Table 2.
Putative assignments of the nodes from the V. vinifera molecular network.
| n. | Precursor Mass [M − H]− | Rt (min) | Putative Compound | Key Fragments | Relative Abundance |
|---|---|---|---|---|---|
| Polyphenols | |||||
| 1 | 482.96 | 5.07 | 1-O,6-O-Digalloyl-β-D-glucopyranose | 483; 301; 312; 271; 211 | Traces |
| 2 | 447.22 | 6.34 | Kaempferol-8-C-glucoside | 357; 327; 297; 285 | Traces |
| 3 | 789.63 | 6.63 | N.I. | 639; 613; 581; 477; 465; 463 | Traces |
| 4 | 447.16 | 7.60 | Luteolin-8-C-glucoside (Orientin) | 357; 339; 327; 299; 298; 297; 285 | Traces |
| 5 | 478.94 | 8.39 | Myricetin-3-O-beta-D-galactopyranoside | 479; 317; 316; 271; 270 | 0.1% |
| 6 | 447.03 | 8.47 | Luteolin-6-C-glucoside (Isoorientin) | 357; 339; 327; 299; 298; 297; 285 | 16.0% |
| 7 | 561.36 | 8.73 | N.I. | 449; 447; 357; 327; 301; 297 | Traces |
| 8 | 447.05 | 8.88 | Luteolin-6-C-glucoside (Isoorientin) | 357; 327; 299; 297; 285; | 4.9% |
| 9 | 447.00 | 9.16 | Luteolin-4-O-glucoside | 447; 327; 285; 284 | Traces |
| 10 | 431.03 | 9.45 | Apigenin-8-C-glucoside (Vitexin) | 377; 353; 341; 323; 311; 283; 282; 268 | 0.7% |
| 11 | 431.06 | 9.85 | Apigenin-6-C-glucoside (Isovitexin) | 341; 323; 311; 293; 283; 281; 269 | 13.2% |
| 12 | 499.07 | 10.02 | N.I. | 499; 323; 301; 300 | 0.1% |
| 13 | 477.03 | 10.10 | Quercetin-O-glucuronide | 477; 301; | 44.2% |
| 14 | 463.07 | 10.30 | Quercetin-3-O-glucoside (Isoquercitrin) | 463; 301; 300; 271; 255 | 3.3% |
| 15 | 447.06 | 10.62 | Biochanin A-7-glucoside (Astragaloside) | 447; 327; 285; 284 | 4.9% |
| 16 | 461.06 | 10.81 | Chrysoeriol 8-C-glucoside (Scoparin) | 371; 341; 326; 313; 299; 298 | Traces |
| 17 | 477.09 | 10.83 | Quercetin 3-O-glucuronide | 477; 302; 301; 214 | Traces |
| 18 | 447.00 | 10.95 | Luteolin-7-O-glucoside (Cynaroside) | 447; 327; 285; 284 | Traces |
| 19 | 505.57 | 11.04 | Quercetin-3-O-glucose-6″-acetate | 505; 301; 300; 271; 255 | Traces |
| 20 | 447.09 | 11.27 | Kaempferol-7-O-glucoside | 447; 357; 327; 285; 284; 255; 256; 227 | 0.3% |
| 21 | 505.37 | 11.29 | Quercetin-O-Acetyl hexoside | 302; 301; 300; 271; 255 | Traces |
| 22 | 462.98 | 11.31 | Quercetin-3-O-galactoside (Hyperoside) | 463; 301; 300; 271 | Traces |
| 23 | 593.15 | 11.54 | Kaempferol-3-O-(6-O-rhamnosyl-galactoside) | 285; 284; 257; 255 | Traces |
| 24 | 483.20 | 11.63 | Luteolin-C-hexoside | 483; 271 | Traces |
| 25 | 461.05 | 11.86 | Kaempferol 3-O-glucuronide | 285; 257; 228 | 0.6% |
| 26 | 447.08 | 11.94 | Kaempferol-3-O-glucoside | 447; 327; 284; 285; 255; 256; 227 | 2.4% |
| 27 | 517.06 | 12.35 | N.I. | 517; 355; 341 | Traces |
| 28 | 491.09 | 12.46 | Isorhamnetin-3(7)-O-glucuronopyranoside | 491; 315; 300 | 8.8% |
| 29 | 431.01 | 12.95 | Apigenin-7-O-glucoside | 431; 283 | Traces |
| 31 | 463.11 | 13.45 | Quercetin-7-O-glucoside | 300; 301 | Traces |
| 32 | 475.06 | 14.34 | 6-O-Methylscutellarin | 285; 284; 255; 256 | 0.3% |
| 33 | 639.15 | 15.22 | Quercetin-O-glucuronide-O-hexoside | 463; 301 | Traces |
| 34 | 477.06 | 16.24 | Isorhamnetin-O-glucoside | 477; 315; 314 | Traces |
| 35 | 461.37 | 18.96 | 4-(3,4-Dihydroxyphenyl)-5-beta-D-glucopyranosyloxy-7-methoxycoumarin | 299;284 | Traces |
| 36 | 449.26 | 19.90 | Isookanin-7-O-glucoside | 449; 431; 287; 269 | Traces |
| Digalactosylmonoacylglycerols | |||||
| 37 | 675.35 | 24.81 | DGMG 18:3 | 415; 397; 277; 235 | 97.1% |
| 38 | 699.34 | 25.54 | DGMG 20:5 | 653; 415; 397; 323; 255; 235 | Traces |
| 39 | 653.81 | 25.55 | DMGM 16:2 | 653; 415; 397; 277; 255; 235 | 2.9% |