Journal of the American Society for Mass Spectrometry最新文献_第8页

The 34th Sanibel Conference on Mass Spectrometry: Mass Spectrometry in Energy and the Environment 第34届Sanibel质谱会议：能源和环境中的质谱

IF 3.1 2区化学

Journal of the American Society for Mass Spectrometry Pub Date : 2025-03-05 DOI: 10.1021/jasms.5c0003510.1021/jasms.5c00035

Amy M. McKenna, and , Janne Jänis,

引用次数: 0

Evolution of Mass Spectrometers for High m/z Biological Ion Formation, Transmission, Analysis and Detection: A Personal Perspective 高m/z生物离子形成、传输、分析和检测的质谱仪的发展：个人观点

IF 3.1 2区化学

Journal of the American Society for Mass Spectrometry Pub Date : 2025-03-05 DOI: 10.1021/jasms.4c0034810.1021/jasms.4c00348

Iain D. G. Campuzano*, and , Joseph A. Loo*,

{"title":"Evolution of Mass Spectrometers for High m/z Biological Ion Formation, Transmission, Analysis and Detection: A Personal Perspective","authors":"Iain D. G. Campuzano*,  and , Joseph A. Loo*, ","doi":"10.1021/jasms.4c0034810.1021/jasms.4c00348","DOIUrl":"https://doi.org/10.1021/jasms.4c00348https://doi.org/10.1021/jasms.4c00348","url":null,"abstract":"Mass spectrometry (MS) has become an essential tool in virtually all academic, pharmaceutical, and biopharmaceutical analytical laboratories. The specialized and bespoke area of MS research and application of high m/z ion (>m/z 6000 and high mass, >150 kDa) formation, transmission, analysis, and detection is a relatively new area of focus for MS that has seen dramatic acceleration in interest over the last two decades. Herein we delve into this exciting aspect of MS, discussing how MS instrumentation has been refined and evolved for native-MS analysis. We cover the early groundbreaking experiments showing high m/z ion formation, transmission, and preservation of protein structure in the gas phase. Additionally, we discuss specific instrument optimizations and modifications that have advanced high m/z ion generation, transmission, analysis, and detection, contributing to the research area known as gas-phase structural biology. Native-MS sample introduction methods, emerging technologies, and future perspectives are also examined. Finally, we share personal opinions, observations, and experiences that are new to the community or previously unpublished.","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"36 4","pages":"632–652 632–652"},"PeriodicalIF":3.1,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143746152","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}

引用次数: 0

Identification and Mitigation of Pyrolysis Products in Laser-Cut Paper for Paper Spray Mass Spectrometry 激光切割纸中热解产物的识别与缓解

IF 3.1 2区化学

Journal of the American Society for Mass Spectrometry Pub Date : 2025-03-05 DOI: 10.1021/jasms.4c0049910.1021/jasms.4c00499

Magnus Rydberg, Alexis Ochoa, Katherine Dayana Barrera Campos, Christine Skaggs, Ashur Rael and Nicholas Manicke*,

