Table 1.
Quantitative evaluation of IM-MS of MC-MeOEt-ABA and comparison with GLC reference data. ESI-tims-ToF–MS, negative, ultra-mode, syringe infusion
| Position of MeOEt | MC1-MeOEt Mol % (GLC) | Relative portions of regioisomers (GLC) | Relative portions of regioisomers (IM-MS) (n = 2) | MC2-MeOEt Mol % (GLC) | MC2-MeOEt Mol % (IM-MS) (n = 2) | Relative portions of regioisomers (GLC) | Relative portions of regioisomers (IMS) (n = 3) |
|---|---|---|---|---|---|---|---|
| - | 8.9 | 29.3 | 29.1 | ||||
| 2 | 3.2 | 10.5 | 10.7 | 4.7 | 4.8 | 11.2 | 11.1 |
| 3 | 21.4 | 69.4 | 66.9 | 28.3 | 27.8 | 67.5 | 66.4 |
| 6 | 6.2 | 20.0 | 22.4 | 9.0 | 9.5 | 21.3 | 22.5 |
| 23 | 15.9 | 38.9 | 41.3 | 10.1 | 10.1 | 42.3 | 43.2 |
| 26 | 2.4 | 5.8 | 6.8 | 1.4 | 1.9 | 5.8 | 7.0 |
| 36 | 22.7 | 55.3 | 51.9 | 12.3 | 11.7 | 51.9 | 49.8 |
| 236 | 19.3 | 4.9 | 5.1 | ||||
| DS | 1.71 | 1.04 | 1.04 |