Metabolomics - CERM
Metabolomics - CERM
Metabolomics - CERM
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2 Routes to <strong>Metabolomics</strong><br />
Two approaches:<br />
• Identify as many metabolites as possible<br />
• Use the whole spectrum as a fingerprint (statistics)<br />
ppm<br />
hippurate urea<br />
fumarate<br />
7<br />
6<br />
5<br />
ppm<br />
Quantitative<br />
methods<br />
hippurate<br />
allantoin<br />
creatinine taurine<br />
water<br />
4<br />
7<br />
TMAO<br />
3<br />
citrate<br />
2<br />
6<br />
creatinine<br />
1<br />
5<br />
2-oxoglutarate<br />
succinate<br />
4<br />
3<br />
2<br />
1<br />
Chemometric methods<br />
(fingerprinting and pattern recognition)<br />
25<br />
PC2<br />
20<br />
15<br />
10<br />
5<br />
0<br />
-5<br />
-10<br />
-15<br />
-20<br />
-25<br />
-30 -20 -10 0<br />
PC1<br />
10
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