{"title":"Identification and Mitigation of Pyrolysis Products in Laser-Cut Paper for Paper Spray Mass Spectrometry","authors":"Magnus Rydberg, Alexis Ochoa, Katherine Dayana Barrera Campos, Christine Skaggs, Ashur Rael and Nicholas Manicke*, ","doi":"10.1021/jasms.4c0049910.1021/jasms.4c00499","DOIUrl":"https://doi.org/10.1021/jasms.4c00499https://doi.org/10.1021/jasms.4c00499","url":null,"abstract":"Paper spray mass spectrometry (PS-MS) often employs laser cutting to prepare paper substrates, potentially inducing localized thermal decomposition of the cellulose backbone. This work investigates how cellulose pyrolysis products and inherent background molecules within the paper affect PS-MS signal quality and evaluates paper pretreatment methods to enhance performance. Comparative analyses of laser-cut and razor-cut paper using mass spectrometry and ultraviolet–visible spectroscopy (UV–vis) showed significant differences. Laser-cut paper exhibited elevated MS blank signals and higher absorbance in the 200–400 nm UV region, indicating increased chemical abundance and complexity. Gas chromatography–mass spectrometry (GC-MS) identified over 20 residual compounds on laser-cut paper absent in razor-cut samples, half of which were identified as known cellulose pyrolysis products. Washing the paper substrates with methanol, water, or dilute nitric acid significantly reduced both pyrolysis products and background molecules, with water showing the most improvement. Analyses of morphine, fentanyl, methamphetamine, voriconazole, and fluconazole showed no reduction in the signal after washing, with fentanyl and methamphetamine exhibiting a significantly increased MS signal, regardless of the cutting method. This work reveals that while pyrolysis products from laser cutting contribute to increased chemical noise, inherent background molecules in the paper also play a significant role. A simple water wash mitigates both issues, potentially improving the overall PS-MS performance for a range of analytes.","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"36 4","pages":"829–838 829–838"},"PeriodicalIF":3.1,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143746153","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}

引用次数: 0

HRMS-Viewer: Software for High Resolution Mass Spectrometry Formula Assignment and Data Visualization. HRMS-Viewer：高分辨率质谱公式分配和数据可视化软件。

IF 3.1 2区化学

Journal of the American Society for Mass Spectrometry Pub Date : 2025-03-05 Epub Date: 2025-02-19 DOI: 10.1021/jasms.4c00442

Junyang Chen, Chen He, Jianxun Wu, Yahe Zhang, Quan Shi

引用次数: 0

PNGaseF-Generated N-Glycans Adduct onto Peptides in the Gas Phase. pngasef生成的n -聚糖在气相中加合到多肽上。

IF 3.1 2区化学

Journal of the American Society for Mass Spectrometry Pub Date : 2025-03-05 Epub Date: 2025-02-12 DOI: 10.1021/jasms.4c00431

Valentina Rangel-Angarita, Joann Chongsaritsinsuk, Keira E Mahoney, Lea M Kim, Ryan J Chen, Akua A Appah-Sampong, Isabella P Tran, Alexandra D Steigmeyer, Marie A Hollenhorst, Stacy A Malaker

{"title":"PNGaseF-Generated N-Glycans Adduct onto Peptides in the Gas Phase.","authors":"Valentina Rangel-Angarita, Joann Chongsaritsinsuk, Keira E Mahoney, Lea M Kim, Ryan J Chen, Akua A Appah-Sampong, Isabella P Tran, Alexandra D Steigmeyer, Marie A Hollenhorst, Stacy A Malaker","doi":"10.1021/jasms.4c00431","DOIUrl":"10.1021/jasms.4c00431","url":null,"abstract":"Glycoproteomics has recently increased in popularity due to instrumental and methodological advances. That said, O-glycoproteomic analysis is still challenging for various reasons, including signal suppression, search algorithm limitations, and co-occupancy of N- and O-glycopeptides. To decrease sample complexity and simplify analysis, most O-glycoproteomic workflows include PNGaseF digestion, which is an endoglycosidase that removes most N-glycan structures. Here, we report that N-glycans released from PNGaseF digestion were identified during data acquisition and hampered detection of O-glycopeptides. Importantly, we noted instances where free glycans adducted to unmodified peptides in the gas phase and were misidentified by search algorithms as O-glycopeptides. We confirmed the presence of free glycans in other experiments performed in our laboratory, as well as from data generated by other groups. To overcome this limitation, we demonstrated that released N-glycans can be removed using a molecular weight cut off filter prior to (glyco)protease digestion, which improves O-glycoproteomic coverage.","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":" ","pages":"542-552"},"PeriodicalIF":3.1,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143405090","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}

引用次数: 0

Faces of Mass Spectrometry/Jose Navarrete-Perea. 质谱的面孔/Jose Navarrete-Perea。

IF 3.1 2区化学

Journal of the American Society for Mass Spectrometry Pub Date : 2025-03-05 Epub Date: 2025-02-04 DOI: 10.1021/jasms.5c00020

