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Table 2 Putative urinary metabolites identified by multivariate data analysis using metoprolol status as a classifier

From: Metabolomic profiling of metoprolol hypertension treatment reveals altered gut microbiota-derived urinary metabolites

IDNamem/zp (Corr) [1]ESIRT (min)AdductMassFormulaDelta (ppm)
1Pyrocatechol sulfate/catechol sulfate189.996− 0.309Neg0.386[M − H]−188.989C6H6O5S14
2Metoprolol267.184− 0.306Pos0.443[M + H]+268.191C15H25NO31
3Hydroxyhippuric acid195.054− 0.214Neg0.628[M − H] −194.046C9H9NO41
4Hippuric acid179.059− 0.338Neg0.643[M − H] −178.051C9H9NO30
5Unknown179.133− 0.305Neg0.671    
6Acetylmethylpyridine135.069− 0.350Neg0.686[M − H] −134.061C8H9NO1
7Methoxyspirobrassinol282.049− 0.355Pos0.729[M + H]+283.057C12H14N2O2S20
8Hydroxymetoprolol283.178− 0.398Pos0.743[M + H]+284.186C15H25NO41
9Methyluric acid182.045− 0.320Neg1.944[M − H] −181.037C6H6N4O31
10Quinic acid192.064− 0.293Neg2.116[M − H] −191.056C7H12O61
11Glucose/fructose/galactose/myo-inostitol180.064− 0.313Neg2.144[M − H] −179.056C6H12O60
12Dimethylphenol122.074− 0.406Neg2.159[M − H] −121.066C8H10O1
13Tigloidine/dumetorine/dihydrodioscorine223.158− 0.392Neg2.187[M − H] −222.150C13H21NO20
14Metoprolol acid267.146− 0.422Pos3.317[M + H]+268.154C14H21NO41
15Tigloidine/dumetorine/dihydrodioscorine223.158− 0.374Neg3.332[M − H] −222.150C13H21NO20
16Glutamine146.0690.350Neg1.065[M − H] −145.062C5H10N2O31
17Phenylacetylglutamine264.1110.321Neg1.065[M − H] −263.103C13H16N2O43
  1. Abbreviations: m/z mass to charge ratio, p (Corr) p value of the correlation, ESI electrospray ionization, RT (min) retention time in minutes, ppm parts per million