Mass Spectrometry Letters最新文献_第3页

Evaluation of Recent Data Processing Strategies on Q-TOF LC/MS Based Untargeted Metabolomics 基于Q-TOF LC/MS的非靶向代谢组学最新数据处理策略评价

IF 0.5

Mass Spectrometry Letters Pub Date : 2020-01-01 DOI: 10.5478/MSL.2020.11.1.1

O. Kaplan, M. Çelebier

{"title":"Evaluation of Recent Data Processing Strategies on Q-TOF LC/MS Based Untargeted Metabolomics","authors":"O. Kaplan, M. Çelebier","doi":"10.5478/MSL.2020.11.1.1","DOIUrl":"https://doi.org/10.5478/MSL.2020.11.1.1","url":null,"abstract":"In this study, some of the recently reported data processing strategies were evaluated and modified based on their capabilities and a brief workflow for data mining was redefined for Q-TOF LC-MS based untargeted metabolomics. Commercial pooled human plasma samples were used for this purpose. An ultrafiltration procedure was applied on sample preparation. Sample set was analyzed through Q-TOF LC/MS. A C18 column (Agilent Zorbax 1.8 μM, 50 × 2.1 mm) was used for chromatographic separation. Raw chromatograms were processed using XCMS - R programming language edition and Isotopologue Parameter Optimization (IPO) was used to optimize XCMS parameters. The raw XCMS table was processed using MS Excel to find reliable and reproducible peaks. Totally 1650 reliable and reproducible potential metabolite peaks were found based on the data processing procedures given in this paper. The redefined dataset was upload into MetaboAnalyst platform and the identified metabolites were matched with 86 metabolic pathways. Thus, two list were obtained and presented in this study as supplement files. The first list is to present the retention times and m/z values of detected metabolite peaks. The second list is the metabolic pathways related with the identified metabolites. The briefly described data processing strategies and dataset presented in this study could be beneficial for the researchers working on untargeted metabolomics for processing their data and validating their results.","PeriodicalId":18238,"journal":{"name":"Mass Spectrometry Letters","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2020-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81003935","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: 4

Simultaneous Determination of Anthraquinone, Flavonoids, and Phenolic Antidiabetic Compounds from Cassia auriculata Seeds by Validated UHPLC Based MS/MS Method 高效液相色谱-质谱法同时测定木耳决明子中蒽醌类、黄酮类和酚类抗糖尿病化合物的含量

IF 0.5

Mass Spectrometry Letters Pub Date : 2020-01-01 DOI: 10.5478/MSL.2020.11.4.82

A. Girme, G. Saste, Ashish A. Chinchansure, S. Joshi, R. Kunkulol, L. Hingorani, B. Patwardhan

{"title":"Simultaneous Determination of Anthraquinone, Flavonoids, and Phenolic Antidiabetic Compounds from Cassia auriculata Seeds by Validated UHPLC Based MS/MS Method","authors":"A. Girme, G. Saste, Ashish A. Chinchansure, S. Joshi, R. Kunkulol, L. Hingorani, B. Patwardhan","doi":"10.5478/MSL.2020.11.4.82","DOIUrl":"https://doi.org/10.5478/MSL.2020.11.4.82","url":null,"abstract":"A systematic isolation and characterization study for Cassia auriculata (CA) seeds resulted in identifying antidiabetic compounds 1,3,8-trihydroxyanthraquinone and quercetin, quercetin-3-O-rutinoside, gallic acid, caffeic acid, ferulic acid, and ellagic acid. The ultra-high-performance liquid chromatography based triple quadrupole mass spectrometry methodology was developed and validated for simultaneous identification and confirmation of these compounds from CA seeds. Multiple reaction monitoring (MRM) based quantification method was developed with MRM optimizer software for MS1 and MS2 mass analysis. The method was optimized on precursor ions and product ions with the ion ratio of each compound. The calibration curves of seven bioactive analytes showed excellent linearity (r2 ≥ 0.99). The quantitation results found precise (RSD, < 10 %) with good recoveries (84.58 to 101.42%). The matrix effect and extraction recoveries were found within the range (91.66 to 102.11%) for the CA seeds. This is the first MS/MS-based methodology applied to quantifying seven antidiabetic compounds in CA seeds and its extract for quality control purposes.","PeriodicalId":18238,"journal":{"name":"Mass Spectrometry Letters","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2020-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88155297","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: 1

Analysis of Hypoxia-Inducible Factor Stabilizers by a Modified QuEChERS Extraction for Antidoping Analysis 用改良的QuEChERS萃取法分析缺氧诱导因子稳定剂的反兴奋剂分析

