Table 1. MS/MS precursor ions/fragmentation ions and optimal ionisation parameters for individual ergot alkaloids.
| Com- pound |
Precursor ion m/z |
Fragmentation ion m/z |
Collision energy % |
Activation Q value |
Activation time ms |
Ion injection time ms |
Number of µ-scans |
Nebuliser voltage kV |
Capillary voltage V |
|---|---|---|---|---|---|---|---|---|---|
| Em | 326.2 [M+H]+ | 223.2, 197.2, 308.1 | 33 | 0.258 | 30 | 220 | 5 | 5 | 20.0 |
| Es | 548.2 [M+H]+ | 530.2, 268.1 | 27 | 0.242 | 30 | 215 | 5 | 5 | 19.0 |
| Et | 582.2 [M+H]+ | 564.1 | 24 | 0.257 | 30 | 225 | 5 | 5 | 23.0 |
| Eco | 562.2 [M+H]+ | 544.2, 268.1 | 26 | 0.255 | 30 | 220 | 5 | 5 | 24.0 |
| Ekr | 576.2 [M+H]+ | 558.2, 268.1 | 27 | 0.243 | 30 | 220 | 5 | 5 | 23.0 |
| Ecr | 610.2 [M+H]+ | 592.1, 268.1 | 27 | 0.248 | 30 | 230 | 5 | 5 | 33.5 |
| Emn | 326.2 [M+H]+ | 265.2, 223.2, 283.1 | 33 | 0.258 | 30 | 220 | 5 | 5 | 21.0 |
| Esn | 548.2 [M+H]+ | 530.2 | 21 | 0.260 | 30 | 225 | 5 | 5 | 33.5 |
| Etn | 582.2 [M+H]+ | 564.1 | 20 | 0.255 | 30 | 220 | 5 | 5 | 24.0 |
| Econ | 562.2 [M+H]+ | 544.2 | 20 | 0.261 | 30 | 225 | 5 | 5 | 23.0 |
| Ekrn | 576.2 [M+H]+ | 558.2 | 21 | 0.247 | 30 | 220 | 5 | 5 | 22.0 |
| Ecrn | 610.2 [M+H]+ | 592.2 | 20 | 0.240 | 30 | 210 | 5 | 5 | 32.0 |
Em=ergometrine, Es=ergosine, Et=ergotamine, Eco=ergocornine, Ekr=ergokryptine, Ecr=ergocristine, Emn=ergometrinine, Esn=ergosinine, Etn=ergotaminine, Econ=ergocorninine, Ekrn=ergokryptinine, Ecrn=ergocristinine