Mass spectrometry最新文献

Quantum Chemical Analysis of the Molecular and Fragment Ion Formation of Butyrophenone by High-Electric Field Tunnel Ionization at Atmospheric Pressure. 大气压下通过高电场隧道电离形成丁酮分子和碎片离子的量子化学分析。

Mass spectrometry Pub Date : 2024-01-01 Epub Date: 2024-10-25 DOI: 10.5702/massspectrometry.A0156

Mitsuo Takayama

{"title":"Quantum Chemical Analysis of the Molecular and Fragment Ion Formation of Butyrophenone by High-Electric Field Tunnel Ionization at Atmospheric Pressure.","authors":"Mitsuo Takayama","doi":"10.5702/massspectrometry.A0156","DOIUrl":"10.5702/massspectrometry.A0156","url":null,"abstract":"The molecular ion M+· was observed when the liquid sample of butyrophenone was supplied using atmospheric pressure corona discharge (APCD). In contrast, the vapor supply resulted in the formation of the protonated molecule [M+H]+. The mass spectrum obtained with the liquid supply showed two distinctive fragment ions at m/z 105 and 120, resulting from α-cleavage and McLafferty rearrangement (McLR), respectively. The APCD spectrum showed peaks of M+· and the characteristic two fragment ions that were the same as the field ionization mass spectra of butyrophenone as reported by Chait et al. and Beckey et al. The formation of the molecular and fragment ions strongly indicated that high-electric field tunnel ionization (HEFTI) occurs by the HEF strength exceeding 108 V/m at the tip of the corona needle in APCD. The charge and spin density distributions of the molecular and fragment ions were analyzed by quantum chemical calculations using time-dependent density functional theory (TDDFT) and natural bond orbital (NBO) analysis.","PeriodicalId":18243,"journal":{"name":"Mass spectrometry","volume":"13 1","pages":"A0156"},"PeriodicalIF":0.0,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11522704/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142546294","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Rapid Analysis for α-Tocopherol and Its Oxidative Products in the Pisum sativum L. Leaf Using Supercritical Fluid Chromatography-Medium Vacuum Chemical Ionization Tandem Mass Spectrometry. 利用超临界流体色谱-中真空化学电离串联质谱法快速分析豌豆叶中的α-生育酚及其氧化产物

Mass spectrometry Pub Date : 2024-01-01 Epub Date: 2024-10-12 DOI: 10.5702/massspectrometry.A0153

Toshinobu Hondo, Yumi Miyake, Michisato Toyoda

{"title":"Rapid Analysis for α-Tocopherol and Its Oxidative Products in the Pisum sativum L. Leaf Using Supercritical Fluid Chromatography-Medium Vacuum Chemical Ionization Tandem Mass Spectrometry.","authors":"Toshinobu Hondo, Yumi Miyake, Michisato Toyoda","doi":"10.5702/massspectrometry.A0153","DOIUrl":"https://doi.org/10.5702/massspectrometry.A0153","url":null,"abstract":"A method for the rapid determination of α-tocopherol (α-T) and its oxidative products in plant tissue has been developed using supercritical fluid extraction (SFE) coupled with supercritical fluid chromatography (SFC) and medium vacuum chemical ionization (MVCI) with tandem mass spectrometry. The method is designed to study changes in levels for α-T and its oxidative products in plant cells during photosynthesis, aiming to observe the light response curves. α-T oxidation is a non-enzymatic self-defense mechanism in plant cells. Unlike enzyme-involved reactions, it cannot be stopped, so the oxidation continues in crude extracts even after extraction. Therefore, a real-time in-situ method is essential for tracking the light response curves. To optimize the selective reaction monitoring method, the reaction mixture of α-T and singlet oxygen (1O2), generated by rose Bengal under light illumination, was used as the source of oxidative products. The relative abundance changes in α-tocopherylquinone and 8a-hydroperoxy tocopherone in Pisum sativum L. (Pea) leaves under excessive light illumination have been preliminarily analyzed as part of the light response curve study. The method archives a throughput of 10-15 minutes for analyzing duplicate leaf samples. This process includes cutting off the leaf, sectioning it, placing the sample in a frozen SFE vessel, and conducting SFE/SFC analysis. Consequently, the average throughput is approximately 5-7 minutes per sample.","PeriodicalId":18243,"journal":{"name":"Mass spectrometry","volume":"13 1","pages":"A0153"},"PeriodicalIF":0.0,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11474449/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142469172","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Rapid Analysis of Glucosinolates Using Direct-Infusion Mass Spectrometry. 利用直接导入质谱法快速分析葡萄糖苷酸盐。

