Table 1.
Identification of phytochemical constituents in seed extracts of three quinoa accessions (SPrecm, CHEN-33, and D-12175)
| Quinoa accessions | tR (min) |
Ion mode | Precursor ion peak (m/z) | ESI–MS-MS | Detected compounds | Type of compound | Molecular formula | Molecular weight (g/mol) | Abbreviations |
|---|---|---|---|---|---|---|---|---|---|
| SPrecm | 4.93 | + ve | 381.17 | 219.00, 201.00 | Cis-1,2-bis-[(E)-3,4-dimethoxystyryl]cyclobutane | Phenylbutenoid | C24H28O4 | 380.48 | 3,4-dmoCB |
| 4.59 | + ve | 365.17 | 203.00, 185.00 | Fructose | Saccharide | C6H12O6 | 180.16 | Fru | |
| 4.10 | + ve | 257.17 | 140.00 | Pinocembrin | Flavonoid | C15H12O4 | 256.25 | Pin | |
| 2.36 | + ve | 221.17 | 104.17, 60.00 | (z)-1-(2,4,5-trimethoxyphenyl)butadiene | Phenylbutenoid | C13H16O3 | 220.26 | Z-2,4-tmpBD | |
| 1.56 | + ve | 156.00 | 156.00, 74.08, 56.92 | Alanine | Amino acid | C3H7NO2 | 89.09 | Ala | |
| 17.27 | − ve | 377.17 | 179.00, 161.00 | Oleuropein aglycone | Phenolic | C19H22O8 | 378.4 | OA | |
| 15.13 | − ve | 279.25 | 261.17, 259.17, 243.00 | Paniculide C | Terpenoid | C15H18O5 | 278.30 | P_C | |
| 12.17 | − ve | 253.17 | 253.25, 193.00 | Chrysin | Flavonoid | C15H10O4 | 254.24 | Chr | |
| 11.27 | − ve | 121.00 | 120.92, 101.00 | 4-(1-Benzofuron-5-yl) benzaldehyde | Phenolic | C15H10O2 | 222.24 | 4,1-B-5-BA | |
| CHEN-33 | 3.32 | + ve | 381.17 | 219.00, 200.00 | Cis-1,2-bis-[(E)-3,4-dimethoxystyryl]cyclobutane | Phenylbutenoid | C24H28O4 | 380.48 | 3,4-dmoCB |
| 2.98 | + ve | 284.33 | 85.00, 268.25, 266.00 | Luteolin | Flavonoid | C15H10O6 | 286.24 | Lut | |
| 2.43 | + ve | 257.17 | 140.00 | Pinocembrin | Flavonoid | C15H12O4 | 256.25 | Pin | |
| 1.47 | + ve | 156.00 | 156.00, 74.00, 56.92 | Alanine | Amino acid | C3H7NO2 | 89.09 | Ala | |
| 9.64 | − ve | 393.33 | 393.33, 375.33, 313.00 240.92 | Sodium ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxtetrahydrofuran-2-yl)methyl hydrogen phosphate | Flavonoid | C26H36O6 | 438.5 | S-dhy-mHP | |
| 8.30 | − ve | 377.17 | 178.92, 160.92 | Oleuropein aglycone | Phenolic | C19H22O8 | 378.4 | OA | |
| 7.73 | − ve | 279.33 | 261.17, 259.33, 235.08 | Paniculide C | Terpenoid | C15H18O5 | 278.30 | P–C | |
| 7.22 | − ve | 255.25 | 237.08, 211.00 | Palmitic acid | Fatty acid | C16H32O2 | 256.42 | PA | |
| 7.11 | − ve | 241.25 | 241.33, 223.08, 209.00, 197.08 | Elenolic acid | Fatty acid | C11H14O6 | 242.22 | EA | |
| 6.49 | − ve | 121.00 | 121.08, 101.00 | 4-(1-Benzofuron-5-yl) benzaldehyde | Phenolic | C15H10O2 | 222.24 | 4,1-B-5-BA | |
| D-12175 | 6.64 | + ve | 917.72 | 636.58, 622.58, 317.25 | Quercetin | Flavonoid | C15H10O7 | 302.23 | Qur |
| 5.10 | + ve | 453.42 | 435.25, 421.25, 392.42, 371.42, 355.17 | 3-hydroxyphloretin-3’-C-glucoside | Terpenoid | C21H25O11 | 452.4 | hyP-3-C-Glu | |
| 4.79 | + ve | 437.42 | 407.25 and 303.17 | Kurarinone | Flavonoid | C10H14N5NaO7P | 370.21 | Kur | |
| 3.68 | + ve | 284.42 | 268.33, 266.17 | Luteolin | Flavonoid | C15H10O6 | 286.24 | Lut | |
| 2.19 | + ve | 199.00 | 199.17, 181.00, 134.92, 109.00 | Rosmarinic acid | Phenolic | C18H16O8 | 360.3 | RA | |
| 10.06 | − ve | 279.33 | 261.17, 259.17, 243.25 | Paniculide C | Terpenoid | C15H18O5 | 278.30 | P–C | |
| 9.52 | − ve | 255.33 | 237.17, 211.08 | Palmitic acid | Fatty acid | C16H32O2 | 256.42 | PA |