Table 2.

Significant metabolites identified through linear regression to BMI for both volunteer's ¹H‐NMR and UPLC‐MS urinary datasets

Metabolite	1H‐NMR urinary metabolites
	BMI association	Chemical shift, PPM (multiplicity)*	P‐value
N‐methyl nicotinate	↑	4.44 (s), 8.09 (t), 8.84 (t), 9.13 (s)	.000527
Hippurate	↑	3.98 (d), 7.54 (t), 7.65 (t), 7.84 (d)	.0322
Phenylacetylglutamine	↓	1.92 (m), 2.11 (m), 2.27 (m), 3.67 (m), 4.19 (m), 7.36 (t), 7.43 (t)	.0154

Metabolite	UPLC‐MS urinary metabolites
	BMI association	Molecular weight	P‐value
L‐Serine	↓	355.2	.00655
L‐Asparagine	↓	382.2	.0131
L‐Isoleucine	↓	381.19	.00726
D‐2‐aminobutyric acid	↓	353.23	.0489

N‐methyl nicotinate (NMNA) and hippurate were shown to be positively correlated with BMI while phenylacetylglutamine (PAG) demonstrated inverse correlation with BMI. All significant UPLC‐MS metabolites were negatively correlated with BMI. For ¹H‐NMR profiles, chemical shifts of each metabolite, and their corresponding multiplicity were used in the identification process. A significant P‐value threshold of .05 was chosen after calculating the false discovery rate (FDR).

*Multiplicity: s, singlet; d, doublet; t, triplet; m, multiplet.