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

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

ID	Name	m/z	p (Corr) [1]	ESI	RT (min)	Adduct	Mass	Formula	Delta (ppm)
1	Pyrocatechol sulfate/catechol sulfate	189.996	− 0.309	Neg	0.386	[M − H]−	188.989	C6H6O5S	14
2	Metoprolol	267.184	− 0.306	Pos	0.443	[M + H]+	268.191	C15H25NO3	1
3	Hydroxyhippuric acid	195.054	− 0.214	Neg	0.628	[M − H] −	194.046	C9H9NO4	1
4	Hippuric acid	179.059	− 0.338	Neg	0.643	[M − H] −	178.051	C9H9NO3	0
5	Unknown	179.133	− 0.305	Neg	0.671
6	Acetylmethylpyridine	135.069	− 0.350	Neg	0.686	[M − H] −	134.061	C8H9NO	1
7	Methoxyspirobrassinol	282.049	− 0.355	Pos	0.729	[M + H]+	283.057	C12H14N2O2S2	0
8	Hydroxymetoprolol	283.178	− 0.398	Pos	0.743	[M + H]+	284.186	C15H25NO4	1
9	Methyluric acid	182.045	− 0.320	Neg	1.944	[M − H] −	181.037	C6H6N4O3	1
10	Quinic acid	192.064	− 0.293	Neg	2.116	[M − H] −	191.056	C7H12O6	1
11	Glucose/fructose/galactose/myo-inostitol	180.064	− 0.313	Neg	2.144	[M − H] −	179.056	C6H12O6	0
12	Dimethylphenol	122.074	− 0.406	Neg	2.159	[M − H] −	121.066	C8H10O	1
13	Tigloidine/dumetorine/dihydrodioscorine	223.158	− 0.392	Neg	2.187	[M − H] −	222.150	C13H21NO2	0
14	Metoprolol acid	267.146	− 0.422	Pos	3.317	[M + H]+	268.154	C14H21NO4	1
15	Tigloidine/dumetorine/dihydrodioscorine	223.158	− 0.374	Neg	3.332	[M − H] −	222.150	C13H21NO2	0
16	Glutamine	146.069	0.350	Neg	1.065	[M − H] −	145.062	C5H10N2O3	1
17	Phenylacetylglutamine	264.111	0.321	Neg	1.065	[M − H] −	263.103	C13H16N2O4	3

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

ISSN: 1479-7364