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Table 2 Tentative identification of urinary biomarkers showing differences between malaria patients and healthy controls using UHPLC-HRMS

From: A metabolomic analytical approach permits identification of urinary biomarkers for Plasmodium falciparum infection: a case–control study

Metabolite MW (Da)

Tentative identification

HMDB ID

Formula

RT (min)

q value

Fold change

Pathway/process

Confirmation of identity

60.0325

Urea

HMDB00294

CH4N2O

1.45

2.51E−05

1.70

Arginine and proline metabolism, urea cycle [1, 2]

(a)

76.0160

Glycolic acid

HMDB03035

C2H4O2

3.88

1.50E−02

1.34

Glyoxylate and dicarboxylate metabolism [1]

(a)

101.5395

Unknown

–

–

1.51

1.83E−04

8.03

–

–

113.0589

Creatinine

HMDB00562

C4H7N3O

3.11

1.43E−02

1.13

Arginine and proline metabolism [1]

(a, c)

118.0266

Succinic acid

HMDB00254

C4H6O4

3.08

4.99E−02

1.08

Tricarboxylic acid cycle, Propanoate metabolism [1, 2]

(a, c)

119.0582

l-Threonine

HMDB00167

C4H9NO3

6.53

4.08E−04

3.02

Aminoacyl-tRNA biosynthesis [1, 2]

(a, c)

125.0147

Taurine

HMDB00251

C2H7NO3S

4.29

2.96E−05

5.39

Taurine metabolism, Nitrogen metabolism [1]

(a, c)

128.0837

1,3-Diacetylpropane

HMDB29165

C7H12O2

6.46

7.62E−04

35.89

Polyamine metabolism [2]

(a)

129.0790

Pipecolic acid

HMDB00070

C6H11NO2

2.18

3.28E−02

1.34

Lysine degradation [1]

(a)

130.1106

N-Acetylputrescine

HMDB02064

C6H14N2O

6.62

3.23E−04

1.69

Arginine and proline metabolism [1, 2]

(a, b)

139.0633

3,4-Dihydroxybenzylamine

HMDB12153

C7H9NO2

3.25

7.57E−04

2.00

Not available

(a)

162.0528

3-Hydroxyadipic acid

HMDB00345

C6H10O5

1.50

2.66E−05

3.40

Fatty acid metabolism [1]

(a)

172.0736

2-Octenedioic acid

HMDB00341

C8H12O4

6.46

1.52E−04

7.20

Fatty acid metabolism [1]

(a, b)

174.1546

N-Acetylasparagine

HMDB06028

C6H10N2O4

3.61

7.33E−06

2.27

Asparagine catabolism [1]

(a)

187.1685

N-Acetylspermidine

HMDB01276

C9H21N3O

11.90

9.18E−05

1.72

Polyamine metabolism [1, 2]

(a, b)

188.0797

N-Acetylglutamine

HMDB06029

C7H12N2O4

3.59

2.30E−04

3.33

Not available

(a)

188.1525

Trimethyl-l-lysine

HMDB01325

C9H20N2O2

7.41

9.44E−07

2.60

Carnitine biosynthesis [1]

(a)

195.0532

3-Hydroxyhippuric acid

HMDB06116

C9H9NO4

4.05

2.05E−03

-3.00

Fatty acid metabolism [1]

(a)

208.0955

Unknown

–

–

6.80

1.46E−03

4.44

–

 

209.0434

Unknown

–

–

1.41

3.80E−07

2.18

–

 

210.0528

Vanilpyruvic acid

HMDB11714

C10H10O5

1.46

1.56E−03

4.36

 Vanilactic acid biosynthesis [1]

(a)

212.0794

Unknown

–

–

3.88

1.43E−05

3.36

–

–

217.1063

Alanyl-glutamine

HMDB28685

C8H15N3O4

6.87

2.45E−05

5.45

Protein catabolism [1]

(a)

244.0694

Uridine

HMDB00296

C9H12N2O6

1.64

6.83E−07

1.63

Pyrimidine metabolism [1, 2]

(a, c)

252.1222

Prolyl-Histidine

HMDB29019

C11H16N4O3

2.93

8.29E−05

5.86

Protein catabolism [1]

(a)

268.0808

Inosine

HMDB00195

C10H12N4O5

1.42

2.17E−06

2.62

Purine metabolism [1, 2]

(a, c)

281.1124

1-Methyladenosine

HMDB03331

C11H15N5O4

5.68

8.07E−05

1.51

Not available

(a)

282.0961

1-Methylinosine

HMDB02721

C11H14N4O5

1.78

1.26E−03

2.15

Not available

(a)

285.0961

N4-Acetylcytidine

HMDB05923

C11H15N3O6

1.56

5.76E−05

3.37

Degradation of transfer ribonucleic acid (tRNA) [1]

(a)

  1. RT retention time, MW molecular weight, q value is the adjusted Student’s t test p value using false discovery rate (FDR), the positive value of fold change means a higher level of metabolite in malaria patients compared to healthy controls, whereas the negative value represents a lower level of metabolite. Pathway existence: [1] human and [2] P. falciparum. The identity of biomarkers was confirmed using (a) exact mass and/or RT matched with database, (b) MS/MS spectra matched with reference spectra and/or (c) MS/MS spectra matched with spectra of authentic standards
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Malaria Journal

ISSN: 1475-2875

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