Table 3.

Metabolites associated with quartiles of sugar-sweetened beverage (SSB) intake, selected via least absolute shrinkage and selection operator (LASSO) regression.

-	Feature Characteristics and Annotation Methods					LASSO Parameters
	Ion Acquisition Mode	Retention Time (min)	m/z	Annotation Method	Level of Confidence	Selection	β a
Girls (n = 128)
5-methyl-tetrohydrofolate (THF)	+	3.63	460.194	In-house library	Level 1	96	−0.508
Urate	+	1.00	169.037	In-house library	Level 1	96	0.576
Unknown	+	9.54	920.466			95	−0.467
Phenylephrine	+	0.94	168.102	In-house library	Level 1	95	0.419
Unknown	+	29.63	647.560			94	−0.346
Unknown	−	0.79	195.810			93	0.399
Unknown	+	24.97	810.597			90	−0.348
Unknown	+	10.11	211.131			83	0.249
Unknown	+	22.22	435.271			81	−0.288
Nonanoate	−	18.33	157.123	In-house library	Level 1	81	0.287
Unknown	−	18.57	473.275			80	0.335
Unknown	−	8.47	516.006			78	−0.247
Unknown	+	22.91	359.317			77	−0.238
Unknown	+	19.33	501.317			76	−0.241
Unknown	−	16.19	398.036			75	0.265
Deoxyuridine	+	1.67	251.066	In-house library	Level 1	75	0.257
Unknown	+	19.80	588.318			73	−0.269
Unknown	−	20.63	584.236			73	0.198
Unknown	+	25.07	1614.146			72	−0.216
Sn-glycero-3-phosphocholine	+	0.61	258.111	In-house library		71	0.192
Boys (n = 114)
2-piperidinone	+	2.68	100.077	In-house library	Level 1	96	0.45
Unknown	−	12.73	430.015			91	0.36
Unknown	+	18.77	455.202			91	0.45
Unknown	+	7.82	279.171			90	0.51
Octanoylcarnitine	+	25.31	752.562	In-house library	Level 1	86	−0.42
Unknown	+	11.65	311.147			86	−0.38
Catechol	−	2.50	109.029	In-house library	Level 1	82	0.35
Unknown	−	24.00	883.537			81	0.30
Unknown	+	14.05	793.411			77	−0.28
Unknown	+	22.91	471.353			75	0.24
Unknown	+	12.03	1238.497			75	−0.37

^a Estimates are adjusted for age and pubertal status (breast and pubic hair for girls; testicular volume and pubic hair for boys).