Table S2. Retention time in the first (1tR) and second dimensions (2tR) obtained for toxic compounds and their respective internal standards determined by comprehensive two dimensional gas chromatography with time-of-flight mass spectrometric detection (GC×GC/TOFMS). Qualifiers and quantifier ions used in the identification and quantification, respectively, of toxic compounds of wine. Toxic 1tR (min); Qualifiers/ Internal 1tR (min); Qualifiers/ compound 2tR (s) quantifier standard 2tR (s) quantifier ions a ions Formaldehyde 14.00; 1.98 57; 126 Octanal Acetaldehyde 14.93; 2.14 71; 140 Octanal 19.46; 4.24 56; 84 Acrolein 14.82; 2.70 55; 83; 152 Octanal 3.26; 1.95 68 2-Furfurylthiol 26.01; 2.79 81; 114 Furfural 27.3; 2.38 96; 95 2-Furfurylthiol Ethyl 36.05; 1.93 62; 74; 89 28.35; 4.75 74; 87 carbamate a quantifier ion in bold
Table S2. Retention time in the first (1tR) and second dimensions (2tR) obtained for toxic compounds and their respective internal standards determined by comprehensive two dimensional gas chromatography with time-of-flight mass spectrometric detection (GC×GC/TOFMS). Qualifiers and quantifier ions used in the identification and quantification, respectively, of toxic compounds of wine. Toxic compound 1tR (min); 2tR (s) Qualifiers/ quantifier ions a Internal standard 1tR (min); 2tR (s) Qualifiers/ quantifier ions Formaldehyde 14.00; 1.98 57; 126 Octanal 19.46; 4.24 56; 84 Acetaldehyde 14.93; 2.14 71; 140 Octanal Acrolein 14.82; 2.70 55; 83; 152 Octanal 3.26; 1.95 68 2-Furfurylthiol 26.01; 2.79 81; 114 Furfural 27.3; 2.38 96; 95 2-Furfurylthiol Ethyl carbamate 36.05; 1.93 62; 74; 89 28.35; 4.75 74; 87 a quantifier ion in bold