Mass spectrometry最新文献_第10页

Simultaneous Quantification of Sphingolipids in Small Quantities of Liver by LC-MS/MS. LC-MS/MS同时定量少量肝脏鞘脂。

Mass spectrometry Pub Date : 2014-12-01 DOI: 10.5702/massspectrometry.S0046

D. Saigusa, Michiyo Okudaira, Jiao Wang, K. Kano, M. Kurano, B. Uranbileg, H. Ikeda, Y. Yatomi, H. Motohashi, J. Aoki

{"title":"Simultaneous Quantification of Sphingolipids in Small Quantities of Liver by LC-MS/MS.","authors":"D. Saigusa, Michiyo Okudaira, Jiao Wang, K. Kano, M. Kurano, B. Uranbileg, H. Ikeda, Y. Yatomi, H. Motohashi, J. Aoki","doi":"10.5702/massspectrometry.S0046","DOIUrl":"https://doi.org/10.5702/massspectrometry.S0046","url":null,"abstract":"Sph, S1P, and Cer, derived from the membrane sphingolipids, act as intracellular and intercellular mediators, involved in various (path) physiological functions. Accordingly, determining the distributions and concentrations of these sphingolipid mediators in body tissues is an important task. Consequently, a method for determination of sphingolipids in small quantities of tissue is required. Sphingolipids analysis has been dependent on improvements in mass spectrometry (MS) technology. Additionally, decomposition of sphingosine-1-phosphate (S1P) in the tissue samples before preparation for MS has hindered analysis. In the present study, a method for stabilization of liver samples before MS preparation was developed using a heat stabilizer (Stabilizor™ T1). Then, a LC-MS/MS method using a triple-quadrupole mass spectrometer with a C8 column was developed for simultaneous determination of sphingolipids in small quantities of liver specimens. This method showed good separation and validation results. Separation was performed with a gradient elution of solvent A (5 mmol L(-1) ammonium formate in water, pH 4.0) and solvent B (5 mmol L(-1) ammonium formate in 95% acetonitrile, pH 4.0) at 300 μL min(-1). The lower limit of quantification was less than 132 pmol L(-1), and this method was accurate (∼13.5%) and precise (∼7.13%) for S1P analysis. The method can be used to show the tissue distribution of sphingolipids.","PeriodicalId":18243,"journal":{"name":"Mass spectrometry","volume":"37 1","pages":"S0046"},"PeriodicalIF":0.0,"publicationDate":"2014-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85360468","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 17

Thermodynamic Measurements of Alloys and Compounds by Double Knudsen Cell Mass Spectrometry and Their Application to Materials Processing. 双克努森细胞质谱法测定合金和化合物的热力学及其在材料加工中的应用。

Mass spectrometry Pub Date : 2014-11-01 DOI: 10.5702/massspectrometry.S0040

H. Sasaki, Yoshifumi Kobashi, T. Nagai, M. Maeda

引用次数: 0

Salt Tolerance Enhancement of Liquid Chromatography-Matrix-Assisted Laser Desorption/Ionization-Mass Spectrometry Using Matrix Additive Methylenediphosphonic Acid. 基质添加剂亚二膦酸增强液相色谱-基质辅助激光解吸/电离-质谱法的耐盐性

