Table 4 Summary of LC-MS/MS data for drug and degradation products (DP I to V) with molecular formulae and major fragments
From: Characterization and toxicity evaluation of degradation products of febantel
Compound | Experimental mass | Best possible molecular formula | Theoretical mass | Error in mmu | RDB | Major fragments | Error in mmu | Molecular formula for best possible fragments | |
|---|---|---|---|---|---|---|---|---|---|
Experimental mass | Theoretical mass | ||||||||
Febantel | 447.09 | C20H23N4O6S+ | 447.13 | − 4.33 | 11.5 | 415.03 | 415.11 | − 7.71 | C19H19N4O5S+ |
382.99 | 383.08 | − 9.09 | C18H15N4O4S+ | ||||||
312.98 | 313.08 | − 9.54 | C15H13N4O2S+ | ||||||
DP–I | 463.08 | C20H23N4O7S+ | 463.13 | − 4.82 | 11.5 | 431.03 | 431.10 | − 7.20 | C19H19N4O6S+ |
399.05 | 399.08 | − 2.58 | C18H15N4O5S+ | ||||||
329.01 | 329.07 | − 6.03 | C15H13N4O3S+ | ||||||
DP–II | 359.19 | C17H19N4O3S+ | 359.12 | 7.28 | 10.5 | 325.13 | 325.08 | 5.46 | C16H13N4O2S+ |
86.17 | 86.07 | 9.87 | C3H8N3+ | ||||||
DP–III | 289.08 | C15H17N2O2S+ | 289.10 | − 2.05 | 8.5 | 259.08 | 259.09 | − 1.00 | C18H15N2OS− |
229.08 | 229.08 | 0.06 | C13H13N2S+ | ||||||
135.18 | 135.09 | 8.83 | C8H11N2+ | ||||||
DP–IV | 389.08 | C18H21N4O4S+ | 389.13 | − 4.78 | 10.5 | 373.05 | 373.13 | − 8.29 | C18H21N4O3S+ |
357.08 | 357.10 | − 2.21 | C17H17N4O3S+ | ||||||
271.12 | 271.08 | 4.21 | C14H13N3OS+ | ||||||
178.12 | 178.04 | 7.67 | C8H8N3S+ | ||||||
DP–V | 302.18 | C15H16N3O2S+ | 302.10 | 8.42 | 10.5 | 268.07 | 268.05 | 1.61 | C14H10N3OS+ |
192.12 | 192.02 | 9.74 | C8H6N3OS+ | ||||||
98.16 | 98.07 | 8.87 | C4H8N3+ | ||||||