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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