Mass spectrometry Pub Date : 2014-10-01 DOI: 10.5702/massspectrometry.A0031

Yuki Ohta, Shinichi Iwamoto, S. Kawabata, Ritsuko Tanimura, Koichi Tanaka

{"title":"Salt Tolerance Enhancement of Liquid Chromatography-Matrix-Assisted Laser Desorption/Ionization-Mass Spectrometry Using Matrix Additive Methylenediphosphonic Acid.","authors":"Yuki Ohta, Shinichi Iwamoto, S. Kawabata, Ritsuko Tanimura, Koichi Tanaka","doi":"10.5702/massspectrometry.A0031","DOIUrl":"https://doi.org/10.5702/massspectrometry.A0031","url":null,"abstract":"Mass spectrometry (MS) is a highly sensitive analytical technique that is often coupled with liquid chromatography (LC). However, some buffering salts used in LC (e.g., phosphate and tris(hydroxymethyl)aminomethane (Tris)) are incompatible with MS since they cause ion-source contamination and signal suppression. In this study, we examined salt tolerance of MALDI and applied a matrix additive methylenediphosphonic acid (MDPNA) to reduce salt-induced signal suppression. MDPNA significantly improved the salt tolerance of MALDI-MS. Using ammonium formate buffer at pH 5.0, the effective range of buffering salt concentration in MALDI-MS using MDPNA was estimated up to 250 mM. MDPNA reduced signal suppression caused by buffering salts at pH 4.0 to 8.0. We observed that MDPNA effectively worked over a wide range of buffer conditions. MDPNA was further applied to hydrophilic interaction chromatography (HILIC) and chromatofocusing-MALDI-MS. As a result, the analytes in the eluent containing high-concentration salts were detected with high sensitivity. Thus, our study provides simple and fast LC-MALDI-MS analysis technique not having strict limitation of buffering condition in LC by using matrix additive MDPNA.","PeriodicalId":18243,"journal":{"name":"Mass spectrometry","volume":"51 1","pages":"A0031"},"PeriodicalIF":0.0,"publicationDate":"2014-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79802517","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 8

A Data Structure for Rapid Mass Spectral Searching. 快速质谱搜索的数据结构。

Mass spectrometry Pub Date : 2014-08-01 DOI: 10.5702/massspectrometry.S0035

D. L. Sweeney

引用次数: 4

Molecular Formula Identification Using Isotope Pattern Analysis and Calculation of Fragmentation Trees. 基于同位素模式分析的分子式鉴定及碎片树计算。

Mass spectrometry Pub Date : 2014-08-01 DOI: 10.5702/massspectrometry.S0037

Kai Dührkop, Franziska Hufsky, Sebastian Böcker

引用次数: 21

Automatic Compound Annotation from Mass Spectrometry Data Using MAGMa. 使用MAGMa对质谱数据进行自动复合标注。

Mass spectrometry Pub Date : 2014-08-01 DOI: 10.5702/massspectrometry.S0033

L. Ridder, J. V. D. van der Hooft, S. Verhoeven

引用次数: 56

Rethinking Mass Spectrometry-Based Small Molecule Identification Strategies in Metabolomics. 代谢组学中基于质谱的小分子鉴定策略的反思。

Mass spectrometry Pub Date : 2014-08-01 DOI: 10.5702/massspectrometry.S0038

Fumio Matsuda

引用次数: 13

CASMI 2013: Identification of Small Molecules by Tandem Mass Spectrometry Combined with Database and Literature Mining. CASMI 2013:结合数据库和文献挖掘的串联质谱法鉴定小分子。

Mass spectrometry Pub Date : 2014-08-01 DOI: 10.5702/massspectrometry.S0034

Andrew G. Newsome, D. Nikolić

{"title":"CASMI 2013: Identification of Small Molecules by Tandem Mass Spectrometry Combined with Database and Literature Mining.","authors":"Andrew G. Newsome, D. Nikolić","doi":"10.5702/massspectrometry.S0034","DOIUrl":"https://doi.org/10.5702/massspectrometry.S0034","url":null,"abstract":"The Critical Assessment of Small Molecule Identification (CASMI) contest was initiated in 2012 to evaluate manual and automated strategies for the identification of small molecules from raw mass spectrometric data. The authors participated in both category 1 (molecular formula determination) and category 2 (molecular structure determination) of the second annual CASMI contest (CASMI 2013) using slow but effective manual methods. The provided high resolution mass spectrometric data were interpreted manually using a combination of molecular formula calculators, fragment and neutral loss analysis, literature consultation, manual database searches, deductive logic, and experience. The authors submitted correct formulas as lead candidates for 16 of 16 challenges and submitted correct structure solutions as lead candidates for 14 of 16 challenges. One structure submission (Challenge 3) was very close but not exact (N (2)-acetylglutaminylisoleucinamide instead of the correct N (2)-acetylglutaminylleucinamide). A solution for one (Challenge 13) was not submitted due to an inability to reconcile the provided fragmentation pattern with any known structures with the provided molecular composition.","PeriodicalId":18243,"journal":{"name":"Mass spectrometry","volume":"42 1","pages":"S0034"},"PeriodicalIF":0.0,"publicationDate":"2014-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77635561","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 5

