Journal of Mass Spectrometry最新文献_第6页

Dependency of fentanyl analogue protomer ratios on solvent conditions as measured by ion mobility-mass spectrometry 通过离子迁移质谱法测量芬太尼类似物原体比率与溶剂条件的关系。

IF 1.9 3区化学

Journal of Mass Spectrometry Pub Date : 2024-07-11 DOI: 10.1002/jms.5070

Copeland R. Johnson, Heidi M. Sabatini, Ralph Aderorho, Christopher D. Chouinard

{"title":"Dependency of fentanyl analogue protomer ratios on solvent conditions as measured by ion mobility-mass spectrometry","authors":"Copeland R. Johnson, Heidi M. Sabatini, Ralph Aderorho, Christopher D. Chouinard","doi":"10.1002/jms.5070","DOIUrl":"10.1002/jms.5070","url":null,"abstract":"Recently, our group has shown that fentanyl and many of its analogues form prototropic isomers (“protomers”) during electrospray ionization. These different protomers can be resolved using ion mobility spectrometry and annotated using mobility-aligned tandem mass spectrometry fragmentation. However, their formation and the extent to which experimental variables contribute to their relative ratio remain poorly understood. In the present study, we systematically investigated the effects of mixtures of common chromatographic solvents (water, methanol, and acetonitrile) and pH on the ratio of previously observed protomers for 23 fentanyl analogues. Interestingly, these ratios (N-piperidine protonation vs. secondary amine/O = protonation) decreased significantly for many analogues (e.g., despropionyl ortho-, meta-, and para-methyl fentanyl), increased significantly for others (e.g., cis-isofentanyl), and remained relatively constant for the others as solvent conditions changed from 100% organic solvent (methanol or acetonitrile) to 100% water. Interestingly, pH also had significant effects on this ratio, causing the change in ratio to switch in many cases. Lastly, increasing conditions to pH ≥ 4.0 also prompted the appearance of new mobility peaks for ortho- and para-methyl acetyl fentanyl, where all previous studies had only showed one single distribution. Because these ratios have promise to be used qualitatively for identification of these (and emerging) fentanyl analogues, understanding how various conditions (i.e., mobile phase selection and/or chromatographic gradient) affect their ratios is critically important to the development of advanced ion mobility and mass spectrometry methodologies to identify fentanyl analogues.","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"59 8","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jms.5070","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141579986","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}

引用次数: 0

Untargeted metabolomic profiling of Prinsepia utilis Royle leaves by Ultra-Performance Liquid Chromatography-Quadrupole-Time of Flight-Mass Spectrometry 利用超高效液相色谱-四极杆飞行时间质谱法对 Prinsepia utilis Royle 叶片进行非靶向代谢组学分析。

IF 1.9 3区化学

Journal of Mass Spectrometry Pub Date : 2024-07-11 DOI: 10.1002/jms.5075

Kiran Chauhan, Piyush Bhalla, Khushaboo Bhadoriya, Vinay Kumar Varshney

引用次数: 0

Rapid identification of various chemical components in Cinnamomi ramulus by UPLC-Q-Orbitrap-MS 利用 UPLC-Q-Orbitrap-MS 快速鉴定 Cinnamomi ramulus 中的各种化学成分。

IF 1.9 3区化学

Journal of Mass Spectrometry Pub Date : 2024-07-11 DOI: 10.1002/jms.5069

Lexin Shu, Sitong Liu, Fangfang Zhang, Huixin Qiu, Shumin Zhang, Jun Qian, Yanyan Xu, Yanru Deng, Yuming Wang, Yubo Li

引用次数: 0

Proceedings of the 39th Informal Meeting on Mass Spectrometry 第 39 届质谱仪非正式会议记录。

IF 1.9 3区化学

Journal of Mass Spectrometry Pub Date : 2024-07-11 DOI: 10.1002/jms.5067

Yves Gimbert

引用次数: 0

Distribution of active ingredients and quality control of Forsythia suspensa with AP-MALDI mass spectrometry imaging 利用 AP-MALDI 质谱成像技术对悬钩子连翘的有效成分进行分布和质量控制。

IF 1.9 3区化学

Journal of Mass Spectrometry Pub Date : 2024-07-11 DOI: 10.1002/jms.5073

Yongli Liu, Cheng Wang, Zhenhe Chen, Hao Yuan, Rong Lei, Xiaodong Li, Shuangcheng Ma, Changxiao Liu

