Chemical formula | HR-ESI-MS found | HR-ESI-MS calculated | Mass difference | ppm error | MS2 of 660.17 [M + H]+ | UV-Vis max (nm) |
---|---|---|---|---|---|---|
C26H34N3O15S+ | 660.1693 [M + H]+ | 660.1705 [M + H]+ | -0.0012 | -1.8 | 660.17 [M + H]+ 585.15 [M-H-C2H4NO2]+ 530.15 [M + H-C5H8NO3]+ 468.13 [M + H-quinic acid]+ 307.17 [M + H-C16H17O9]+ | 283, 519 |
 |  |  |  |  | MS2 for 658.15 [M-H]- | |
C26H32N3O15S− | 658.1548 [M-H]− | 658.1559 [M-H]− | -0.0011 | -1.7 | 658.15 [M-H]− 515.10 [M-H-C5H10N2O3]− 466.07 [M-H-quinic acid]− 385.05 [M-H-C10H16N3O6]− 191.02 [M-H-C19H22N3O9S]− |