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相关概念视频

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...
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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 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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Matrix-Assisted Laser Desorption Ionization (MALDI)01:08

Matrix-Assisted Laser Desorption Ionization (MALDI)

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Matrix-assisted laser desorption ionization (MALDI) is a powerful analytical technique used in mass spectrometry. It enables the identification and characterization of various biomolecules, including proteins, peptides, nucleic acids, and carbohydrates. MALDI spectrometry is widely employed in biological and medical research, as well as in fields like pharmacology and biochemistry.
The analyte of interest, a biomolecule or a mixture of biomolecules, is mixed with a suitable matrix material. The...
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相关实验视频

Updated: Jun 27, 2025

Identifying Per- and Polyfluorinated Chemical Species with a Combined Targeted and Non-Targeted-Screening High-Resolution Mass Spectrometry Workflow
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聚焦质谱非目标选分析:最近公布的高级数据处理方法用于提取,优先级和量化特征.

Susanne Minkus1,2, Stefan Bieber1, Thomas Letzel1,2

  • 1AFIN-TS GmbH Augsburg Germany.

Analytical science advances
|May 8, 2024
PubMed
概括

本综述涵盖了水中微量有机化合物的非目标查 (NTS) 的先进方法. 它强调了数据处理,特征优先级和新的定量技术,而没有环境风险评估的分析标准.

关键词:
环境分析环境分析功能提取 特性提取非目标查是非目标查.确定优先级,确定优先级.半量化部分量化

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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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相关实验视频

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科学领域:

  • 环境化学环境化学
  • 分析化学 分析化学
  • 质谱测量质量谱测量

背景情况:

  • 非目标查 (NTS) 通过检测微量有机化合物来补充常规水源监测.
  • 有效的NTS需要强大的特征提取,优先级和识别.
  • 量化数据对于评估检测到的化合物的环境风险至关重要.

研究的目的:

  • 审查NTS数据处理和特征优先级的最新进展.
  • 为NTS提出不需要分析标准的新型 (半量化) 方法.
  • 专注于通过液态染色学-高分辨率质谱学分析的环境水样.

主要方法:

  • 集成的数据处理工作流程与优化的算法功能提取.
  • 兴趣区域-多变量曲线分辨率 (ROI-MCR) 用于化学特征提取.
  • 优先级策略包括化学空间限制,有针对性的分析指导和信号强度.
  • 使用定量结构-保留关系 (QSRR) 模型进行保留时间 (RT) 索引和预测.
  • 在没有分析标准的情况下,基于预测电离效率的定量NTS.

主要成果:

  • 证明了完全集成的数据处理工作流程,提高了功能覆盖范围.
  • 介绍了ROI-MCR作为一种有效的数据压缩和特征提取技术.
  • 突出了RT作为NTS的诊断工具,提高了识别准确度.
  • 通过预测电离效率,引入了一种新的定量NTS方法.

结论:

  • 最近的NTS方法提供了改进的数据处理,特征优先级和识别.
  • 创新的定量技术正在出现,消除了对分析标准的需求.
  • 这些进展提高了评估水体中微量有机化合物相关风险的能力.