PeriodicalIF":3.1,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143084719","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}