IF 0.5

Mass Spectrometry Letters Pub Date : 2020-01-01 DOI: 10.5478/MSL.2020.11.4.118

S. Kim, Nu Ri Lim, H. Min, Changmin Sung, H. Oh, Ki Hun Kim

{"title":"Analysis of Hypoxia-Inducible Factor Stabilizers by a Modified QuEChERS Extraction for Antidoping Analysis","authors":"S. Kim, Nu Ri Lim, H. Min, Changmin Sung, H. Oh, Ki Hun Kim","doi":"10.5478/MSL.2020.11.4.118","DOIUrl":"https://doi.org/10.5478/MSL.2020.11.4.118","url":null,"abstract":"An analytical method was developed for hypoxia-inducible factor (HIF) stabilizers based on QuEChERS (Quick, Easy, Cheap, Effective, Rugged, and Safe) sample preparation and liquid chromatography-high resolution mass spectrometry analysis. HIF stabilizers potentially enhance the performance of athletes, and hence, they have been prohibited. However, the analysis of urinary HIF stabilizers is not easy owing to their unique structure and characteristics. Hence, we developed the QuEChERS preparation technique for a complementary method and optimized the pH, volume of extraction solvent, and number of extractions. We found that double extraction with 1% of formic acid in acetonitrile provided the highest recovery of HIF stabilizers. Moreover, the composition of the mobile phase was also optimized for better separation of molidustat and IOX4. The developed method was validated in terms of its precision, detection limit, matrix effect, and recovery for ISO accreditation. To the best of our knowledge, this is the first demonstration of the application of the QuEChERS method, which is suitable as a complementary analytical method, in antidoping.","PeriodicalId":18238,"journal":{"name":"Mass Spectrometry Letters","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2020-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81133139","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: 2

A Low-Cost Open-Source Air Sampler for the Sorbent Tube Sampling for TD-GC/MS Analysis 一种低成本的开源空气采样器，用于吸附管采样的TD-GC/MS分析

IF 0.5

Mass Spectrometry Letters Pub Date : 2020-01-01 DOI: 10.5478/MSL.2020.11.4.95

Hwa-yong Jang, H. Oh

引用次数: 0

Comparison of Matrices for Optimal Analysis of Synthetic Polymers Using MALDI-TOF Mass Spectrometry MALDI-TOF质谱法分析合成聚合物最佳基质的比较

IF 0.5

Mass Spectrometry Letters Pub Date : 2020-01-01 DOI: 10.5478/MSL.2020.11.4.77

HeeJae Yoo, Duck-Hyun Kim, Yoon-Ji Choi, Jungshin Choi, Moonhee Park, DongJin Shin, YoonSeok Oh, Yangsun Kim, Kun Cho

引用次数: 0

Advances in Ion Mobility Spectrometry-Mass Spectrometry (IMS-MS)-Based Techniques for Elucidating Higher-Order Protein Structures 基于离子迁移谱-质谱(IMS-MS)技术的高阶蛋白质结构研究进展

IF 0.5

Mass Spectrometry Letters Pub Date : 2020-01-01 DOI: 10.5478/MSL.2020.11.4.65

Jongcheol Seo

引用次数: 0

Mass Spectrometry-Based Proteomic Profiling of Pseudopodia of Metastatic Cancer Cells 基于质谱的转移癌细胞假足的蛋白质组学分析

IF 0.5

Mass Spectrometry Letters Pub Date : 2020-01-01 DOI: 10.5478/MSL.2020.11.2.25

Sunkyu Choi

引用次数: 1

Mass Spectrometry Imaging of Microbes 微生物质谱成像

IF 0.5

Mass Spectrometry Letters Pub Date : 2020-01-01 DOI: 10.5478/MSL.2020.11.3.41

Hyojik Yang, D. Goodlett, R. Ernst, Alison J. Scott

引用次数: 3

Liquid Chromatography-Tandem Mass Spectrometry Analysis of Riboflavin in Beagle Dog Plasma for Pharmacokinetic Studies 液相色谱-串联质谱法分析比格犬血浆中核黄素的药动学研究

IF 0.5

Mass Spectrometry Letters Pub Date : 2020-01-01 DOI: 10.5478/MSL.2020.11.1.10

Hyeon Myeong Jeong, B. Shin, Soyoung Shin

{"title":"Liquid Chromatography-Tandem Mass Spectrometry Analysis of Riboflavin in Beagle Dog Plasma for Pharmacokinetic Studies","authors":"Hyeon Myeong Jeong, B. Shin, Soyoung Shin","doi":"10.5478/MSL.2020.11.1.10","DOIUrl":"https://doi.org/10.5478/MSL.2020.11.1.10","url":null,"abstract":"Riboflavin is a water-soluble vitamin, which serves as a precursor to flavin mononucleotide and flavin adenine dinucleotide. This study aimed to develop a simple and rapid liquid chromatography-tandem mass spectrometry (LC-MS/MS) analysis for the quantification of riboflavin in the Beagle dog plasma. This method utilized simple protein precipitation with acetonitrile and 13C4,15N2-riboflavin was used as an internal standard (IS). For chromatographic separation, a hydrophilic interaction liquid chromatography (HILIC) column was used with gradient elution. The mobile phase consisted of 0.1% (v/v) aqueous formic acid with 10 mM ammonium formate and acetonitrile with 0.1% (v/v) formic acid. Since riboflavin is an endogenous compound, 4% bovine serum albumin in phosphate buffered saline was used as a surrogate matrix to prepare the calibration curve. The quantification limit for riboflavin in the Beagle dog plasma was 5 ng/mL. The method was fully validated for its specificity, sensitivity, accuracy and precision, recovery, and stability according to the US FDA guidance. The developed LC-MS/MS method may be useful for the in vivo pharmacokinetic studies of riboflavin.","PeriodicalId":18238,"journal":{"name":"Mass Spectrometry Letters","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2020-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88702878","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: 2

Mass Spectrometry for Metabolome Analysis 代谢组分析的质谱分析

IF 0.5

Mass Spectrometry Letters Pub Date : 2020-01-01 DOI: 10.5478/MSL.2020.11.2.17

Xiaohang Wang, Liang Li

引用次数: 0