Mass spectrometry Pub Date : 2024-01-01 Epub Date: 2024-08-03 DOI: 10.5702/massspectrometry.A0150

Miho Tanewata, Akira Oikawa

引用次数: 0

Pulsed Nano-Electrospray Ionization Applied to Solutions of Angiotensin II, Bradykinin, and Gramicidin S in Water/Acetonitrile (1/1) with the Addition of 1% Acetic Acid and 10 mM Ammonium Acetate. 将脉冲纳米电喷雾离子化技术应用于水/乙腈（1/1）中的血管紧张素 II、缓激肽和苎麻素 S 溶液，并添加 1% 乙酸和 10 mM 乙酸铵。

Mass spectrometry Pub Date : 2024-01-01 Epub Date: 2024-11-12 DOI: 10.5702/massspectrometry.A0157

Kenzo Hiraoka, Dilshadbek T Usmanov, Satoshi Ninomiya, Stephanie Rankin-Turner, Satoko Akashi

引用次数: 0

Imaging Lipidomics and Metallomics of Brown Rice Cultivars Used for Sake Production. 用于清酒生产的糙米栽培品种的脂质组学和金属组学成像。

Mass spectrometry Pub Date : 2024-01-01 Epub Date: 2024-12-17 DOI: 10.5702/massspectrometry.A0164

Eliza Farestiani, Yoshihiro Tamada, Koji Okuda, Eiichiro Fukusaki, Shuichi Shimma

{"title":"Imaging Lipidomics and Metallomics of Brown Rice Cultivars Used for Sake Production.","authors":"Eliza Farestiani, Yoshihiro Tamada, Koji Okuda, Eiichiro Fukusaki, Shuichi Shimma","doi":"10.5702/massspectrometry.A0164","DOIUrl":"10.5702/massspectrometry.A0164","url":null,"abstract":"Many previous studies have reported various phospholipids and elements that affect sake production; however, it seems to be challenging to investigate individual types in each rice variety due to their high diversity, not to mention their distribution patterns. Since its introduction, mass spectrometry imaging (MSI) has gained attention in various fields as a simple compound visualization technique. The current study highlights the progress of powerful MSI in comprehensively analyzing phospholipids and minerals in brown rice for sake production. Multivariate analysis suggested phospholipids relating to each rice group based on regions of interest. Phospholipid classes connected with embryo and endosperm included fatty acylcarnitine, diacylglycerol, phosphatidylcholine, phosphatidylglycerol, and phosphatidylethanolamine. Meanwhile, the studied rice groups showed the same distribution of the investigated 12 minerals. This is the first study that reports a comprehensive imaging analysis of phospholipids and elements in brown rice for several cultivars for sake production.","PeriodicalId":18243,"journal":{"name":"Mass spectrometry","volume":"13 1","pages":"A0164"},"PeriodicalIF":0.0,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11664313/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142882449","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Determination of Choline-Containing Compounds in Rice Bran Fermented with Aspergillus oryzae Using Liquid Chromatography/Tandem Mass Spectrometry. 利用液相色谱/串联质谱法测定用黑曲霉发酵的米糠中的含胆碱化合物

Mass spectrometry Pub Date : 2024-01-01 Epub Date: 2024-08-08 DOI: 10.5702/massspectrometry.A0151

Masamitsu Maekawa, Anna Iwahori, Masaki Kumondai, Yu Sato, Toshihiro Sato, Nariyasu Mano

