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相关概念视频

Tandem Mass Spectrometry01:21

Tandem Mass Spectrometry

2.3K
Tandem mass spectrometry is a technique that uses multiple mass analyzers in series to obtain a higher selectivity and reduce chemical noise during analyte detection. 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...
2.3K
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:
8.2K
Mass Spectrometry: Overview01:19

Mass Spectrometry: Overview

8.2K
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 electron 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 behind a...
8.2K
Inductively Coupled Plasma-Mass Spectrometry (ICP-MS): Interferences01:20

Inductively Coupled Plasma-Mass Spectrometry (ICP-MS): Interferences

1.2K
Inductively coupled plasma–mass spectrometry (ICP–MS) is a highly selective and sensitive technique for accurate elemental analysis. Though the analysis of ICP–MS mass spectra is comparatively straightforward, it is affected by spectroscopic and non-spectroscopic interferences. Spectroscopic interferences arise when the plasma contains ionic species with an m/z value the same as the analyte ion. Spectroscopic interference can be categorized as isobaric, polyatomic ions, and...
1.2K
Mass Spectrometry: Molecular Fragmentation Overview01:20

Mass Spectrometry: Molecular Fragmentation Overview

5.4K
The ionization of a molecule into a molecular ion inside the mass spectrometer causes instability in the molecule's structure due to the loss of an electron. This eventually leads to the fragmentation or breaking of some bonds in the molecule. The fragmentation occurs predominantly at specific bonds to yield relatively stable fragments.
One type of fragmentation pattern is the cleavage of a single bond in the molecular ion. The cleavage leads to a radical and a cation. The cleavage can occur at...
5.4K
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 soft-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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相关实验视频

Updated: Jan 12, 2026

Sample Preparation for Mass-spectrometry-based Proteomics Analysis of Ocular Microvessels
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Sample Preparation for Mass-spectrometry-based Proteomics Analysis of Ocular Microvessels

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开放式允许检测来自轨道轨道天体质谱仪产生的蛋白质学数据的意想不到的修改.

Min Tang1, Zhao Sun2,3, Chengpin Shen4

  • 1School of Biological Science and Medical Engineering & School of Engineering Medicine, Beihang University, Beijing 100191, China.

Analytical chemistry
|November 3, 2025
PubMed
概括

OpenSpec是一个新的计算工作流程,用于识别来自Orbitrap Astral质谱仪的蛋白质组学数据中的新奇,意想不到的修改. 这种方法通过使复杂的生物和化学系统的全面分析,增强了猎枪蛋白质组学.

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科学领域:

  • 蛋白质组学是指蛋白质组学.
  • 质谱测量质量谱测量
  • 计算生物学 计算生物学

背景情况:

  • 轨道轨道天文质谱仪提供高性能数据独立采集 (DIA) 用于深度蛋白质分子分析.
  • 现有的搜索引擎很难用这些数据在复杂的生物系统中识别出新的,意想不到的翻译后修饰 (PTM).

研究的目的:

  • 开发一个计算工作流程,OpenSpec,用于全面识别轨道轨道天文DIA数据集中意想不到的修改.
  • 实现对DIA数据的高级开放搜索策略,克服当前搜索引擎的局限性.

主要方法:

  • 开发了OpenSpec,一个使用基于变压器的模型进行前体碎片分组的工作流.
  • 将DIA数据解构为类似DDA的伪MS/MS光谱,用于开放式搜索.
  • 使用合成的基准OpenSpec,并比较DIA与DDA的获取模式.

主要成果:

  • 在各种样本预处理过程中,OpenSpec成功地发现了意想不到的修改,包括对氨酸残留的修改.
  • 工作流程证明了DIA数据的有效解卷用于开放式搜索分析.
  • 基准测试证实了检测各种修改模式的能力.

结论:

  • OpenSpec提供了一个强大的解决方案,用于全面识别Orbitrap Astral DIA蛋白质组数据中意想不到的修改.
  • 这一进步扩大了蛋白质组分析的范围,促进了新的生物和化学见解的发现.
  • 工作流是公开的,促进了该领域的进一步研究.