List of accurate masses and chemical formulas of the product ions obtained by CID of the molecular ion of M1 (Rt = 8.52 min) at m/z 280.6 (see Figs. 2, 7A, and 8)
| Fragment Ion | Chemical Formula | Measured Mass | Calculated Mass | Mass Error |
|---|---|---|---|---|
| m/z | Da | Da | ppm | |
| 323 | [C10H17O7N3S]+ | 323.0785 | 323.0782 | 1.0 |
| 322 | [C10H16O7N3S]+ | 322.0707 | 322.0704 | 1.1 |
| 287 | [C16H19ON2S]+ | 287.1216 | 287.1213 | 1.2 |
| 256 | [C10H14O5N3]+ | 256.0929 | 256.0928 | 0.42 |
| 247 | [C8H11O5N2S]+ | 247.0384 | 247.0383 | −0.10 |
| 239 | [C16H19N2]+ | 239.1545 | 239.1548 | −0.94 |
| 238 | [C16H18N2]+ | 238.1467 | 238.1464 | 1.0 |
| 223 | [C15H15N2]+ | 223.1230 | 223.1230 | 0.11 |
| 181 | [C8H9O3N2]+ | 181.0606 | 181.0608 | −0.93 |
| 145 | [C5H9O3N2]+ | 145.0605 | 145.0608 | −1.8 |