Table 4.

Known metabolites significantly correlated with MG boost among 71 menthol smokers

m/zRTMetabolitesAdductsCategoryΔppmq-valuePartialCorr
331.183.07MG[M−H]−Prenol lipids10.00400.53
640.295.52S-(PGA2)-glutathione[M−H]−Carboxylic acids and derivatives10.0042−0.52
231.001.702,4-Dihydroxyacetophenone 5-sulfate[M−H]−Benzene and substituted derivatives60.01990.42
205.100.36l-Tryptophan[M+H]+Indoles and derivatives80.02880.53
167.020.34Uric acid[M−H]−Alkaloids and derivatives70.03440.39
187.011.71Benzyl sulfate[M−H]−Organic sulfuric acids and derivatives50.03440.42
462.305.01PC(O-12:0/O-1:0)[M+Na]+Glycerophospholipids40.0344−0.54
799.484.65Thalicoside A[M+H]+Terpenoids70.0344−0.54
460.284.63PE(P-16:0/0:0)[M+Na]+Glycerophospholipids60.0364−0.54
185.084.742-(1-Ethoxyethoxy)propanoic acid[M+Na]+Carboxylic acids and derivatives70.0397−0.53
585.273.95Bilirubin[M+H]+Tetrapyrroles and derivatives00.04080.52
189.001.71Oxalosuccinic acid[M−H]−Carboxylic acids and derivatives20.04720.41
792.608.48PC(O-16:0/22:6)[M+H]+Glycerophospholipids80.04800.49
567.274.872-deoxy-20-hydroxyecdysone 22-phosphate[M+H]+Sterol lipids00.0485−0.50
240.104.73N-Ornithyl-L-taurine[M+H]+Carboxylic acids and derivatives30.0491−0.49
313.274.8510-oxo-nonadecanoic acid[M+H]+Fatty acyls00.0491−0.51
481.325.0020-hydroxyecdysone[M+H]+Sterol lipids20.0491−0.52
505.355.03Isothankunic acid[M+H]+Prenol lipids70.0491−0.51
834.608.73PC(22:2/16:1)[M+Na]+Glycerophospholipids10.04910.45
544.345.03LysoPC(20:4)[M+H]+Glycerophospholipids00.0498−0.48
  • *q-value (corrected P value) was computed on the basis of two-way ANCOVA model adjusted for gender, race, and cotinine levels. Data significant at q < 0.05 after correcting for multiple testing. PartialCorr represents the correlation between the second MG boost and the metabolites.

  • Abbreviations: m/z, mass-to-charge ratio; RT, retention time.