TABLE 3.
Experimental and calculated relative masses of deprotonated molecular ions ([M-H]−) of HPLC fractions
| Fraction | [M-H]− (m/z)
|
No. of ringsc | No. of hexosesd | |
|---|---|---|---|---|
| Experimentala | Calculatedb | |||
| A1-1 | 1,454.8,* 805.9 | 1,454.3 | 0 | 0 |
| A1-2 | 805.6 | 805.7 | 0 | 0 |
| A2 | 1,616.9 | 1,616.4 | 4 | 2 |
| A3 | 1,616.9 | 1,616.4 | 0 | 1 |
| A4-1 | 1,609.9 | 1,610.3 | 3 | 1 |
| A4-2 | 1,620.7 | 1,620.4 | 2 | 2 |
| A5 | ND | |||
| A6 | 1,786.0 | 1,786.5 | 0 | 3 |
| A7 | 1,946.3 | 1,946.5 | 1 | 4 |
| A8 | ND | |||
| A9 | 1,947.0,* 2,098.9 | 1,946.5 | 1 | 4 |
| P2 | 1,616.2 | 1,616.4 | 0 | 1 |
| C1 | 1,616.8 | 1,616.4 | 0 | 1 |
| C2 | 1,771.3 | 1,772.4 | 3 | 3 |
| C3 | 1,933.7* | 1,932.4 | 2 | 3 |
| C5 | 2,098.9,* 1,934.9 | 2,098.5 | 2 | 4 |
a
[M-H]− was measured by liquid SIMS analysis. Asterisk denotes the main peak in the spectra. ND, not determined.
b
Calculated deprotonated molecular mass expected from the numbers of cyclopentane rings and hexoses estimated.
c
Number of cyclopentane rings per molecule estimated from experimental [M-H]−.
d
Number of hexoses estimated from experimental [M-H]−.