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UNTARGETED METABOLOMICS
© Creative Proteomics All Rights Reserved.
    
      
     
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• 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

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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