Anne Brenner, J D Brookbank

引用次数: 0

Rapid and Non-Targeted Qualitative and Quantitative Detection of miRNA in Complex Biological Samples Using Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry with a 3-Aminoquinoline and 2',4',6'-Trihydroxyacetophenone Ionic Liquid Matrix. 基于3-氨基喹啉和2',4',6'-三羟基苯乙酮离子液体基质的基质辅助激光解吸/电离质谱法快速非靶向定性和定量检测复杂生物样品中的miRNA

IF 3.1 2区化学

Journal of the American Society for Mass Spectrometry Pub Date : 2025-03-05 Epub Date: 2025-01-30 DOI: 10.1021/jasms.4c00369

Shiwen Zhou, Jiancong Liao, Kailin Jiang, Huiwen Wang, Yaqin Liu, Hangming Xiong, Ping Wang, Yuanjiang Pan, Hongru Feng

{"title":"Rapid and Non-Targeted Qualitative and Quantitative Detection of miRNA in Complex Biological Samples Using Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry with a 3-Aminoquinoline and 2',4',6'-Trihydroxyacetophenone Ionic Liquid Matrix.","authors":"Shiwen Zhou, Jiancong Liao, Kailin Jiang, Huiwen Wang, Yaqin Liu, Hangming Xiong, Ping Wang, Yuanjiang Pan, Hongru Feng","doi":"10.1021/jasms.4c00369","DOIUrl":"10.1021/jasms.4c00369","url":null,"abstract":"A novel ionic liquid MALDI matrix, 3-aminoquinoline/2',4',6'-trihydroxyacetophenone monohydrate (3-AQ/THAP), was developed for the rapid qualitative and quantitative detection of miRNA from biological samples. Compared to the traditional matrix 2,5-dihydroxybenzoic acid (DHB) and previously reported oligonucleotide-specific matrices, such as 3-aminopicolinic acid (3-APA), 3-hydroxypicolinic acid (3-HPA), and 6-aza-2-thiothymine (ATT), the 3-AQ/THAP matrix offers several advantages. It produces fewer alkali metal adduct peaks, exhibits higher sensitivity, and ensures better spot-to-spot repeatability. The 3-AQ/THAP matrix provides broader mass coverage and can effectively detect oligonucleotides ranging from 3-mer to 50-mer while delivering single-base resolution and sequence information. Additionally, it significantly reduces the \"sweet spot\" effect with an RSD of less than 7% over 36 single-spot analyses. For oligonucleotides ranging from 16-mer to 26-mer, the linear range extends from 0.4 μM to 40 μM per spot, with an R2 greater than 0.988. Finally, miRNA in human plasma, fetal equine serum, and fetal bovine serum was successfully identified both qualitatively and quantitatively using the 3-AQ/THAP matrix. This matrix demonstrated excellent practicability for the detection of multiple miRNAs in complex biological samples.","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":" ","pages":"495-503"},"PeriodicalIF":3.1,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143063009","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}

引用次数: 0

In Silico Characterization of Glycan Ions from IM-MS Collision Cross Section. 用IM-MS碰撞截面表征聚糖离子的硅表征。

IF 3.1 2区化学

Journal of the American Society for Mass Spectrometry Pub Date : 2025-03-05 Epub Date: 2025-02-10 DOI: 10.1021/jasms.4c00370

