Table 1.
Entry | Fraction number | Acyl chain length | Acyl chain unsaturations | LC/MS retention time (min) | LC-HRMS retention time (min) | Experi-mental m/z [M+H]+ | Calculated molecular formula | Calculated m/z [M+H]+ |
---|---|---|---|---|---|---|---|---|
A | M9 | C18 | 0 | 3.59 | 6.07 | 416.3009 | C22H41NO6 | 416.3007 |
B | M10 | C18 | 2 | 3.66 | 6.36 | 412.2697 | C22H37NO6 | 412.2694 |
C | M11 | C18 | 1 | 4.08 | 6.60 | 414.2854 | C22H39NO6 | 414.2850 |
D | M11 | C18 | 1 | 4.10 | 6.51 | 398.2905 | C22H39NO5 | 398.2901 |
E | M11 | C16 | 0 | 4.16 | 6.57 | 372.2745 | C20H37NO5 | 372.2744 |
F | M12 | C18 | 0 | 4.22 | 6.84 | 400.3057 | C22H41NO5 | 400.3057 |
G | M12 | C19 | 1 | 4.36 | 6.93 | 428.3013 | C23H41NO6 | 428.3007 |
H | M12 | C18 | 1 | 4.42 | 6.87 | 398.2902 | C22H39NO5 | 398.2901 |
I | M13 | C17 | 0 | 4.49 | 6.91 | 386.2904 | C21H39NO5 | 386.2901 |
J | M13 | C18 | 0 | 4.61 | 7.08 | 400.0366 | C22H41NO5 | 400.3057 |
K | M13 | C18 | 0 | 4.70 | 7.15 | 400.3061 | C22H41NO5 | 400.3057 |
L | M15 | C16 | 1 | 5.02 | 7.61 | 354.2642 | C20H35NO4 | 354.2639 |
M | M15 | C15 | 0 | 5.14 | 7.72 | 342.2645 | C19H35NO4 | 342.2639 |
N | M16 | C16 | 1 | 5.38 | 8.13 | 414.2676 | C20H39NO4S | 414.2673 |
O | M16 | C16 | 0 | 5.49 | 8.18 | 356.2798 | C20H37NO4 | 356.2795 |
P | M16/M17 | C18 | 1 | 5.62 | 8.46 | 382.2954 | C22H39NO4 | 382.2952 |
Q | M17 | C16 | 1 | 5.71 | 8.68 | 338.2690 | C20H35NO3 | 338.2690 |
R | M17/M18 | C17 | 0 | 5.79 | 8.67 | 370.2952 | C21H39NO4 | 370.2952 |
S | M18 | C19 | 1 | 5.93 | 8.96 | 396.3113 | C23H41NO4 | 396.3108 |
T | M18 | C17 | 1 | 6.02 | 9.19 | 352.2846 | C21H38NO3 | 352.2846 |