Table 1 The retained beef associated colonic metabolites after multivariate statistical analysis and identity annotation using the Human Metabolome Database (HMDB).

From: Untargeted metabolomics of colonic digests reveals kynurenine pathway metabolites, dityrosine and 3-dehydroxycarnitine as red versus white meat discriminating metabolites

Metabolites (HMDB)

m/z

Adduct ion

Δppm

VIP

P-value

Area ratio

But-2-enoic acid

87.04448

H+

4.61

1.31

2.03E-5

0.49

3-Hydroxybutyric acid

105.05495

H+

2.91

1.42

3.32E-5

0.45

(±)-Furaneol

129.05450

H+

1.08

1.09

3.02E-5

0.63

Panto-/mevalonolactone

131.07030

H+

0.076

1.20

6.27E-14

0.66

2-Hexenyl formate

129.09102

H+

0.074

1.52

5.03E-8

0.46

3-Dehydroxycarnitine

146.11726

H+

2.12

2.37

1.82E-15

0.16

Pentylbenzene

149.13216

H+

2.28

1.37

2.19E-9

0.50

Indoleacetaldehyde

160.07542

H+

1.83

1.88

4.29E-4

0.17

2-Phenylpropionaldehyde dimethyl acetal

181.12192

H+

2.26

1.89

2.55E-13

0.38

4-Pyridoxic acid

184.06026

H+

1.03

1.49

4.33E-5

0.30

Kynurenic acid

190.04955

H+

1.80

1.23

8.25E-6

0.53

L-Kynurenine

209.09186

H+

1.11

1.48

7.99E-9

0.46

L-Kynurenine

207.07680

H

3.34

1.62

2.33E-7

0.39

Spermic acid 1

218.18567

H+

3.01

1.11

9.02E-6

0.45

N′-/L-formylkynurenine

237.08652

H+

2.05

1.69

4.66E-8

0.38

N′-/L-formylkynurenine

235.07198

H

1.82

1.70

2.36E-7

0.38

Hexanoylcarnitine

260.18500

H+

2.53

1.40

5.55E-4

0.015

Succinyl-/methylmalonylcarnitine

262.12766

H+

3.35

2.07

4.17E-9

0.023

Glutarylcarnitine

276.14352

H+

2.42

1.09

6.18E-5

0.33

Saccharopine

277.13831

H+

4.06

1.41

1.33E-4

0.51

15 (16)-epODE

295.22595

H+

2.86

1.49

2.66E-11

0.48

9 (S)-HPODE

313.23624

H+

3.57

1.22

4.89E-4

0.52

9,10/12,13-TriHOME

329.23303

H

0.89

1.48

2.05E-12

0.50

Dityrosine

359.12442

H

1.16

3.23

8.86E-8

0.021

  1. VIP = Variable Importance Plot, P-value = p-value between chicken and beef digestion samples, Area ratio = Average peak intensity of metabolite in chicken digestion samples/average peak intensity of metabolite in beef digestion samples.