Notes on metabolomics¶
Edited for the Dorrestein Lab by Louis-Felix Nothias, Daniel Petras and Ricardo Silva on December 2016. Last edit on April 2017.
About the metabolomics workshop¶
In the following documentation, we are providing step-by-step tutorials to perform basic analysis of liquid chromatography coupled to tandem mass spectrometry data (LC-MS/MS). These tutorials can be employed to process untargeted metabolomics data, such as those generated for seed funded project.
- The GNPS web-platform will be used to generate a qualitative analysis of your sample LC-MS/MS data. Such as the annotation of known compounds (by MS/MS spectral matching with public library), along as annotating unknown compounds by molecular networking (by spectral similarity).
- And we will used MZmine2 to process LC-MS/MS data in order to generate a feature table. This feature table contains the list of detected compounds and their relative distribution accross samples. This feature table will be used to generate statistical analysis in Qiita.