Table 1 List of ESI + metabolites, together with their MW, chromatographic retention time, Kegg and HMDB IDs and NMDB classification, when available.

From: Comprehensive biomarker profiles and chemometric filtering of urinary metabolomics for effective discrimination of prostate carcinoma from benign hyperplasia

ID

Compound

Molecular weight

RT

HMDB ID

KEGG ID

Classification

1

Pyroglutamic acid

129.0427

7.48

HMDB0000267

C02237

Alpha aminoacids and derivatives

2

Methoxy benzaldehyde

136.0527

8.76

HMDB0029686

C10761

Benzoyl derivative

3

Acetylcholine

145.1104

0.82

HMDB0000895

C01996

Organonitrogen compound

4

Guanine

151.0496

1.02

HMDB0000132

C00242

Imidazopyrimidines

5

N-acetyl threonine

161.0690

0.88

HMDB0062557

N.A

Threonine metabolite

6

(N1)-Acetylspermidine

188.1764

0.64

HMDB0001276

C00612

Polyamines derivative

7

Amino hydroxydecanoic acid

203.1524

7.39

N.A

N.A

 

8

4-methoxy-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol

208.1102

13.62

N.A

N.A

 

9

Dihydroxyl Indole O-Sulfate

229.0047

2.64

N.A

N.A

 

10

Androstenone/etiocholanolone

272.2141

14.01

HMDB0000031 /HMDB0000490

C00523/C04373

C21 steroids

11

N-(indol-3-acetyl) glutamine

303.1220

8.24

HMDB0013240

N.A

Aminoacids, peptides, and analogues

12

Methoxyphenylacetyl carnitine

309.1578

8.01

N.A

N.A

Carnitine cycle

13

Carnitine azelaic acid

331.1996

9.27

N.A

N.A

Carnitine cycle

14

Dihydrocortisol

364.2250

11.97

HMDB0003259

C05471

Hydroxysteroids

15

Xanthurenate-8-O-beta-d-Glucoside

367.0905

7.05

HMDB0013118

N.A

Tryptophan derivative

16

Dihydro(iso)ferulic acid glucuronide

372.1066

8.33

HMDB0041723

N.A

Organooxygen compounds

17

Dihydro(iso)ferulic acid glucuronide

372.1067

8.75

HMDB0041723

N.A

Organooxygen compounds

18

Carnitine derivative

399.2621

11.44

N.A

N.A

Carnitine cycle

19

Dodecanedioyl glucuronic acid

406.1838

11.22

N.A

N.A

 

20

5-Alpha-Dihydrotestosterone glucuronide

466.2566

14.01

HMDB0006203

N.A

C21 steroids

21

Tridecenoyl carnitine glucuronide

531.3056

13.88

N.A

N.A

Carnitine cycle

22

Urobilin

590.3110

12.03

HMDB0004160

C05794

Bilirubins

Back to article page