Supplementary Materials Evaluating Quality Parameters, the Metabolic Profile, and Other Typical Features of Selected Commercial Extra Virgin Olive Oils from Brazil Aline Gabrielle Alves de Carvalho 1, Lucía Olmo-García 2, Bruna Rachel Antunes Gaspar 1, Alegría Carrasco-Pancorbo 2,*,†, Vanessa Naciuk Castelo-Branco 3,† and Alexandre Guedes Torres 1, † 1 Laboratory of Nutritional Biochemistry and Food Science, Lipid Biochemistry and Lipidomics Laboratory, Institute of Chemistry, Federal University of Rio de Janeiro, Rio de Janeiro 21941-902, Brazil; [email protected] (A.G.A.d.C.); [email protected] (B.R.A.G.); [email protected] (A.G.T.) 2 Department of Analytical Chemistry, Faculty of Sciences, University of Granada, Ave. Fuentenueva s/n, E-18071 Granada, Spain; [email protected] (L.O.-G.); [email protected] (A.C.-P.) 3 Laboratory of Food Biotechnology, Fluminense Federal University, Niteroi 24230-340, RJ, Brazil; [email protected] (V.N.C.-B) * Correspondence: [email protected]; Tel.: +34-958-242-785 † These authors contributed equally to this work. 1 Figure S1a. Representative extracted ion chromatograms (EIC) of the studied EVOOs determined by RP-LC-MS. 1. Quinic acid; 2. Hydroxytyrosol; 3. Eudesmic acid; 4. Tyrosol; 5. Vanillic acid; 6. Decarboxymethyl elenolic acid; 7. p-Coumaric acid; 8. Vanillin; 9. Ferulic acid; 10. Desoxy elenolic acid; 11. Hydroxy elenolic acid; 12. Hydroxytyrosol acetate; 13. Elenolic acid; 14. Hydroxy decarboxymethyl oleuropein aglycone; 15. Decarboxymethyl oleuropein aglycone (isomer 1); 16. Luteolin; 17. Decarboxymethyl oleuropein aglycone (isomer 2); 18. Syringaresinol; 19. Oleuropein aglycone (isomer 1); 20. Pinoresinol; 21. 10-Hydroxy oleuropein aglycone 1; 22. Oleuropein aglycone (isomer 2); 23. 10-Hydroxy oleuropein aglycone (isomer 2); 24. Acetoxypinoresinol; 25. Apigenin; 26. 10-Hydroxyoleuropein aglycone (isomer 3); 27. Naringenin; 28. Decarboxymethyl ligstroside aglycone; 29. Diosmetin; 30. Ligstroside aglycone (isomer 1); 31. Methyl decarboxymethyl oleuropein aglycone (isomer 1); 32. Ligstroside aglycone (isomer 2); 33. Dehydro oleuropein aglycone; 34. Methyl decarboxymethyl oleuropein aglycone (isomer 2); 35. Oleuropein aglycone (isomer 3); 36. Methyl oleuropein aglycone (isomer 1); 37. Methyl oleuropein aglycone (isomer 2); 38. Oleuropein aglycone (isomer 4); 39. Dehydro ligstroside aglycone. 40. Ligstroside aglycone (isomer 3); 41. Ligstroside aglycone (isomer 4); 42. Oleuropein aglycone (isomer 5); 43. Ligstroside aglycone (isomer 5). 44. Maslinic acid; 45. Betulinic acid; 46. Linolenic acid; 47. Oleanolic acid; 48. Palmitoleic acid; 49. Linoleic acid. 2 Figure S1b. Representative chromatograms of the studied EVOOs determined by NP-LC-DAD/FLD. DAD A- Phytosterols: 1A. Lupeol; 2A. β-Sitosterol + free sterols. Peak around 14-20 min does not interfere in phytosterols identification/quantification in any sample. DAD B - Chlorophylls a derivatives: 1B. Pyropheophytin a; 2B. Pheophytin a. DAD C - Chlorophylls b derivatives: 1C. Pyropheophytin b; 2C. Pheophytin b. DAD D – Carotenoid: 1D. Lutein. DAD E – Carotenoid: 1E. β-Carotene. FLD A - Tocopherols: 1A, FLD. α-Tocopherol; 2A, FLD. β-Tocopherol; 3A, FLD. γ-Tocopherol; 4A, FLD. δ-Tocopherol. 