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相关概念视频

Tandem Mass Spectrometry01:21

Tandem Mass Spectrometry

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...

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相关实验视频

Updated: Jun 21, 2026

Untargeted Metabolomics from Biological Sources Using Ultraperformance Liquid Chromatography-High Resolution Mass Spectrometry UPLC-HRMS
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TraceMetrix:一个可追溯的代谢学互动分析平台.

Wei Chen1, Yanpeng An2, Ziru Chen3

  • 1Bio-Med Big Data Center, Shanghai Institute of Nutrition and Health, University of Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai, 200031, China.

Journal of cheminformatics
|September 30, 2025
PubMed
概括
此摘要是机器生成的。

TraceMetrix通过为数据分析提供交互式可追溯性来增强代谢学研究. 这种基于网络的平台通过在整个分析管道中跟踪数据,软件和参数来提高可重现性.

关键词:
互动分析平台 互动分析平台代谢学 代谢学 代谢学可复制性 可复制性可以追溯的可追溯.

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科学领域:

  • 生物信息学是一种生物信息学.
  • 计算生物学 计算生物学
  • 代谢学 代谢学 代谢学

背景情况:

  • 代谢学数据分析面临着数据共享和透明度方面的挑战,阻碍了可重现性.
  • 现有的生物信息学工具提供了部分解决方案,但要充分发挥潜力,需要简单和清晰.

研究的目的:

  • 介绍TraceMetrix,一个基于Web的平台,用于在代谢学数据分析中的交互式可追溯性.
  • 提高代谢学工作流程的可复制性和操作清晰度.

主要方法:

  • 开发了一个基于Web的平台 (TraceMetrix),用于灵活的数据管理和跟踪.
  • 在四个分析模块中记录了软件和参数:预处理,清洁,统计和功能分析.
  • 绘制了19个分析函数的上游/下游关系,确保端到端的可追溯性.

主要成果:

  • 使用非向的代谢学数据集证明了TraceMetrix的可追溯功能.
  • 成功优化参数选择和复制分析过程.
  • 验证了原始研究结果,证实了平台的有效性.

结论:

  • TraceMetrix集成了数据,软件和过程可追溯性,显著提高了代谢学中的可复制性.
  • 该平台支持各种应用程序,可免费使用.
  • 通过高性能计算集群促进大规模数据集的高效批处理.