Table 4.
m/z of the [M+H]+ ions, the typical NLs, and the resulting main fragments of Ybt and its novel derivatives derived from LC-MS/HRMS data. The most intense ion, in this case the fragment resulting from the typical neutral loss, was used for the MS3 experiments.
| m/z of the [M+H]+ Ion | NL of 187 Da C8H13NO2S |
NL of 173 Da C7H11NO2S |
Measured Ion |
|---|---|---|---|
| 482.1239 (Ybt-A1/Ybt-A2) |
295.0570 1 C13H15N2O2S2+ |
- | [M-187+H]+ |
| 498.1188 (1-A) |
311.0520 1 C13H15N2O3S2+ |
- | [M-187+H]+ |
| 601.1282 (2-A) |
414.0610 1 C16H20N3O4S3+ |
- | [M-187+H]+ |
| 615.1433 (3-A) |
428.0763 1 C17H22N3O4S3+ |
- | [M-187+H]+ |
| 633.1003 (4-A) |
446.0329 1 C16H20N3O4S4+ |
- | [M-187+H]+ |
| 587.1127 (5-A) |
- | 414.0610 1 C16H20N3O4S3+ |
[M-173+H]+ |
| 530.0911 (6-A) |
343.0241 1 C13H15N2O3S3+ |
- | [M-187+H]+ |
| 508.1391 (7-A1–3) |
321.0726 1 C15H17N2O2S2+ |
- | [M-187+H]+ |
1 Used for MS3 experiments.