Table 5.
Summary of groupings observed for LP3 in ESI − mode
| Group | Optimum 3 solvents | KM | KMD | H/C | O/C | DBE | Unique heteroatom classes |
|---|---|---|---|---|---|---|---|
| 1 |
3:1 MeOH:H2O 1:1 EtOH:H2O 1:1 MeOH:H2O |
478 to 1081 | − 0.47 to 0.22 | 0.3 to 2.1 | 0.01 to 1.2 | 0 to 49 | S0-1N1-5O>20 |
| 2 |
1:1 MeOH:H2O 1:3 MeOH:H2O 1:1 AcN:H2O |
279 to 643 | 0.2 to 0.5 | 0.4 to 2.3 | 0.02 to 1.2 | 0 to 34 | O4-17 |
| 3 |
1:1 acetone:H2O 1:1 MeOH:H2O 3:1 MeOH:H2O |
433 to 569 | 0.15 to 0.29 | 1.1 to 2.1 | 0.03 to 0.42 | 0 to 17 | N5O2-4 |
| 4 |
3:1 MeOH:H2O 1:1 acetone:H2O 1:1 AcN:H2O |
563 to 707 | 0.09 to 0.33 | 1.1 to 2.2 | 0.02 to 0.44 | 0 to 22 | N1O9-11, N3O1-10 |