3 Table S1. Summary of data and references reporting the chemical profile and quality indices of Brazilian olive oils (OO), virgin olive oils (VOO) and extra virgin olive oils (EVOO). Types of olive Harvest Number of Components analyzed Olive varieties Production regions Reference. oil year(s) samples and quality indices1 2010 harvest, monovarietals: MGS Grappolo 561, Cornicabra, Tafahi 390, Grappolo 575, Arbequina, Alto D'Ouro, Negroa, MGS Fatty acids (8) VOO, Neblina and JB1 Southeast of Brazil: Mantiqueira 2010 [Ballus et al, 17 Phenolic compounds (4) experimental 2011 harvest, monovarietals: MGS Mariense mountain range (Minas Gerais) 2011 2014][7] Tocopherols (3) (Maria da Fé), Mission, Grappolo 575, Arbequina, Alto D'Ouro, Negroa, MGS Neblina and JB1 Monovarietals: Arbequina, Koroneiki, Southeast of Brazil: Minas Gerais VOO, 2011 [Ballus et al, Arbosana, Grappolo, Manzanilla, Coratina, South of Brazil: Rio Grande do 25 Phenolic compounds (19) experimental 2012 2015][15] Frantoio and MGS Mariense Sul and Santa Catarina Brazil: Southeast (Minas Gerais) Fatty acids (12) and South (Rio Grande do Sul). Total pigments (2) EVOO, Brazil, 2 [Borges et al, Monovarietal: Arbequina Spain: Granada, Jaén, Málaga, 2014/15 Quality indices experimental Spain, 9 2017a][16] Cádiz, Sevilla, Albacete, Oxidative stability Toledo, Valladolid and Lérida. Brazil: Southeast (Minas Gerais) and South (Rio Grande do Sul). Coenzyme Q10 EVOO, Brazil, 2 [Borges et al, Monovarietal: Arbequina Spain: Granada, Jaén, Málaga, 2014/15 Tocopherols (3) experimental Spain, 9 2017a][17] Cádiz, Sevilla, Albacete, Phenolic compounds (6) Toledo, Valladolid and Lérida. Tocopherols (3) Total pigments (2) OO, Monovarietals: Arbequina, Coratina, Frantoio South of Brazil: Rio Grande do Fatty acids (9) [Bruscatto et 2013/14 4 experimental and Koroneiki Sul Total phenolic al, 2017][18] compounds Quality indices 4 Fatty acids (12) Fatty acid alkyl esters Total pigments (2) Monovarietals: Arbequina, Grappolo, Southeast of Brazil: Minas Gerais Tocopherols (total) VOO, Koroneiki, and Coratina [Zago et al, and São Paulo 2016/17 12 Phenolic compounds (13) commercial Blends: Arbequina and Arbosana, 2019][19] South of Brazil: Paraná Volatile compounds (17) Arbequina and Grappolo Quality indices Antioxidant activity Sensory panel test Types of olive Harvest Number of Components analysed Olive varieties Production regions Reference oil year(s) samples and quality indices1 VOO, Monovarietals: Frantoio, Arbequina, Mission, Southeast of Brazil: Mantiqueira Not 8 Fatty acids (12) [Rodrigues et experimental Arbosana, Maria da Fé, Grappolo 541, and mountain range specified Volatile compounds (38) al, 2019][20] Ascolano 315 Quality indices Blend: Grappolo 541 and Arbequina Sensory test EVOO, Monovarietals: Arbequina, Arbosana, South of Brazil: Rio Grande do 2017 6 Fatty acids (11) [Crizel et al, experimental Coratina, Frantoio, Koroneiki, and Picual Sul 2018 Total pigments (2) 2020][21] Tocopherols (3) Phenolic compounds (19) Quality indices EVOO, Monovarietals: Arbequina, Empeltre, Southeast