Table 6.
Selected fragments resulting from different NLs recorded during MS3 experiments of Ybt and its novel derivatives by application of LC-HRMS. All recorded fragmentation spectra are shown in the Supplementary Material. The specific NL [X] of a fragment leading to the ions [M-187-X+H]+ listed on top of the columns is noted in the table. The most intense ion was used for MS4 experiments.
|
m/z of [M-187+H]+
(M) |
Fragment [M-187-X+H]+ | ||||
|---|---|---|---|---|---|
| 173.0709 C10H9N2O+ |
190.0320 C10H8NOS+ |
261.0694 C13H13N2O2S+ |
293.0413 C13H13N2O2S2+ |
295.0576 C13H15N2O2S2+ |
|
| 295.0570 (Ybt-A1/Ybt-A2) |
122 Da C3H6OS2 |
105 Da C3H7NOS |
34 Da H2S |
- | - |
| 311.0520 (1-A) |
- | - | - | 18 Da H20 |
- |
| 414.0610 1 (2-A) |
241 Da C6H11NO3S3 |
- | 153 Da C3H7NO2S2 |
121 Da C3H7NO2S |
- |
| 428.0763 (3-A) |
255 Da C7H13NO3S3 |
- | 167 Da C4H9NO2S2 |
135 Da C4H9NO2S |
133 Da C4H7NO2S |
| 446.0329 (4-A) |
273 Da C6H11NO3S4 |
- | 185 Da C3H7NO2S3 |
153 Da C3H7NO2S2 |
151 Da C3H5NO2S2 |
| 343.0241 (6-A) 2 |
- | - | - | - | - |
| 321.0726 (7-A1–3) |
- | 131 Da C5H9NOS |
60 Da C2H4S |
- | - |
1 Is also equivalent to the main fragment of (5-A) for the [M-173+H]+ ion; 2 fragments were not observed during MS3.