{"title":"Determination of Choline-Containing Compounds in Rice Bran Fermented with Aspergillus oryzae Using Liquid Chromatography/Tandem Mass Spectrometry.","authors":"Masamitsu Maekawa, Anna Iwahori, Masaki Kumondai, Yu Sato, Toshihiro Sato, Nariyasu Mano","doi":"10.5702/massspectrometry.A0151","DOIUrl":"10.5702/massspectrometry.A0151","url":null,"abstract":"Choline-containing compounds are essential nutrients for human activity, as they are involved in many biological processes, including cell membrane organization, methyl group donation, neurotransmission, signal transduction, lipid transport, and metabolism. These compounds are normally obtained from food. Fermented brown rice and rice bran with Aspergillus oryzae (FBRA) is a fermented food product derived from rice and rice ingredients. FBRA exhibits a multitude of functional properties with respect to the health sciences. This study has a particular focus on choline-containing compounds. We first developed a simultaneous liquid chromatography/tandem mass spectrometry (LC/MS/MS) analysis method for seven choline-containing compounds. The method was subsequently applied to FBRA and its ingredients. Hydrophilic interaction chromatography (HILIC) and selected reaction monitoring were employed for the simultaneous analysis of seven choline-containing compounds. MS ion source conditions were optimized in positive ion mode, and the product ions derived from the choline group were obtained through MS/MS optimization. Under optimized HILIC conditions, the peaks exhibited good shape without peak tailing. Calibration curves demonstrated high linearity across a 300- to 10,000-fold concentration range. The application of the method to FBRA and other ingredients revealed significant differences between food with and without fermentation. In particular, betaine and α-glycerophosphocholine were found to be highest in FBRA and brown rice malt, respectively. The results indicated that the fermentation processing of rice ingredients results in alterations to the choline-containing compounds present in foods. The developed HILIC/MS/MS method proved to be a valuable tool for elucidating the composition of choline-containing compounds in foods.","PeriodicalId":18243,"journal":{"name":"Mass spectrometry","volume":"13 1","pages":"A0151"},"PeriodicalIF":0.0,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11331278/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142004578","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A Method for High Throughput Free Fatty Acids Determination in a Small Section of Bovine Liver Tissue Using Supercritical Fluid Extraction Combined with Supercritical Fluid Chromatography-Medium Vacuum Chemical Ionization Mass Spectrometry. 一种利用超临界流体萃取结合超临界流体色谱-中真空化学电离质谱法高通量测定小块牛肝组织中游离脂肪酸的方法。

Mass spectrometry Pub Date : 2024-01-01 Epub Date: 2024-01-13 DOI: 10.5702/massspectrometry.A0141

Toshinobu Hondo, Yumi Miyake, Michisato Toyoda

{"title":"A Method for High Throughput Free Fatty Acids Determination in a Small Section of Bovine Liver Tissue Using Supercritical Fluid Extraction Combined with Supercritical Fluid Chromatography-Medium Vacuum Chemical Ionization Mass Spectrometry.","authors":"Toshinobu Hondo, Yumi Miyake, Michisato Toyoda","doi":"10.5702/massspectrometry.A0141","DOIUrl":"10.5702/massspectrometry.A0141","url":null,"abstract":"A novel ionization technique named medium vacuum chemical ionization (MVCI) mass spectrometry (MS), which is a chemical ionization using oxonium (H3O+) and hydroxide (OH-) formed from water, has excellent compatibility with the supercritical fluid extraction (SFE)/supercritical fluid chromatography (SFC). We have studied a method to determine free fatty acids (FFAs) in a small section of bovine liver tissue using SFE/SFC-MVCI MS analysis without further sample preparation. A series of FFA molecules interact with the C18 stationary phase, exhibiting broad chromatographic peaks when using a non-modified CO2 as the mobile phase. It can be optimized by adding a small content of methanol to the mobile phase as a modifier; however, it may dampen the ionization efficiency of MVCI since the proton affinity of methanol is slightly higher than water. We have carefully evaluated the modifier content on the ion detection and column efficiencies. The obtained result showed that an optimized performance was in the range of 1 to 2% methanol-modified CO2 mobile phase for both column efficiency and peak intensity. Higher methanol content than 2% degrades both peak intensity and column efficiency. Using optimized SFC conditions, a section of bovine liver tissue sliced for 14 µm thickness by 1 mm square, which is roughly estimated as about 3300 hepatocytes, was applied to determine 18 FFAs amounts for carbon chains of C12-C24. An amount of each tested FFA was estimated as in the range of 0.07 to 2.6 fmol per cell.","PeriodicalId":18243,"journal":{"name":"Mass spectrometry","volume":"13 1","pages":"A0141"},"PeriodicalIF":0.0,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10806282/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139564293","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Recent Developments and Application of Mass Spectrometry Imaging in N-Glycosylation Studies: An Overview. 质谱成像在 N-糖基化研究中的最新发展和应用：综述。

