Table 2.
Compounds | Measured m/z | Retention Time (min) | MS Error (ppm) | Predicted Formula | Formula Finder Score | Profile as Function of Time |
---|---|---|---|---|---|---|
Ion-1 | 230.2471 | 13.37 | 1 | C14H31NO | 39.7 | Increase |
Ion-2 | 258.2789 | 14.18 | −1 | C16H35NO | 40 | Increase |
Ion-3 | 352.3052 | 13.66 | 0.2 | C14H37N7O3 | 18.1 | Increase |
Ion-4 | 379.3046 | 13.67 | 0 | C21H38N4O2 | 43.1 | Increase |
Ion-5 | 383.2867 | 13.67 | 0.1 | C17H34N8O2 | 73.7 | Increase |
Ion-6 | 396.3316 | 13.67 | −0.8 | C16H41N7O4 | 25.4 | Increase |
Ion-7 | 427.3124 | 13.66 | 0.4 | C19H38N8O3 | 67.8 | Increase |
Ion-8 | 440.3575 | 13.67 | −0.7 | C23H45N5O3 | 23.2 | Increase |
Ion-9 | 449.3258 | 13.66 | −0.4 | C23H40N6O3 | 26.3 | Increase |
Ion-10 | 459.4875 | 13.38 | 0.2 | No formula found | 0 | Increase |
Ion-11 | 471.3387 | 13.65 | −0.1 | C21H42N8O4 | 33.8 | Increase |
Ion-12 | 484.3839 | 13.68 | -1 | C25H49N5O4 | 25.6 | Increase |
Ion-13 | 493.352 | 13.65 | −0.6 | C22H48N6O4S | 72.9 | Increase |
Ion-14 | 537.3772 | 13.64 | 0.7 | C20H48N12O3S | 40.5 | Increase |
Ion-15 | 559.3899 | 13.64 | 1 | C21H46N14O4 | 45.3 | Increase |
Ion-16 | 572.4355 | 13.68 | −0.2 | C26H49N15 | 37.8 | Increase |
Ion-17 | 577.3903 | 13.69 | 0.5 | C38H48N4O | 91.8 | Increase |
Ion-18 | 581.4031 | 13.63 | 0.7 | C25H48N12O4 | 14.9 | Increase |
Ion-19 | 621.4163 | 13.68 | 0.3 | C30H48N14O | 30.6 | Increase |
Ion-20 | 704.5142 | 13.67 | −0.6 | No formula found | 0 | Increase |
Ion-21 | 748.5391 | 13.67 | 0.1 | No formula found | 0 | Increase |
Ion-22 | 792.5668 | 13.66 | −0.4 | No formula found | 0 | Increase |