Table 4.

Known metabolites significantly correlated with MG boost among 71 menthol smokers.

m/z	RT	Metabolites	Adducts	Category	Δppm	q-value	PartialCorr
331.18	3.07	Menthol-glucuronide	[M-H]−	Prenol lipids	1	0.0040	0.53
640.29	5.52	S-(PGA2)-glutathione	[M-H]−	Carboxylic acids and derivatives	1	0.0042	-0.52
231.00	1.70	2,4-Dihydroxyacetophenone 5-sulfate	[M-H]−	Benzene and substituted derivatives	6	0.0199	0.42
205.10	0.36	L-Tryptophan	[M+H]+	Indoles and derivatives	8	0.0288	0.53
167.02	0.34	Uric acid	[M-H]−	Alkaloids and derivatives	7	0.0344	0.39
187.01	1.71	Benzyl sulfate	[M-H]−	Organic sulfuric acids and derivatives	5	0.0344	0.42
462.30	5.01	PC(O-12:0/O-1:0)	[M+Na]+	Glycerophospholipids	4	0.0344	−0.54
799.48	4.65	Thalicoside A	[M+H]+	Terpenoids	7	0.0344	-0.54
460.28	4.63	PE(P-16:0/0:0)	[M+Na]+	Glycerophospholipids	6	0.0364	−0.54
185.08	4.74	2-(1-Ethoxyethoxy)propanoic acid	[M+Na]+	Carboxylic acids and derivatives	7	0.0397	−0.53
585.27	3.95	Bilirubin	[M+H]+	Tetrapyrroles and derivatives	0	0.0408	0.52
189.00	1.71	Oxalosuccinic acid	[M-H]−	Carboxylic acids and derivatives	2	0.0472	0.41
792.60	8.48	PC(O-16:0/22:6)	[M+H]+	Glycerophospholipids	8	0.0480	0.49
567.27	4.87	2-deoxy-20-hydroxyecdysone 22-phosphate	[M+H]+	Sterol lipids	0	0.0485	−0.50
240.10	4.73	N-Ornithyl-L-taurine	[M+H]+	Carboxylic acids and derivatives	3	0.0491	−0.49
313.27	4.85	10-oxo-nonadecanoic acid	[M+H]+	Fatty acyls	0	0.0491	−0.51
481.32	5.00	20-hydroxyecdysone	[M+H]+	Sterol lipids	2	0.0491	−0.52
505.35	5.03	Isothankunic acid	[M+H]+	Prenol lipids	7	0.0491	−0.51
834.60	8.73	PC(22:2/16:1)	[M+Na]+	Glycerophospholipids	1	0.0491	0.45
544.34	5.03	LysoPC(20:4)	[M+H]+	Glycerophospholipids	0	0.0498	−0.48

^*q-value (corrected p-value) was computed based on two-way ANCOVA model adjusted for gender, race and cotinine levels. PartialCorr represents the correlation between 2^nd MG boost and the metabolites.