{"title":"Distribution of active ingredients and quality control of Forsythia suspensa with AP-MALDI mass spectrometry imaging","authors":"Yongli Liu, Cheng Wang, Zhenhe Chen, Hao Yuan, Rong Lei, Xiaodong Li, Shuangcheng Ma, Changxiao Liu","doi":"10.1002/jms.5073","DOIUrl":"10.1002/jms.5073","url":null,"abstract":"The fruits of Forsythia suspensa (F. suspensa) have been used as a traditional Chinese medicine for 2000 years. Currently, the quality control of F. suspensa strictly follows the instructions of Chinese Pharmacopeia, which mainly controls the content of forsythoside A, phillyrin, and volatile oil. In this study, air pressure MALDI mass spectrometry imaging (AP-MALDI MSI) was used to evaluate the quality of F. suspensa fruits and the distribution of dozens of active ingredients. The variation of active ingredients was measured for more than 30 batches of samples, regarding harvest time, cultivated environment, shelf-life, and habitat. Fifty-three active ingredients could be detected in F. suspensa fruits with AP-MALDI MSI. Seven active ingredients were upregulated, four ingredients downregulated, and 15 ingredients did not change in ripe fruits. A sharp variation of active ingredients in late September was observed for the Caochuan fruits harvested in 2019, which is closely related to the appearance of the ginger color of the pericarp under the microscope observation. The microscope observation is a reliable way to classify ripe and green fruits instead of outlook. Just considering forsythoside A and phillyrin, it is found that wild fruits are better than cultivated fruits, but cultivated fruits have high contents of other ingredients. The shelf-life of F. suspensa fruits is proposed to be 3 years, considering the 26 ingredients investigated. It was found that Luoning wild fruits are better than those from Caochuan with a new evaluation method. Mass spectrometry imaging is an easy, objective, and effective method to evaluate the quality of F. suspensa fruits.","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"59 8","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141579988","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}

引用次数: 0

Differentiation of regioisomers of sulfobenzoic acid by traveling-wave ion mobility mass spectrometry 利用行波离子迁移质谱法区分苯甲酸的regioisomers。

IF 1.9 3区化学

Journal of Mass Spectrometry Pub Date : 2024-07-11 DOI: 10.1002/jms.5068

Jinxin Zhang, Meenu Kumar, Spencer Pinto, Ishira Samarasinghe, Athula B. Attygalle

{"title":"Differentiation of regioisomers of sulfobenzoic acid by traveling-wave ion mobility mass spectrometry","authors":"Jinxin Zhang, Meenu Kumar, Spencer Pinto, Ishira Samarasinghe, Athula B. Attygalle","doi":"10.1002/jms.5068","DOIUrl":"10.1002/jms.5068","url":null,"abstract":"An ion mobility mass spectrometry (IM-MS) investigation using a Synapt G2 mass spectrometer was conducted to separate anions generated from the three regioisomers of sulfobenzoic acid. The results revealed that the differences in arrival time distributions (ATDs) were inadequate to differentiate the isomers unambiguously. However, the ATD profiles of the product ions, generated by fragmenting the respective mass-selected m/z 201 precursor ions in the Trap region of the three-compartment traveling-wave ion guide of the Synapt G2 mass spectrometer, were distinctly different, enabling definitive differentiation of the isomers. An arrival-time peak for an ion of m/z 157 resulting from the loss of CO2 from the respective precursors was common to all three mobilograms. However, only the profile recorded from the para-isomer exhibited a unique arrival-time peak for an ion of m/z 137, originating from an SO2 loss. Such a peak corresponding to an SO2 loss was absent in the ATD profiles of the ortho- and meta-isomers. Additionally, the mobilogram of the meta-isomer displayed a unique peak at 3.42 ms. Based on its product ion spectrum, this peak was attributed to the bisulfite anion (m/z 81; HSO3ˉ). Previously, this meta-isomer specific m/z 81 ion had been proposed to originate from a two-step process involving the intermediacy of an m/z 157 ion formed by CO2 loss. However, our detailed tandem mass spectrometric experiments suggest that the m/z 81 is not a secondary product but rather an ion that originated from a direct elimination of a benzyne derivative from the m/z 201 precursor ion.","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"59 8","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141579987","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}

引用次数: 0

Mass spectrometry imaging-based multi-omics approaches to understand drug metabolism and disposition By Nav Raj Phulara and Herana Kamal Seneviratne 以质谱成像为基础的多组学方法了解药物代谢和处置作者：Nav Raj Phulara 和 Herana Kamal Seneviratne

