High-resolution full mass and MS2 fragment data acquired from a major M5 GSH conjugate
| Ion | Observed m/z | Proposed Elemental Composition | Theoretical m/z | Δ |
|---|---|---|---|---|
| Da | Da | ppm | ||
| [M + 2H]2+ | 449.1278 | [C40H41F3N8O11S]2+ | 449.1278 | 0.0 |
| [M + H]+ | 897.2490 | [C40H40F3N8O11S]+ | 897.2484 | 0.7 |
| [M + H]+ MS2 CID fragments | 768.2064 | [C35H33F3N7O8S]+ | 768.2058 | 0.8 |
| 750.1959 | [C35H31F3N7O7S]+ | 750.1952 | 0.9 | |
| 624.1528 | [C30H25F3N5O5S]+ | 624.1523 | 0.8 | |
| 566.1814 | [C26H28N7O6S]+ | 566.1816 | −0.4 | |
| 432.0976 | [C18H18N5O6S]+ | 432.0972 | 0.9 | |
| 422.1290 | [C21H20N5O3S]+ | 422.1281 | 2.1 | |
| 288.0445 | [C13H10N3O3S]+ | 288.0437 | 2.8 |