sgmns online with Winfy

We have hosted the application sgmns in order to run this application in our online workstations with Wine or directly.

Quick description about sgmns:

Large-scale metabolite annotation is a bottleneck in untargeted metabolomics. Here, we present a structure-guided molecular network strategy (SGMNS) for deep annotation of untargeted ultra-performance liquid chromatography-high resolution mass spectrometry-based metabolomics data. SGMNS used a global connectivity molecular network (GCMN), which was constructed by the structural similarity of metabolites. When the annotation was performed, experimental MS/MS spectra of known metabolites as seeds were assigned to corresponding neighbor metabolites in GCMN as their �pseudo� spectra, and the propagation was performed by searching predicted retention times, MS1 and �pseudo� spectra against metabolite features. Then, the annotated metabolite features were used as new seeds for annotation propagation again. A total of 2,041 metabolites were annotated from a pooled biological sample, and the annotation accuracy was > 83% with RSD < 2%.

Features:

• All five RAR files need to be downloaded.

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