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Updated: Jul 3, 2025

Standardized Identification of Compound Structure in Tibetan Medicine Using Ion Trap Mass Spectrometry and Multiple-Stage Fragmentation Analysis
09:24

Standardized Identification of Compound Structure in Tibetan Medicine Using Ion Trap Mass Spectrometry and Multiple-Stage Fragmentation Analysis

Published on: March 17, 2023

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一个光谱测试表明,MS/MS库中的碎片离子结构注释经常是不正确的

Lara van Tetering1, Sylvia Spies1, Quirine D K Wildeman1

  • 1Radboud University, Institute for Molecules and Materials, FELIX Laboratory, Toernooiveld 7, 6525ED, Nijmegen, The Netherlands.

Communications chemistry
|February 15, 2024
PubMed
概括

In silico MS/MS光谱预测对于识别未知的分子至关重要. 然而,这项研究表明,常见的in silico图书馆含有不正确的碎片离子结构,妨碍了准确的分子识别.

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