Accurate masses of the molecular ions (MH+) of the GSH- and N-acetyl-GSH adducts of1in rat hepatocytes
Accurate mass measurements were obtained using high-resolution time of flight mass spectrometry on a Q-Tof II mass spectrometer. The suggested elemental composition and deviations from the calculated masses are also presented.
Compound/Metabolite | Measured Mass of MH+ Ions | Suggested Elemental Composition | Deviation from the Calculated Mass | ||||
|---|---|---|---|---|---|---|---|
| ΔmDa | Δppm | ||||||
| Da | |||||||
| 1 | Parent | 557.1309 | C30H29N2OFCl3+ | +2.0 | -3.6 | ||
| GS1a and GS1b | 862.1981 | C40H44N5O7FSCl3+ | -3.0 | -3.5 | |||
|
| GS3a and GS3b | 904.2139 | C42H46N5O8FSCl3+ | +2.2 | +2.4 | ||
mDa, milli-Daltons.