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Table 4 13/15 biomarker metabolites before/after post-hoc

From: An efficient post-hoc integration method improving peak alignment of metabolomics data from GCxGC/TOF-MS

Before

After

Name

CAS

Name

CAS

Acetophenone

98-86-2*

  

Palmitelaidic acid

82326-15-6*

  

N,N-Diethyl-1,1,1-trimethylsilylamine

996-50-9*

  

Tetradecanoic acid

104255-79-0*

  

L-Phenylalanine

107715-95-7*

  

Arachidonic acid

113516-18-0*

  

Ethanol

2916-68-9

L-Tyrosine

107716-01-8

  

L-Glutamic acid

107715-97-9

  

Propanedioic acid

18457-04-0

  

Butane

2568-90-3

Pyridine

110-86-1*

  

Cyclotrisiloxane, hexamethyl-

541-05-9*

  

Ethanamine

16654-64-1*

  

Dodecanoic acid

104255-77-8*

  

L-Lysine

107715-99-1

Sulfuric acid

85207-88-1

Pentasiloxane

141-63-9

  
  1. Peak alignment method EBM is applied to diet data with two group (HFD and LFD) and then SAM is applied to 49 globally aligned metabolites. By SAM, 13 biomarker metabolites are found. For 7 of them, the abundance of HFD is significantly higher than that of LFD (top 7 metabolites); Global post-hoc with cutoff 1=0.99 and cutoff 2=11 is applied to diet data with two group (HFD and LFD) and then SAM is applied to 44 globally aligned metabolites. By SAM, 15 biomarker metabolites are found. For 10 of them, the abundance of HFD is significantly higher than that of LFD (top 10 metabolites). Compared to the results before post-hoc, we got more biomarker metabolites. 10 common biomarker metabolites in both results are denoted by * right after the CAS name.