Untargeted Metabolomics Strategy VS Targeted Metabolomics Strategy

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UNTARGETED METABOLOMICS

TARGETED METABOLOMICS

Metabolomics can be divided into non-targeted and targeted metabolomics. Non-targeted metabolomics can analyze metabolites derived from the organisms comprehensively and systema�cally. It is an unbiased metabolomics analysis that can discover new biomarkers. Targeted metabolomics is the study and analysis of specific metabolites. Both have their own advantages and disadvantages, and are o�en used in combina�on for the discovery and accurate weight determina�on of differen�al metabolites, and in-depth research and analysis of subsequent metabolic molecular markers.

Targeted and non-targeted metabolomics take parts in food iden�fica�on, disease research, animal model verifica�on, biomarker discovery, disease diagnosis, drug development, drug screening, drug evalua�on, clinical research, plant metabolism research, microbial metabolism research.

Untargeted Metabolomics Strategy

Metabolite Extrac�on

Mass Spectrometry

Data Acquisi�on

Targeted Metabolomics Strategy

Metabolites Purifica�on

GC/LC

Intensity

Features Selec�on

m/z

Data Processing MS Analysis

Metabolites lden�fica�on Metabolites Quan�ta�on

Features

Data Interpreta�on

Untargeted Metabolomics

Discovery Hypothesis genera�ng

Globalmetabolomics profling

Metabolomics fingerprin�ng

Metabolomics footprin�ng

Classifica�on/ forming metabotypes

Qualita�ve iden�fica�on

Rela�ve quan�fica�on > 1000s metabolites measured No chemical commercial standartrequired

Data Acquisi�on

Sample Preparation

Data Acquisition

Data Processing

Data Interpretation

Global metabolite extrac�on: a Hydrophobic frac�on: C18 Column b. Hydrophiic frac�on: HILIC Column Deriva�za�on (op�onal)

Chromatographic separa�on MS ioniza�on (nega�ve and posi�ve modes) (EI, ESI, APCI, MALDI) Mass detec�on

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 normalzasyon, compound name iden�fica�on Sta�s�cal analysis

Data Interpreta�on

Targeted Metabolomics

Valida�on Hypothesis driven Absolute quan�fica�on of spesific features

Valida�on of iden�fied feature (Requires commercially available chemicalstandart for valida�on)

Metabonomics ~20 metabolites measured

Extrac�on procedure for spesific metabolites

Chromatographic separa�on MS ioniza�on (nega�ve and posi�ve modes) (EI, ESI, APC, MALDI)

Mass detec�on Mul�ple Reac�on Monitoring (MRM)

Data preprocessing Sta�s�cal analysis Absolute quan�ta�on of metabolite concentra�ons

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