Compound | Molecular Formula | Molecular Mass | (M-H)− theoretical | (M-H)− Experimental | Error (ppm) | Double bond equivalence |
CP | C9H15NO3S | 217.0773 | 216.0700 | 216.0700 | 0 | 3 |
1 | C9H15NO6S | 265.0620 | 264.0547 | 264.0547 | 0 | 3 |
2 | C9H15NO7S | 281.0569 | 280.0496 | 280.0496 | 0 | 3 |
3 | C9H13NO7S | 279.0413 | 278.0340 | 278.0340 | 0 | 4 |
4 | C9H13NO8S | 295.0362 | 294.0289 | 294.0286 | 1,50 | 4 |
5 | C9H13NO9S | 311.0311 | 310.0238 | 310.0241 | 1.61 | 4 |
6 | C8H13NO6S | 235.0514 | 234.0442 | 234.0442 | 0 | 3 |
7 | C8H13NO6S | 251.0464 | 250.0391 | 250.0390 | 0.37 | 3 |
8 | C8H13NO8S | 283.0362 | 282.0289 | 282.0284 | 2.21 | 3 |
9 | C4H6O8S | 168.0092 | 167.0020 | 167.0018 | 0.80 | 1 |
10 | C18H28N2O6S2 | 432.1389 | 431.1316 | 431.1318 | 1.00 | 6 |