Untargeted metabolomics is mainly conducted to comprehensively understand biochemical information of metabolism in organisms. Using liquid chromatography-mass spectrometry technology, almost all metabolites under certain physiological or other specific conditions can be qualitatively and quantitatively analyzed for the identification of different metabolites. https://www.creative-proteomics.com/services/untargeted-metabolomics.htm

1. UNTARGETED METABOLOMICS
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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?
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m/z
Intensity
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• PCA
• Heat map
• Box-whisker plot
• Enrichment analysis
• Correla�on analysis
• Metabolic pathway
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13. Why choose untargeted metabolomics?
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