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.