Table 1 List of diagnosing peaks, their predicted formulae, and, where available, a suggested compound name.
A. Smith | Annotation | Predicted Formula | R. Burns | Annotation | Predicted Formula |
|---|---|---|---|---|---|
207.0654 | Citropen/Scoparone - natural plant metabolite | C11H10O4 | 113.9639 | ??? | |
273.0289 | ??? | 130.5259 | ??? | ||
283.1178 | Bis(2-methoxyethyl) phthalate | C14H18O6 | 230.9904 | Citric acid (Potassium adduct) | C6H8O7 + K+ |
291.0842 | ??? | 243.0993 | C11H10N6O | ||
305.0996 | ??? | 258.0286 | ??? | ||
327.0782 | Triphenyl phosphate | C18H15O4P | 328.1794 | C14H25N5O2S | |
344.1049 | ??? | 364.9642 | ??? | ||
349.0602 | C14H12N4O5S | 377.2091 | C21H24N6O |
