E-SGMN

In this study, an enhanced structure-guided molecular networking (E-SGMN) method was developed, which is specifically tailored for the Orbitrap Astral mass spectrometer (MS). Unlike previous network annotation methods, E-SGMN extracted both previously detected metabolites and those potentially detected by Astral from the metabolome database, enabling more efficient and accurate network construction through structural similarity. E-SGMN expands annotation coverage by accurately improving network size, while minimizing the inclusion of irrelevant compounds, achieving a balance between annotation scale and accuracy.