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相关概念视频

Mass Spectrum: Interpretation01:24

Mass Spectrum: Interpretation

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An unknown compound can be established by identifying the molecular ion peak in the mass spectrum. The molecular ion peak is often weak or absent due to the predominance of fragmentation in high-energy electron beams. In such cases, a low-energy electron beam can be used to scan the spectrum to enhance the intensity of the molecular ion peak. Additionally, chemical ionization, field ionization, and desorption ionization spectra are used to obtain a relatively intense molecular ion peak.
To...
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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...
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Mass Spectrometry: Overview01:19

Mass Spectrometry: Overview

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Mass spectrometry is an analytical technique used to determine the molecular mass and molecular formula of a compound. The basic principle of mass spectrometry is to generate ions from the analyte molecule and measure these ion abundances against their molecular mass.  One common type of ionization, known as electrospray ionization or EI, bombards the analyte molecules in the gas phase with high-energy electron beams. The electron beams displace an electron from the molecule and leave...
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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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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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Mass Spectrum01:23

Mass Spectrum

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A mass spectrum is the graphical representation of the relative abundance of the charged fragments in an analyte plotted against their mass-to-charge ratio (m/z). The plot's x axis represents the ratio of the mass of the charged fragment to the elementary charge it carries. The y axis of the plot represents the relative abundance of each charged species. The relative abundance is calculated from the signal intensity of each charged species recorded at the detector. The most intense signal...
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Analyzing Large Protein Complexes by Structural Mass Spectrometry
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一种通用语言,用于查找质谱数据模式.

Tito Damiani1, Alan K Jarmusch2, Allegra T Aron3

  • 1Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague, Czech Republic.

Nature methods
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PubMed
概括
此摘要是机器生成的。

由于软件的局限性,未定向的质谱数据往往未得到充分利用. 一个新的质谱查询语言 (MassQL) 能够直接查询这些数据,解锁新发现在代谢学及其他领域.

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科学领域:

  • 分析化学 分析化学
  • 生物信息学是一种生物信息学.
  • 代谢学 代谢学 代谢学

背景情况:

  • 大量的非定位质谱数据仍未得到充分利用.
  • 目前的软件工具缺乏灵活性和可扩展性,无法有效地重新分析数据.
  • 有限的可访问性阻碍了从原始质谱数据集的下游解释和发现.

研究的目的:

  • 介绍了一个新语言,质谱查询语言 (MassQL) 和它的软件生态系统.
  • 允许使用用户定义的模式对质谱数据进行直接查询.
  • 加强对公共非目标代谢学数据的重新分析和解释.

主要方法:

  • 发展质谱查询语言 (MassQL),用于查询质谱数据.
  • 创建一个配套的软件生态系统,以支持MassQL.
  • 用现实世界的例子和公共数据集来展示MassQL的能力.

主要成果:

  • MassQL允许对质谱数据进行表达式,用户定义的查询.
  • MassQL 生态系统可直接访问和分析数据.
  • 在多个软件工具中实现增强了数据挖掘能力.

结论:

  • MassQL解决了质谱数据利用方面的局限性.
  • 它使科学家能够重新定义化学多样性并进行新的发现.
  • MassQL的广泛采用提高了数据分析中的互操作性和可重复性.