IF 1.9 3区化学

Journal of Mass Spectrometry Pub Date : 2024-07-10 DOI: 10.1002/jms.5071

Nav Raj Phulara, Seneviratne

引用次数: 0

Tentative identification of phytochelatins, their derivatives, and Cd-phytochelatin complexes in Ocimum basilicum L. roots by Paper Spray Mass Spectrometry 利用纸喷雾质谱法初步鉴定 Ocimum basilicum L. 根中的植物螯合素、其衍生物和镉-植物螯合素复合物。

IF 1.9 3区化学

Journal of Mass Spectrometry Pub Date : 2024-07-02 DOI: 10.1002/jms.5063

Vânia de Lourdes das G. Teles, Giselle V. de Sousa, Rodinei Augusti, Letícia M. Costa

{"title":"Tentative identification of phytochelatins, their derivatives, and Cd-phytochelatin complexes in Ocimum basilicum L. roots by Paper Spray Mass Spectrometry","authors":"Vânia de Lourdes das G. Teles, Giselle V. de Sousa, Rodinei Augusti, Letícia M. Costa","doi":"10.1002/jms.5063","DOIUrl":"10.1002/jms.5063","url":null,"abstract":"An unprecedented and direct PS-MS (paper spray ionization mass spectrometry) method was proposed for the detection of native peptides, that is, glutathiones (GSHs), homoglutathiones (hGSHs), and phytochelatins (PCs), in basil (Ocimum basilicum L.) roots before and after cadmium exposure. The roots were submitted to cold maceration followed by sonication with formic acid as the extractor solvent for sample preparation. PS-MS was used to analyze such extracts in the positive mode, and the results allowed for the detection of several GSHs, hGSHs, and PCs. Some of these PCs were not distinguished in the control samples, that is, basil roots not exposed to cadmium. Other PCs were noticed in both types of roots, uncontaminated and cadmium-contaminated, but the intensities were higher in the former samples. Moreover, long-time exposure to cadmium stimulated the formation of some of these PCs and their cadmium complexes. The results, therefore, provided some crucial insights into the defense mechanism of plants against an external stress condition due to exposure to a toxic heavy metal. The present study represents a promising alternative to investigate other crucial physiological processes in plants submitted to assorted stress conditions.","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"59 7","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141492327","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}

引用次数: 0

Recent advances in gas phase unfolding: Instrumentation and applications 气相展开的最新进展：仪器和应用。

IF 2.3 3区化学

Journal of Mass Spectrometry Pub Date : 2024-06-18 DOI: 10.1002/jms.5059

Rowan Matney, Varun V. Gadkari

引用次数: 0

An innovative method to identify structural change through ion-molecule collision, making use of Time-Of-Flight measurements and SIMION simulations 利用飞行时间测量和 SIMION 模拟，采用创新方法识别离子-分子碰撞带来的结构变化。

IF 2.3 3区化学

Journal of Mass Spectrometry Pub Date : 2024-06-18 DOI: 10.1002/jms.5066

Nicolas Solem, Claire Romanzin, Christian Alcaraz, Roland Thissen

{"title":"An innovative method to identify structural change through ion-molecule collision, making use of Time-Of-Flight measurements and SIMION simulations","authors":"Nicolas Solem, Claire Romanzin, Christian Alcaraz, Roland Thissen","doi":"10.1002/jms.5066","DOIUrl":"10.1002/jms.5066","url":null,"abstract":"Structural change of ions induced by collision with a neutral has been studied in a guided ion beam tandem mass spectrometer, using Time-Of-Flight measurements and SIMION simulation. The exothermic catalytic isomerization of HOC+ to HCO+ is used to explore the new methodology. Isomerization is catalyzed via a proton transport mechanism through the interplay of a neutral molecule, the catalyst. Four different potential catalysts, Ne, D2, CH4, and C18O, were studied at different collision energies. SIMION simulation of the ion path and collision in the instrument leads to the highlight of a specific signature related to the catalytic isomerization in the time-of-flight spectra. This signature is used to identify the experimental conditions where isomerization takes place. Only C18O, at low collision energies, gives a clear signature of catalytic isomerization, and a quantitative estimate of the catalyzed isomerization cross-section and rate constant is derived. This new methodology is sensitive to clear presence of catalyzed isomerization and can be used in instruments designed for cross-section measurements, provided low collision energy is used and ion bunching is available.","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"59 7","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jms.5066","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141419459","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}

引用次数: 0