Data analysis strategies for targeted and untargeted LC-MS metabolomic studies: Overview and workflow

This review shows the steps involved in the data analysis workflow for both targeted and untargeted metabolomic studies. Especial attention is focused on the distinct methodologies that have been developed in the last decade for the untargeted case. Furthermore, some powerful and recent alternatives based on the use of chemometric tools will also be discussed. In general terms, this review helps researchers to critically explore the distinct alternatives for LC-MS metabolomic data analysis to better choose the most appropriate for their case study.