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Updated: Jan 10, 2026

Large Scale Non-targeted Metabolomic Profiling of Serum by Ultra Performance Liquid Chromatography-Mass Spectrometry UPLC-MS
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高通量质谱图书馆 通过NIST MSPepSearch在R中搜索小分子

Andrey Samokhin1,2, Mikhail Khrisanfov1,2

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

Journal of the American Society for Mass Spectrometry
|November 25, 2025
PubMed
概括

我们开发了mspepsearchr,这是用于质谱数据分析的R包. 它简化了将NIST库搜索集成到复杂的工作流中,提高了识别类固醇等化合物的效率.

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