Introduction to Untargeted Metabolomics.pdf
- 1. UNTARGETED METABOLOMICS © Creative Proteomics All Rights Reserved. € € € ‚ ƒ • Chromatographic separa�on • MS ioniza�on (nega�ve and posi- �ve modes) (EI, ESI, APCI, MALDI) • Mass detec�on Global metabolite extrac�on: a. Hydrophobic frac�on: C18 Column b. Hydrophiic frac�on: HILIC Column Deriva�za�on (op�onal) • Data preprocessing: noise filtering, reten�on �me correc�on, peak detec�on, chromatogram alignment, unknown features/metabolite iden�- fica�on • Data prepara�on: data integrity checking. data IS normaliza�on, compound name iden�fica�on Why choose it? „ € ‚ m/z Intensity † ‡ • PCA • Heat map • Box-whisker plot • Enrichment analysis • Correla�on analysis • Metabolic pathway ˆ‚ ˆ‰ ˆŠ ˆ ˆ ˆ ‹ ˆŒ ˆŽ ˆ‘’“““ ˆ” Why choose untargeted metabolomics? Contact Us