Mass spectrometry Pub Date : 2024-01-01 Epub Date: 2024-02-27 DOI: 10.5702/massspectrometry.A0142

Bharath S Kumar

{"title":"Recent Developments and Application of Mass Spectrometry Imaging in N-Glycosylation Studies: An Overview.","authors":"Bharath S Kumar","doi":"10.5702/massspectrometry.A0142","DOIUrl":"10.5702/massspectrometry.A0142","url":null,"abstract":"Among the most typical posttranslational modifications is glycosylation, which often involves the covalent binding of an oligosaccharide (glycan) to either an asparagine (N-linked) or a serine/threonine (O-linked) residue. Studies imply that the N-glycan portion of a glycoprotein could serve as a particular disease biomarker rather than the protein itself because N-linked glycans have been widely recognized to evolve with the advancement of tumors and other diseases. N-glycans found on protein asparagine sites have been especially significant. Since N-glycans play clearly defined functions in the folding of proteins, cellular transport, and transmission of signals, modifications to them have been linked to several illnesses. However, because these N-glycans' production is not template driven, they have a substantial morphological range, rendering it difficult to distinguish the species that are most relevant to biology and medicine using standard techniques. Mass spectrometry (MS) techniques have emerged as effective analytical tools for investigating the role of glycosylation in health and illness. This is due to developments in MS equipment, data collection, and sample handling techniques. By recording the spatial dimension of a glycan's distribution in situ, mass spectrometry imaging (MSI) builds atop existing methods while offering added knowledge concerning the structure and functionality of biomolecules. In this review article, we address the current development of glycan MSI, starting with the most used tissue imaging techniques and ionization sources before proceeding on to a discussion on applications and concluding with implications for clinical research.","PeriodicalId":18243,"journal":{"name":"Mass spectrometry","volume":"13 1","pages":"A0142"},"PeriodicalIF":0.0,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10904931/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140022127","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Fragmentation Considerations Using Amidoamine Oxide Homologs.

Mass spectrometry Pub Date : 2024-01-01 Epub Date: 2024-12-05 DOI: 10.5702/massspectrometry.A0158

Atsushi Yamamoto, Naoji Tokai, Rie Kakehashi, Daisuke Saigusa

{"title":"Fragmentation Considerations Using Amidoamine Oxide Homologs.","authors":"Atsushi Yamamoto, Naoji Tokai, Rie Kakehashi, Daisuke Saigusa","doi":"10.5702/massspectrometry.A0158","DOIUrl":"10.5702/massspectrometry.A0158","url":null,"abstract":"This study investigates the mass spectrometric analysis of 10 novel amidoamine oxide compounds, which are innovative hydrogelators for polar solvents. This research aims to identify characteristic fragment patterns for these amide compounds using high-resolution mass spectrometry. Methanol solutions of the compounds were analyzed in positive and negative ion modes, and MS1 and MS2 spectra at 6 collision energy levels were obtained via electrospray ionization and hybrid tandem mass spectrometry. The importance of low-intensity peaks in structure elucidation was emphasized because low-intensity fragments could provide crucial structural information, especially for compounds with similar structures. Chain-length-dependent fragmentation patterns were observed, which could aid in predicting the structures of related compounds. This research highlights the challenges of balancing informative low-intensity peaks with accurate spectral matching in databases. Based on our results, combining mass spectrometry with separation techniques, such as liquid chromatography, could enhance structural elucidation for unknown compounds. This study contributes to the broader field of mass spectrometry and structural chemistry, particularly in the analysis of amide compounds, and future directions are proposed for developing robust algorithms for selecting and interpreting low-intensity peaks to improve compound identification in complex mixtures.","PeriodicalId":18243,"journal":{"name":"Mass spectrometry","volume":"13 1","pages":"A0158"},"PeriodicalIF":0.0,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11626507/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142801470","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Direct Additive Detection in Polymer Films via Platinum-Assisted SALDI Mass Spectrometry Imaging. 通过铂辅助 SALDI 质谱成像直接检测聚合物薄膜中的添加剂。

Mass spectrometry Pub Date : 2024-01-01 Epub Date: 2024-12-17 DOI: 10.5702/massspectrometry.A0162

Hideya Kawasaki, Issey Osaka, Ryuichi Arakawa

引用次数: 0