Annotation is the process of assigning features in mass spectrometry metabolomics data sets to putative chemical structures or “analytes.” The purpose of this study was to identify challenges in the a

Figshare2025-07-22 更新20

Automated Annotation of Untargeted All-Ion Fragmentation LC–MS Metabolomics Data with MetaboAnnotatoR

代谢组学数据注释

LC-MS数据分析

Untargeted metabolomics and lipidomics LC–MS experiments produce complex datasets, usually containing tens of thousands of features from thousands of metabolites whose annotation requires additional M

NIAID Data Ecosystem20

IDSL.CSA annotation coverage for ST000929 and ST001000 study by DDA and CSA libraries

代谢组学数据注释

质谱数据分析

IDSL.CSA annotation coverage for ST000929 and ST001000 study by DDA and CSA libraries

Zenodo2023-01-12 更新50

Improved Annotation of Untargeted Metabolomics Data through Buffer Modifications That Shift Adduct Mass and Intensity

代谢组学数据注释

质谱加合物识别

Annotation of untargeted high-resolution full-scan LC-MS metabolomics data remains challenging due to individual metabolites generating multiple LC-MS peaks arising from isotopes, adducts, and fragmen

NIAID Data Ecosystem20