Table 1.
Mass spectral data and physicochemical characteristics of Cyanidin (Cy) and glycoside-derivates 1.
| Code | Name | [M]+ (m/z) | MS/MS (m/z) | Solubility (mg/mL) | LogP | Å2 |
|---|---|---|---|---|---|---|
| Cy | Cyanidin (anthocyanidin) | 287 | 0.049 | 3.05 | 114.3 | |
| Cy3A | Cy-3-arabinoside (pentose) | 419 | 287 | 0.41 | 1.06 | 173.21 |
| Cy3X | Cy-3-xyloside | 419 | 287 | 0.41 | 1.06 | 173.2 |
| Cy3G | Cy-3-glucoside | 449 | 287 | 0.6 | 0.39 | 193.4 |
| Cy3Ga | Cy-3-galactoside | 449 | 287 | -- | 0.24 | 193.4 |
| Cy3Aga | Cy-3-(6′′-acetyl)-galactoside | 491 | 287 | 0.39 | 0.82 | 199.5 |
| Cy3Sa | Cy-3-sambubioside | 518 | 287 | -- | -- | -- |
| Cy3,3′′MG | Cy-3-(3′′-malonyl)-glucoside | 535 | 287 | 0.47 | 0.68 | 236.8 |
| Cy3,6′′MG | Cy-3-(6′′-malonyl)-glucoside | 535 | 449/287 | 0.45 | 0.68 | 236.8 |
| Cy3Sa | Cy-3-sambubioside | 581 | 287 | 1.17 | -1.1 | 252.4 |
| Cy3dOXG | Cy-3-(dioxaloyl)-glucoside | 593 | 287 | 0.17 | 2.55 | 280.2 |
| Cy3R | Cy-3-rutinoside | 595 | 449/287 | 0.9 | −1.64 | 252.4 |
| Cy3XR | Cy-3-xylosylrutinoside | 727 | 581/287 | 2.52 | −2.1 | 311.3 |
| Cy3GR | Cy-3-glucosylrutinoside | 757 | 287/611 | 3.85 | −2.8 | 331.5 |
| Cy3,5GG | Cy-3,5-diglucoside | 611 | 449/287 | -- | −2.3 | 272.6 |
| Cy3So | Cy-3-sophoroside | 611 | 287 | -- | -- | 260 |
| Cy3Sa5R | Cy-3-sambubioside-5-rhamnoside | 727 | 581/433/287 | -- | -- | -- |
| Cy3So5R | Cy-3-sophoroside-5-rhamnoside | 757 | 611/433/287 | -- | -- | -- |
1 See abbreviations section for non-defined terms.