LC/MS and LC/MS/MS analysis of GEM metabolites
| Compound Name | Calculated M-Hm/z | Observed M-H m/z (% Relative Abundance) | Fragment Ions m/z (% Relative Abundance) | MS/MS Ions m/z (% Relative Abundance) |
|---|---|---|---|---|
| GEM | 249 | 249 (100) | 121 (15) | |
| 1-O-GlcUA-GEM | 425 | 425 (10) | N.D.1-150 | 249 (100), 175 (80), 121 (20) |
| 2′,5′-CH2OH-GEM | 281 | 281 (100) | N.D. | 152.5 (100) |
| 2′-CH2OH, 5′-COOH-GEM | 295 | 295 (100) | 121 (5) | 166.1 (100) |
| 4′-O-SO3-GEM | 345 | 345 (100) | 137 (2) | 265 (45), 216 (100), 137 (86) |
| 1-O-GlcUA, 5′-CH2OH-GEM | 441 | 441 (2) | 265 (100), 137 (8) | |
| 1-O-GlcUA, 4′-OH-GEM | 441 | 441 (10) | 265 (100) | 265 (20), 175 (80) |
| 4′-O-GlcUA-GEM | 441 | 441 (16) | 265 (100) | 265 (100), 175 (60), 137 (40) |
| 1-O-GlcUA, 5′-COOH-GEM | 455 | 455 (100) | 279 (10), 151 (2) | 279 (100), 175 (30) |
| 5′-COO-GlcUA-GEM | 455 | 455 (100) | 279 (15), 151 (2) |
Purified HPLC fractions were analyzed and found to produce the following ionization profiles. In some instances, MS/MS was used to increase the amount of fragmentation occurring with a particular compound.
↵1-150 N.D., not determined.