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Comparison of 25OHD3 cation adducts for alkaline earth metals, demonstrating the ratio between “open” and “closed” conformers and experimentally obtained collision cross sections.
| Ion | m/z | Ratio O:C |
DTCCSN2 (Å2) “Open” | DTCCSN2 (Å2) “Closed” |
|---|---|---|---|---|
| [M+Mg+Ac]+ | 483.332 | 1.41 | 249.6 ± 0.3 | 218.2 ±0.3 |
| [M+Ca+Ac]+ | 499.310 | 3.34 | 246.6 ± 0.3 | 223.8 ± 0.3 |
| [M+Sr+Ac]+ | 547.235 | 7.59 | 246.6 ± 0.3 | 221.1 ±0.3 |
| [M+Ba+Ac]+ | 597.253 | 8.55 | 245.1 ±0.3 | 215.3 ±0.3 |