Winners of CASMI2013: Automated Tools and Challenge Data. CASMI2013的获奖者:自动化工具和挑战数据。

Mass spectrometry Pub Date : 2014-08-01 DOI: 10.5702/massspectrometry.S0039

T. Nishioka, T. Kasama, T. Kinumi, H. Makabe, Fumio Matsuda, Daisuke Miura, M. Miyashita, Takemichi Nakamura, Kenichi Tanaka, Atsushi Yamamoto

{"title":"Winners of CASMI2013: Automated Tools and Challenge Data.","authors":"T. Nishioka, T. Kasama, T. Kinumi, H. Makabe, Fumio Matsuda, Daisuke Miura, M. Miyashita, Takemichi Nakamura, Kenichi Tanaka, Atsushi Yamamoto","doi":"10.5702/massspectrometry.S0039","DOIUrl":"https://doi.org/10.5702/massspectrometry.S0039","url":null,"abstract":"CASMI (Critical Assessment of Small Molecule Identification) is a contest in which participants identify the molecular formula and chemical structure of challenging molecules using blind mass spectra as the challenge data. Seven research teams participated in CASMI2013. The winner of CASMI2013 was the team of Andrew Newsome and Dejan Nikolic, the University of Illinois at Chicago, IL, USA. The team identified 15 among 16 challenge molecules by manually interpreting the challenge data and by searching in-house and public mass spectral databases, and chemical substance and literature databases. MAGMa was selected as the best automated tool of CASMI2013. In some challenges, most of the automated tools successfully identified the challenge molecules, independent of the compound class and magnitude of the molecular mass. In these challenge data, all of the isotope peaks and the product ions essential for the identification were observed within the expected mass accuracy. In the other challenges, most of the automated tools failed, or identified solution candidates together with many false-positive candidates. We then analyzed these challenge data based on the quality of the mass spectra, the dissociation mechanisms, and the compound class and elemental composition of the challenge molecules.","PeriodicalId":18243,"journal":{"name":"Mass spectrometry","volume":"43 1","pages":"S0039"},"PeriodicalIF":0.0,"publicationDate":"2014-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80777287","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 22

Solving CASMI 2013 with MetFrag, MetFusion and MOLGEN-MS/MS. 使用MetFrag, MetFusion和MOLGEN-MS/MS解决CASMI 2013。

Mass spectrometry Pub Date : 2014-08-01 DOI: 10.5702/massspectrometry.S0036

Emma L. Schymanski, Michael Gerlich, Christoph Ruttkies, S. Neumann

{"title":"Solving CASMI 2013 with MetFrag, MetFusion and MOLGEN-MS/MS.","authors":"Emma L. Schymanski, Michael Gerlich, Christoph Ruttkies, S. Neumann","doi":"10.5702/massspectrometry.S0036","DOIUrl":"https://doi.org/10.5702/massspectrometry.S0036","url":null,"abstract":"The second Critical Assessment of Small Molecule Identification (CASMI) contest took place in 2013. A joint team from the Swiss Federal Institute of Aquatic Science and Technology (Eawag) and Leibniz Institute of Plant Biochemistry (IPB) participated in CASMI 2013 with an automatic workflow-style entry. MOLGEN-MS/MS was used for Category 1, molecular formula calculation, restricted by the information given for each challenge. MetFrag and MetFusion were used for Category 2, structure identification, retrieving candidates from the compound databases KEGG, PubChem and ChemSpider and joining these lists pre-submission. The results from Category 1 were used to guide whether formula or exact mass searches were performed for Category 2. The Category 2 results were impressive considering the database size and automated regime used, although these could not compete with the manual approach of the contest winner. The Category 1 results were affected by large m/z and ppm values in the challenge data, where strategies beyond pure enumeration from other participants were more successful. However, the combination used for the CASMI 2013 entries was extremely useful for developing decision-making criteria for automatic, high throughput general unknown (non-target) identification and for future contests.","PeriodicalId":18243,"journal":{"name":"Mass spectrometry","volume":"PP 1","pages":"S0036"},"PeriodicalIF":0.0,"publicationDate":"2014-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84551448","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 16