Table 4.
Sample | Actual Peak | Charge | Negative Ion | Predicted Peak | |
---|---|---|---|---|---|
Structure | Formula | ||||
FI | 413.0748 | 1- | [M-H]− | C12H22NaO12S− | 413.0730 |
FII | 493.0324 | 1- | [M-Na]− | C12H22NaO15S2− | 493.0298 |
471.0502 | 1- | [M-2Na+H]− | C12H23O15S2− | 471.0478 | |
391.0933 | 1- | [M-SO3-2Na+H]− | C12H23O12S− | 391.0910 | |
FIII | 537.1515 | 1- | [M-SO3-2Na+H]− | C18H33O16S− | 537.1489 |
617.1092 | 1- | [M-2Na+H]− | C18H33O19S2− | 617.1057 | |
639.0910 | 1- | [M-Na]− | C18H32NaO19S2− | 639.0877 | |
FIV | 741.0282 | 1- | [M-Na]− | C18H31Na2O22S3− | 741.0264 |
719.0463 | 1- | [M-2Na+H]− | C18H32NaO22S3− | 719.0445 | |
639.0890 | 1- | [M-SO3-2Na+H]− | C18H32NaO19S2− | 639.0877 | |
617.1069 | 1- | [M-SO3-3Na+2H]− | C18H33O19S2− | 617.1057 | |
FV | 432.0491 | 2- | [M-2Na]2− | C24H41NaO26S32− | 432.0473 |
785.1463 | 1- | [M-SO3-2Na+H]− | C24H42NaO23S2− | 785.1456 | |
887.0854 | 1- | [M-Na]− | C24H41Na2O26S3− | 887.0844 | |
FVI | 1011.1652 | 1- | [M-H]− | C24H39Na4O29S4− | 1011.0051 |
989.1834 | 1- | [M-Na]− | C24H40Na3O29S4− | 989.0231 | |
967.0461 | 1- | [M-2Na+H]− | C24H41Na2O29S4− | 967.0412 | |
887.0888 | 1- | [M-SO3-2Na+H]− | C24H41Na2O26S3− | 887.0844 | |
865.1067 | 1- | [M-SO3-3Na+2H]− | C24H42NaO26S3− | 865.1024 | |
843.1247 | 1- | [M-SO3-4Na+3H]− | C24H43O26S3− | 843.1205 |