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相关概念视频

Mass Spectrometry: Overview01:19

Mass Spectrometry: Overview

5.5K
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...
5.5K
Mass Spectrometry: Complex Analysis01:21

Mass Spectrometry: Complex Analysis

830
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...
830
High-Resolution Mass Spectrometry (HRMS)01:15

High-Resolution Mass Spectrometry (HRMS)

1.5K
The resolution of a mass spectrometer depends on the efficiency of separating ions with different ion masses. The mass of an atom is approximated to the sum of the masses of protons and neutrons inside, considering the masses of protons and neutrons as equal. However, the masses of the proton (1.6726 × 10−24 g) and neutron (1.6749 × 10−24 g) are not truly equal. There is a minor error in the expression of atomic masses relative to the simplest atom of hydrogen. For...
1.5K
Mass Spectrometry: Molecular Fragmentation Overview01:20

Mass Spectrometry: Molecular Fragmentation Overview

3.3K
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...
3.3K
Mass Spectrum: Interpretation01:24

Mass Spectrum: Interpretation

1.3K
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...
1.3K
Mass Spectrometers01:16

Mass Spectrometers

5.7K
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:
5.7K

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相关实验视频

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Single-throughput Complementary High-resolution Analytical Techniques for Characterizing Complex Natural Organic Matter Mixtures
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Single-throughput Complementary High-resolution Analytical Techniques for Characterizing Complex Natural Organic Matter Mixtures

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NOMspectra:一个开源的Python包,用于处理自然有机物质的高分辨率质谱数据.

Alexander Volikov1, Gleb Rukhovich1, Irina V Perminova1

  • 1Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow, Russia.

Journal of the American Society for Mass Spectrometry
|June 14, 2023
PubMed
概括

NOMspectra是一个新的Python包,它简化了对自然有机物 (NOM) 和湿性物质 (HS) 的复杂高分辨率质谱数据的处理. 它提供了分析,可视化和元素组成分配的工具,使复杂的数据更容易获得.

科学领域:

  • 环境化学环境化学
  • 分析化学 分析化学
  • 计算化学计算化学

背景情况:

  • 自然有机物 (NOM) 和湿性物质 (HS) 是复杂的混合物.
  • 高分辨率质谱 (HRMS) 为NOM/HS.生成复杂的数据模式.
  • 处理这些复杂的HRMS数据集需要专门的分析方法.

研究的目的:

  • 介绍NOMspectra,这是一个Python包,用于对NOM的HRMS数据分析.
  • 为处理,分析和可视化NOM/HS质谱提供全面的工作流.
  • 提高现场研究人员的可访问性和用户友好性.

主要方法:

  • 开发一个Python包,NOMspectra.
  • 实现用于光谱过和重新校准的算法.
  • 包括用于元素组成赋值和分子描述器计算的函数.
  • 集成数据可视化工具和图形用户界面 (GUI).

主要成果:

  • 对于处理复杂的NOM/HS HRMS数据,NOMspectra提供了一个强大的工作流.
  • 该包方便了光谱处理,重新校准和元素组成分配.
  • 包括计算分子描述符和高级数据可视化工具.

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Concentration of Metabolites from Low-density Planktonic Communities for Environmental Metabolomics using Nuclear Magnetic Resonance Spectroscopy
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MALDI-Mass Spectrometric Imaging for the Investigation of Metabolites in Medicago truncatula Root Nodules
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  • 一个用户友好的GUI提高了软件包的可访问性.
  • 结论:

    • NOMspectra提供了一种综合解决方案,用于分析复杂的自然有机物质质量谱数据.
    • 该软件包为NOM和HS研究提供了先进的HRMS数据分析.
    • 通过可访问的计算工具,更深入地了解NOM组成和属性.