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Tandem Mass Spectrometry01:21

Tandem Mass Spectrometry

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Tandem mass spectrometry is a technique that uses multiple mass analyzers in series to obtain a higher selectivity and signal-to-noise ratio for the analyte. Instruments with multiple analyzers separated by an interaction cell enable secondary fragmentation and selected study of the fragment ions.
Secondary fragmentations occur in the interaction cell and can be induced by various factors. Fragmentation induced by collision with inert gases, such as N2, Ar, He, etc., is called collision-induced...
924
Mass Spectrometry: Complex Analysis01:21

Mass Spectrometry: Complex Analysis

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Mass spectrometry is an important technique for the identification of pure compounds. However, it has some limitations for the analysis of complex mixtures, often due to excessive fragmentation making the spectrum too complicated to decipher. Mass spectrometry can be combined with suitable separation methods in sequence, forming hyphenated methods, which are useful in the analysis of complex mixtures.
GC–MS is a powerful hyphenated method commonly used in forensics and environmental...
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Peptide Identification Using Tandem Mass Spectrometry01:33

Peptide Identification Using Tandem Mass Spectrometry

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Tandem mass spectrometry, also known as MS/MS or MS2, is an analytical technique that employs two mass analyzers. Essentially it is a series of mass spectrometers that helps isolate a particular biomolecule and then helps study its chemical properties.
This technique helps gather information regarding the protein from which the peptide was obtained and to study the peptides’ amino acid sequence. Identifying peptides from a complex mixture is an important component of the growing field of...
6.4K
Mass Analyzers: Overview01:13

Mass Analyzers: Overview

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The mass analyzer is a crucial component of the mass spectrometer. In the ionization chamber, the vaporized sample is bombarded with a high-energy electron beam to generate a radical cation and further fragment into neutral molecules, radicals, and cations. A series of negatively charged accelerator plates accelerate the cations into the mass analyzer. The mass analyzer separates ions according to their mass-to-charge (m/z) ratios and then directs them to the detector. The common types of mass...
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Mass Spectrometers01:16

Mass Spectrometers

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This lesson details the instrumentation of a mass spectrometer—a physical instrument to perform mass spectrometry on analyte molecules and record the characteristic mass spectra. This is achieved via three chief functions:
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相关实验视频

Updated: Jun 11, 2025

Large Scale Non-targeted Metabolomic Profiling of Serum by Ultra Performance Liquid Chromatography-Mass Spectrometry UPLC-MS
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Large Scale Non-targeted Metabolomic Profiling of Serum by Ultra Performance Liquid Chromatography-Mass Spectrometry UPLC-MS

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在msFeaST中组合LC-MS/MS功能分组,统计优先级和交互式网络.

Kevin Mildau1,2,3, Christoph Büschl4, Jürgen Zanghellini2

  • 1Bioinformatics Group, Department of Plant Sciences, Wageningen University & Research, Radix Building, Droevendaalsesteeg 1, Wageningen, 6708PB, the Netherlands.

Bioinformatics (Oxford, England)
|September 30, 2024
PubMed
概括
此摘要是机器生成的。

我们开发了msFeaST,这是一个用于非目标代谢学数据分析的新工作流. 该工具通过将光谱相似性与统计测试相结合,以获得更好的生物见解来增强代谢物特征优先级.

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Liquid Chromatography Coupled to Refractive Index or Mass Spectrometric Detection for Metabolite Profiling in Lysate-based Cell-free Systems
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Identifying Per- and Polyfluorinated Chemical Species with a Combined Targeted and Non-Targeted-Screening High-Resolution Mass Spectrometry Workflow
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Last Updated: Jun 11, 2025

Large Scale Non-targeted Metabolomic Profiling of Serum by Ultra Performance Liquid Chromatography-Mass Spectrometry UPLC-MS
07:34

Large Scale Non-targeted Metabolomic Profiling of Serum by Ultra Performance Liquid Chromatography-Mass Spectrometry UPLC-MS

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Liquid Chromatography Coupled to Refractive Index or Mass Spectrometric Detection for Metabolite Profiling in Lysate-based Cell-free Systems
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Liquid Chromatography Coupled to Refractive Index or Mass Spectrometric Detection for Metabolite Profiling in Lysate-based Cell-free Systems

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Identifying Per- and Polyfluorinated Chemical Species with a Combined Targeted and Non-Targeted-Screening High-Resolution Mass Spectrometry Workflow
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Identifying Per- and Polyfluorinated Chemical Species with a Combined Targeted and Non-Targeted-Screening High-Resolution Mass Spectrometry Workflow

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科学领域:

  • 代谢学 代谢学 代谢学
  • 计算生物学 计算生物学
  • 生物信息学是一种生物信息学.

背景情况:

  • 非定向的代谢学产生了大量的数据集,需要有效的分析.
  • 组织和优先考虑代谢物特征是一个重大挑战.
  • 目前的方法通常依赖于基于质量碎片的光谱相似性分组.

研究的目的:

  • 介绍msFeaST,一个功能集测试和可视化工作流程,用于LC-MS/MS非目标代谢学数据.
  • 简化代谢物特征的组织和优先级.
  • 整合实验数据与质谱结构信息进行增强分析.

主要方法:

  • 利用k-medoids集群用于基于光谱相似性的特征分组.
  • 应用特征集测试使用全球最好的包群智能统计分析.
  • 开发了一个交互式工作流程,用于整合实验和光谱数据.

主要成果:

  • msFeaST可以通过统计评估代谢物特征组的差异性丰度模式.
  • 工作流利用光谱聚类来分组可能相关的代谢物.
  • 在探索性数据分析中提供了功能和功能集的增强优先级.

结论:

  • msFeaST通过自动化特征组织和优先级来彻底改变非目标代谢学.
  • 工作流程通过综合分析增强了代谢学数据的解释.
  • 从复杂的数据集中发现有意义的生物学见解.