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Electronic Supplementary Material

Electronic Supplementary Material. Journal: Food Analytical Methods Determination of Small Phenolic Compounds in Tequila by Liquid Chromatography – Ion Trap Mass Spectrometry

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Electronic Supplementary Material

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  1. ElectronicSupplementary Material Journal: Food Analytical Methods Determination of Small Phenolic Compounds in Tequila by Liquid Chromatography – Ion Trap Mass Spectrometry Armando AlcazarMagana, KazimierzWrobel, Julio Cesar Torres Elguera, Alma Rosa Corrales Escobosa, KatarzynaWrobel* Chemistry Department, University of Guanajuato, 36000 Guanajuato, Mexico * Corresponding author. Phone: +52 473 7327555, Fax: +52 472 7326252, E-mail: katarzyn@ugto.mx

  2. Fig. 1S. Structures of phenoliccompoundsanalyzed

  3. Fig. 1S. Structures of phenoliccompoundsanalyzed (+)-Catechin(6); (-)-Epicatechin (10) Chlorogenic acid (5) Resorcinol (7) (R3=H) 4-Hydroxyphenylpropionic acid (19) (R3=OH) 3,4-Dihydroxyphenylpropionic acid (20) Coumarin (34) Catechol (13) Caffeine (33)

  4. 12.5 33 34 10 27 5 2.5 0 14 0 2 4 6 8 10 12 Time, min Fig.2S Extracted ion chromatograms obtained for the calibration solutions containing 34 compounds at two concentration levels: 1.0 and 2.5 mg l-1 each. Individual compounds are numbered according to Fig. 1S (a) negative ESI mode, extracted m/z values: 109, 121, 169, 167, 153, 289, 353, 137, 179, 181, 165, 147, 163, 151, 193, 223, 177, 197 (b) positive ESI mode, extracted m/z values: 195, 151, 147 (a) Intensity x 106 (b) Intensity x 107

  5. Table 1S. Analytical parameters evaluated for 34 phenolic compounds using HPLC-ESI-ITMS procedure. a- A – peak area, c – g l-1 b- relative standard deviation of the slope evaluated for three replicates of calibration, carried out in different days; c- on-column detection limit (pmol) evaluated based on S/N 3:1, as explained in the main text; d- on-column quantification limit (pmol) evaluated based on S/N 10:1; e- coefficient of variance evaluated based on 5 succesive replicates of calibration standard (0.1 mg l-1).

  6. Table 2S. Concentrations of individual phenolic compounds determined in white, rested and aged tequilas (B1 - B6, R1 - R12, A1 - A4, respectively); mean values for three replicates are presented in g l-1 and empty cells indicate that the compound was not detected.

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