GNPS_High-throughput Saccharomyces cerevisiae cultivation method for credentialing-based untargeted metabolomics _SupplementaryFiles

Credentialing-based HILIC and Lipids analysis following the PAVE approach (https://doi.org/10.1021/acs.analchem.8b03132).
The HILIC-based LC-MS analysis was performed with the method of Blazenovic et al., (2019)(https://doi.org/10.1021/acs.analchem.8b04698). The RP-based LC-MS lipid analysis was conducted using the method of Barupal et al., (2018)( https://doi.org/10.1038/sdata.2018.263) with adapted DDA parameters (AGC target of 1e6 and maximum injection time of 70 ms)
- Raw files for the HILIC BEH for the negative ionization mode (HILIC_neg_overall_lcms)
- Raw files for the HILIC BEH for the positive ionization mode (HILIC_pos_overall_lcms)
- Raw files for the HILIC BEH for the negative ionization mode for the succinate quantification (HILIC_neg_succinate_lcms)
- Raw files for the RP lipids analysis for the negative ionization mode ((RP_neg_overall_lcms)
- Raw files for the RP lipids analysis for the positive ionization mode (RP_pos_overall_lcms)
- Parsed files (.mat) for the MATLAB-based analysis with PAVE (PAVE_M)
- Pre-screening with Shinyscreen for MS1/MS2 alignment and MS2 extraction for the HILIC data analysis for both ionization modes (positive and negative) and both experimental setups (SF and D48). The automatically extracted MS2 spectra are used for the annotation using MetFrag (PreeScreen_Shiny)