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Table 1 Identified metabolites from post-prostatic palpation urine

From: Identification of metabolites from 2D 1H-13C HSQC NMR using peak correlation plots

Metabolite

Selected peak ( 1H/ 13C) [ppm]

Cutoff

Number of correlating peaks (found/expected)

Trigonelline

9.12 / 148.4

0.9

5 / 5

Hippuric acid

7.82 / 129.6

0.9

4 / 4

Indoxyl sulphate

7.69 / 119.9

0.8

4 / 5

Phenylacetylglutamine*

7.41 / 131.5

0.8

8 / 8

trans-Aconitic acid

6.58 / 133.5

0.74

3 / 2

Levoglucosan

5.45 / 104.0

0.883

9 / 7

Carnitine**

4.56 / 66.8

0.7

4 / 4

Creatine

3.92 / 56.5

0.9

2 / 2

Mannitol

3.80 / 72.0

0.9

4 / 4

Erythritol

3.69 / 74.9

0.867

3 / 3

Galactitol

3.66 / 72.6

0.65

3 / 3

Glycine

3.56 / 44.2

0.8

1 / 1

Taurine

3.44 / 38.0

0.9

2 / 2

4-Hydroxyphenylacetic acid

3.44 / 46.1

0.9

3 / 3

Methanol

3.36 / 51.6

0.8

1 / 1

1-Methyluric acid

3.28 / 30.3

0.8

1 / 1

Betaine

3.26 / 55.8

0.8

2 / 2

TMAO

3.26 / 62.0

0.8

1 / 1

Ethanolamine

3.14 / 44.2

0.85

2 / 2

Isocitric acid

2.98 / 51.6

0.8476

5 / 4

Dimethylamine

2.72 / 37.4

0.8

1 / 1

Citric acid

2.54 / 48.1

0.899

2 / 2

Succinic acid

2.40 / 36.7

0.8

1 / 1

Glutamine

2.14 / 29.0

0.8

3 / 3

Acetic acid

1.92 / 26.1

0.8

1 / 1

Spermine

1.81 / 25.4

0.9

5 / 5

Lysine

1.70 / 29.0

0.7

5 / 6

Adipic acid

1.54 / 28.3

0.83

2 / 2

3-Hydroxyisovaleric acid

1.26 / 30.6

0.8

2 / 2

3-Aminoisobutanoic acid

1.20 / 17.6

0.8

4 / 4

  1. *NMR data not reported in HMDB. Correlating 1H signals compatible with literature values [19].
  2. **HSQC data not available in HMDB, compared to data from YMDB [20].