of Brazil: Minas Gerais 2015 24 Fatty acids (4) [Gonçalves et experimental Coratina, Grappolo, Koroneiki, and Maria Chemical stability during al, 2020][22] da Fé storage, by UV-Vis and NIR spectroscopy Quality indices* 1Quality indices: Free acidity, peroxide value, specific extinction coefficients. *Also included iodine value analysis. According to the nomenclature used by the authors of the cited contribution. When stated “experimental oils” indicates that the samples were obtained by using an Abencor or similar system. We have added the references 5 both with a number (as in the text of the manuscript) as well as with the name of the first author and year of publication, for ease of reading and finding information. References: Ballus, C.A. et al. Food Res. Int. 2014, 62, 74-83; Ballus, C.A. et al. Food chem. 2015, 170, 366-377; Borges, T.H. et al. Food chem. 2017a, 215, 454-462. Borges, T.H. et al. J. Food Compost. Anal. 2017b, 63, 47-54; Bruscatto, M.H. et al. Pesq. Agropec. Bras. 2017, 52(12), 1231-1240; Zago, L. et al. Food Res. Int. 2019, 126, 108588; Rodrigues, J.F. et al. Bragantia 2019, 78(4), 479-489; Crizel, R.L. et al. Eur J Lipid Sci Tech. 2020, 122(4), 1900347; Gonçalves, T.R. et al. Food Anal. Methods 2020, 13(1), 86-96. Table S2a. EVOOs minor components determined by RP-LC -MS (mg/kg). Brazilian cv. Arbequina Brazilian cv. Koroneiki Spanish cv. Arbequina Southeast South Southeast South Catalonia A B C D E B F C G H I J K L M Simple phenols, phenolic acids and related substances Quinic acid n.q. 0.13* n.d. 0.52 n.q. 0.29 0.16 0.04* 0.13* 0.18* n.d. n.d. n.d. n.d. n.d. Oxidized Hydroxytyrosol n.d. n.d. n.d. n.d. n.d. n.d. n.d. n.d. n.d. n.d. n.d. n.d. n.d. n.d. 0.07 Hydroxytyrosol 1.47* 3.57 n.q. 1.80 0.61 4.35 9.12 7.49 9.20 0.88* 2.20* 3.99 1.37 3.37 1.42 Eudesmic acid 0.94* 7.01 1.09* 7.34 1.70 8.59 8.12 1.46 1.52 n.d. 6.59 7.83 7.32* 7.07 6.85 Tyrosol 0.90* 1.38 0.72* 0.95 0.78* 1.38 2.88 2.68 2.74 2.75 2.71 2.43 1.38 2.78 0.98 Vanillic acid 0.77* 1.38 1.70* 0.38* 1.33* 0.66 0.53 1.14 0.66* 0.79 0.20 0.25* 0.35 0.16* 0.27* p-coumaric acid n.q. 0.49 0.10 n.d. n.d. n.d. 0.22 n.d. n.d. n.d. n.d. 0.21* 0.25* n.d. n.d. Vanillin 0.24 0.12 n.q. 0.03* n.q. 0.06* 0.06* n.d. n.d. n.d. 0.02 0.01 n.q. 0.19* 0.08* Ferulic acid n.d. n.d. n.d. n.d. n.d. 0.44* 0.39* n.d. n.d. n.d. n.d. n.d. n.d. n.d. n.d. Hydroxytyrosol acetate 1.41 9.38 0.62* 4.32* 0.50 1.24* 0.50* n.d. 1.19 0.52 1.29 2.38 1.61* 0.39 1.47* Total simple phenols, phenolic 5.73 23.5 4.23 15.3 4.92 17.0 22.0 12.8 15.4 5.12 13.0 17.1 12.3 14.0 11.1 acids and related substances Elenolic acid-related substances Decarboxymethyl elenolic acid 0.09 0.31 0.09* n.d. 0.04* 11.2 0.24 0.13 n.d. n.d. n.d. 0.22 n.d. 0.13 n.d. Desoxy elenolic acid 0.76* 0.68 n.d. 0.94 0.98 5.54* 3.88 2.78 3.25 1.88 0.20 0.77 0.20* 0.17* 0.14 Hydroxy elenolic acid 0.23* 0.10 0.18* 0.09 0.46 0.14 0.11 0.29 0.64 0.35 0.13 0.30 0.08 0.19 0.32 Elenolic acid 1.65* 0.75 3.36* 1.10 7.15* 4.30 4.21 4.05 7.92 3.05 0.86 2.40 0.78 1.76 1.64* Total elenolic acid-related 2.73 1.84 3.63 2.13 8.63 21.2 8.44 7.25 11.8 5.28 1.19 3.69 1.06 2.25 2.10 substances 6 Brazilian cv.