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相关概念视频

Inductively Coupled Plasma Atomic Emission Spectroscopy: Instrumentation01:26

Inductively Coupled Plasma Atomic Emission Spectroscopy: Instrumentation

225
Inductively coupled plasma (ICP) is the common plasma source used in atomic emission spectroscopy (AES), a technique that detects and analyzes various elements in a sample. This method is often called inductively coupled plasma atomic emission spectroscopy (ICP-AES).
There are three main types of inductively coupled plasma atomic emission spectroscopy  (ICP-AES) instruments: sequential, simultaneous multichannel, and Fourier transform instruments, with the latter being less commonly used....
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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...
1.0K
IR Spectrum Peak Splitting: Symmetric vs Asymmetric Vibrations01:08

IR Spectrum Peak Splitting: Symmetric vs Asymmetric Vibrations

1.0K
Identical bonds within a polyatomic group can stretch symmetrically (in-phase) or asymmetrically (out-of-phase). Similar to hydrogen bonding, these vibrations also influence the shape of the IR peak. Generally, asymmetric stretching frequencies are higher than symmetric stretching frequencies. For example, primary amines exhibit two distinct IR peaks between 3300–3500 cm−1 corresponding to the symmetric and asymmetric N-H stretching, while secondary amines exhibit a single...
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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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¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)01:20

¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)

1.1K
When proton-coupled carbon-13 spectra are simplified by a broadband proton decoupling technique, structural information about the coupled protons is lost. Distortionless enhancement by polarization transfer (DEPT) is a technique that provides information on the number of hydrogens attached to each carbon in a molecule. While the DEPT experiment utilizes complex pulse sequences, the pulse delay and flip angle are specifically manipulated. The resulting signals have different phases depending on...
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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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SpectraX:用于基于主要组件分析的光谱分析的简单工具.

Jian Yu1, Haidy Metwally1, Jennifer Kolwich1

  • 1Department of Chemistry, Queen's University, Kingston, Ontario K7L 3N6, Canada.

Journal of the American Society for Mass Spectrometry
|January 13, 2024
PubMed
概括

SpectraX是一个新的MATLAB应用程序,用于自动化质谱 (MS) 光谱分析,用于天然产品选. 它提高了从复杂数据中识别质量到电荷 (m/z) 特征的吞吐量和可靠性.

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科学领域:

  • 分析化学 分析化学
  • 生物化学 生物化学
  • 计算生物学 计算生物学

背景情况:

  • 直接/环境质谱 (MS) 对于天然产品查至关重要.
  • 手动光谱选限制了大规模数据分析中的吞吐量和可靠性.
  • 现有的方法往往缺乏自动化光谱分析能力.

研究的目的:

  • 开发一种用于分析复杂质谱谱光谱的自动化应用程序.
  • 提高天然产品选的效率和准确性.
  • 为快速识别质量到电荷 (m/z) 特性提供一个工具.

主要方法:

  • 开发SpectraX,一个基于MATLAB的应用程序.
  • 使用主要组件分析 (PCA) 进行数据集分析.
  • 设计用于识别自然产品识别的m/z特性的算法.

主要成果:

  • SpectraX能够快速分析质谱学光谱.
  • 该应用程序有效地在复杂数据中定位m/z特征.
  • PCA评分图表有助于数据集群和解释.

结论:

  • SpectraX为MS的光谱查提供了一个自动化解决方案.
  • 该工具显著提高了天然产品发现的吞吐量和可靠性.
  • 使用SpectraX进行的自动化分析可促进更快的代谢学和蛋白质学研究.