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関連する概念動画

Mass Spectrometry: Overview01:19

Mass Spectrometry: Overview

5.8K
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...
5.8K
Mass Spectrometers01:16

Mass Spectrometers

5.9K
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:
5.9K
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...
889
Mass Spectrometry: Molecular Fragmentation Overview01:20

Mass Spectrometry: Molecular Fragmentation Overview

3.6K
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...
3.6K
Mass Spectrum: Interpretation01:24

Mass Spectrum: Interpretation

1.6K
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...
1.6K
High-Resolution Mass Spectrometry (HRMS)01:15

High-Resolution Mass Spectrometry (HRMS)

1.6K
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...
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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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オープンソースシステムの適性: マススペクトロメトリクエリ言語ラボ (MassQLab)

Heather L Winter1, Dylan Johnson2, Alan K Jarmusch1

  • 1Metabolomics Core Facility, Immunity, Inflammation, and Disease Laboratory, Division of Intramural Research, National Institute of Environmental Health Sciences, National Institutes of Health, Research Triangle Park, Durham, North Carolina, USA.

Rapid communications in mass spectrometry : RCM
|September 2, 2025
PubMed
まとめ

MassQLabソフトウェアは,質量スペクトロメトリのためのシステムの適性テストを強化します. このオープンソースのツールは,メタボロミクス研究における分析性能とデータの信頼性を向上させます.

キーワード:
計算式質量スペクトロメトリデータサイエンスリピドミクスメタボロミクス品質評価について品質管理について

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Untargeted Metabolomics from Biological Sources Using Ultraperformance Liquid Chromatography-High Resolution Mass Spectrometry UPLC-HRMS
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Last Updated: Sep 9, 2025

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A Streamlined Approach for Mass Spectrometry-Based Proteomics Using Selected Tissue Regions
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科学分野:

  • 分析化学
  • メタボロミクス
  • マススペクトロメトリー

背景:

  • 再現可能な分析器具の性能は,特にメタボロミクスにおいて,質量スペクトロメトリにとって重要である.
  • システム適合性試験 (SST) は不可欠ですが,未充分に利用されており,研究のうち2%しか実施されていないと報告されています.
  • 質量スペクトロメトリーにおける柔軟でアクセシブルなSSTソリューションが必要である.

研究 の 目的:

  • マススペクトロメトリーにおけるシステムの適性試験のためのオープンソースソフトウェアであるMassQLabを導入する.
  • カスタマイズ可能なSSTのためのベンダーアグノスティックツールを研究者に提供する.
  • 分析性能の問題の特定と修正における MassQLab の有用性を実証する.

主な方法:

  • MassQLabは,オープンソースのベンダーアグノスティックな質量スペクトロメトリクエリ言語 (MassQL) に基づいています.
  • 研究者は,分析物,質量スペクトロメトリシステム (LC-MSを含む) および性能メトリックを定義することができます.
  • このソフトウェアは,SSTのためのMassQLクエリの構築を容易にする.

主要な成果:

  • MassQLabは抽出イオン染色体のような一般的な性能メトリックの使用を可能にします.
  • また,MS/MS製品イオンスペクトルなどの珍しいメトリックもサポートしています.
  • この研究では,サンプル分析の前にMassQLabの性能の欠陥を特定する能力が示されました.

結論:

  • MassQLabは,質量スペクトロメトリーにおけるシステムの適性試験のための柔軟なソリューションを提供します.
  • ソフトウェアは分析性能の欠陥を特定し,修正することができました.
  • オープンソースで適応可能な性質は,より広範な採用とSSTの実施の改善を促進します.