Quantitative molecular networking to profile marine cyanobacterial metabolomes.

ABSTRACT: Untargeted liquid chromatography-MS (LC-MS) is used to rapidly profile crude natural product (NP) extracts; however, the quantity of data produced can become difficult to manage. Molecular networking based on MS/MS data visualizes these complex data sets to aid their initial interpretation. Here, we developed an additional visualization step for the molecular networking workflow to provide relative and absolute quantitation of a specific compound in an extract. The new visualization also facilitates combination of several metabolomes into one network, and so was applied to an MS/MS data set from 20 crude extracts of cultured marine cyanobacteria. The resultant network illustrates the high chemical diversity present among marine cyanobacteria. It is also a powerful tool for locating produce

SUBMITTER: Winnikoff JR 

PROVIDER: S-EPMC5105604 | biostudies-literature | 2014 Jan

REPOSITORIES: biostudies-literature