MEMO: Mass Spectrometry-Based Sample Vectorization to Explore Chemodiverse Datasets.

ABSTRACT: In natural products research, chemodiverse extracts coming from multiple organisms are explored for novel bioactive molecules, sometimes over extended periods. Samples are usually analyzed by liquid chromatography coupled with fragmentation mass spectrometry to acquire informative mass spectral ensembles. Such data is then exploited to establish relationships among analytes or samples (e.g., via molecular networking) and annotate metabolites. However, the comparison of samples profiled in different batches is challenging with current metabolomics methods since the experimental variation-changes in chromatographical or mass spectrometric conditions - hinders the direct comparison of the profiled samples. Here we introduce MEMO-MS2 BasEd SaMple VectOrization-a met

SUBMITTER: Gaudry A 

PROVIDER: S-EPMC9580960 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature