Table 1.
UHPLC-ESI-QqQ-MS/MS parameters for the identification and quantification of glucosinolates and isothiocyanates present in broccoli, red radish, white mustard, and red cabbage extracts.
| Compound | MRM Quantitative Transition | MRM Qualitative Transition | Fragmentation (V) | Collision Energy (eV) | ESI Mode |
|---|---|---|---|---|---|
| Aliphatic glucosinolates | |||||
| GR | 436.0 > 97.0 | 436.0 > 372.0 | 90 | 25 | Negative |
| GRE | 434.0 > 97.0 | 434.0 > 259.0 | 90 | 25 | Negative |
| GE | 420.0 > 97.1 | 420.0 > 259.0 | 60 | 20 | Negative |
| GI | 422.0 > 357.7 | 422.0 > 259.0 | 100 | 26 | Negative |
| GN | 372.0 > 97.0 | 372.0 > 259.0 | 90 | 25 | Negative |
| Indolic glucosinolates | |||||
| GB | 447.2 > 97.0 | 447.2 > 259.0 | 80 | 20 | Negative |
| MeGB Y | 477.0 > 97.0 | 477.0 > 259.0 | 90 | 25 | Negative |
| OHGB Y | Negative | ||||
| NeoGB | 463.0 > 97.0 | 463.0 > 259.0 | 90 | 25 | Negative |
| Aromatic glucosinolates | |||||
| GNS | 422.0 > 97.0 | 422.0 > 259.0 | 90 | 25 | Negative |
| GT | 408.0 > 97.0 | N.d. | 90 | 25 | Negative |
| GSB | 424.4 > 97.0 | 424.10 > 259.0 | 90 | 25 | Negative |
| Isothiocyanates | |||||
| SFN | 178.0 > 114.0 | 178.0 > 95.0 | 74 | 4 | Positive |
| SFE | 176.0 > 114.0 | N.d. | 75 | 20 | Positive |
| E | 141.0 > 59.0 | 161.0 > 70.0 | 70 | 6 | Negative |
| IB | 164.0 > 105.0 | N.d. | 90 | 6 | Positive |
| Indoles | |||||
| I3C | 130.0 > 77.0 | 247.0 > 130.0 | 70 | 25 | Positive |
GR, glucoraphanin; GRE, glucoraphenin; GE, glucoerucin; GI, glucoiberin; GN, gluconapin; GB, glucobrassicin; MeGB, Methoxy-glucobrassicin; OHGB, hydroxy-glucobrassicin; NeoGB, Neo-glucobrassicin; GNS, gluconasturtin; GT, glucotrapeolin; GSB, glucosinalbin; SFN, sulforaphane; SFE, sulforaphane; E, erucin; IB, iberin; I3C, Indole-3-carbinol; MRM, multiple reaction monitoring; ESI, electrospray ionization; N.d., not determined. Y coeluting compounds.