Mithony Keng, Kenneth M Merz

{"title":"In Silico Characterization of Glycan Ions from IM-MS Collision Cross Section.","authors":"Mithony Keng, Kenneth M Merz","doi":"10.1021/jasms.4c00370","DOIUrl":"10.1021/jasms.4c00370","url":null,"abstract":"Ion mobility mass spectrometry (IM-MS) can assist in the identification of isobaric chemical analytes by exploiting the difference in their gas phase collision cross-section (CCS) property. In glycomics, reliable glycan characterization remains challenging, even with IM-MS, because of closely related isomeric species and the available binding arrangements of substituted monosaccharides, allowing for the formation of complex structures. Here, we present a computational procedure to obtain gas-phase structural information from the experimental IM-MS CCS data of carbohydrates. The workflow proceeds with high throughput charge modeling of glycan seed structures to determine the precise protonation or deprotonation site. The charge models were then screened by using density functional theory (DFT) to produce candidate charge states for conformation generation. An extensive conformational scoring of the glycan ions was performed quantum mechanically at the DFT D3-B3LYP/6-31G+(d,p) level for the negative mode, [M - H]-, and at the D3-B3LYP/6-31G(d,p) level for the positive mode, [M + H]+. For most of our test set, the computed CCS values from the final geometry optimized structures showed good agreement with experiment. We also demonstrated the capability of characterizing configurational and constitutional isomeric species. Altogether, we believe that the method we used in this work can be used to build a reliable theoretical reference database for glycans that can be used for experimental quality control and for assigning molecular structure to experimental IM-MS CCS information.","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":" ","pages":"504-513"},"PeriodicalIF":3.1,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11887428/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143389789","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}

引用次数: 0

Analysis of Fentanyl and Fentanyl Analogs Using Atmospheric Pressure Chemical Ionization Gas Chromatography-Mass Spectrometry (APCI-GC-MS). 大气压化学电离气相色谱-质谱联用分析芬太尼及其类似物。

IF 3.1 2区化学

Journal of the American Society for Mass Spectrometry Pub Date : 2025-03-05 Epub Date: 2025-02-02 DOI: 10.1021/jasms.4c00455

Karen A Reyes Monroy, Richard McCrary, Isabelle Parry, Catherine Webber, Teresa D Golden, Guido F Verbeck

{"title":"Analysis of Fentanyl and Fentanyl Analogs Using Atmospheric Pressure Chemical Ionization Gas Chromatography-Mass Spectrometry (APCI-GC-MS).","authors":"Karen A Reyes Monroy, Richard McCrary, Isabelle Parry, Catherine Webber, Teresa D Golden, Guido F Verbeck","doi":"10.1021/jasms.4c00455","DOIUrl":"10.1021/jasms.4c00455","url":null,"abstract":"Illicit fentanyl and fentanyl analogs are a growing concern in the United States as opioid related deaths rise. Given that fentanyl analogs are readily obtained by modifying the structure of fentanyl, illicit fentanyl analogs appearing on the black market often contain similar structures, making analogue differentiation and identification difficult. Thus, obtaining both precursor and product ion data during analysis is becoming increasingly valuable in fentanyl analog characterization. In this paper, we provide GC column retention time, precursor, and product ion mass spectrum data for 74 fentanyl analogs that were analyzed using atmospheric pressure chemical ionization-gas chromatography-mass spectrometry (APCI-GC-MS) utilizing a triple quadrupole mass analyzer. During analysis, precursor ions underwent collision induced dissociation (CID) by increasing the collision energy (10, 20, 30, 40, and 50 V) throughout a single run. Data reveal that APCI readily produces product ions of the piperidine and N-alkyl chain but rarely provides data on the acyl group. Furthermore, fentanyl analogs with greater substitution at the N-alkyl chain demonstrate a greater preference for dissociation at the N-αC and αC-βC bond, while greater substitution at the amide group leads to fragmentation at the N-C4 bond.","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":" ","pages":"587-600"},"PeriodicalIF":3.1,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11887434/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143078407","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}

引用次数: 0

The 34th Sanibel Conference on Mass Spectrometry: Mass Spectrometry in Energy and the Environment. 第34届Sanibel质谱会议：能源和环境中的质谱。

IF 3.1 2区化学

Journal of the American Society for Mass Spectrometry Pub Date : 2025-03-05 DOI: 10.1021/jasms.5c00035

Amy M McKenna, Janne Jänis

引用次数: 0