Table 11.
Selected NLs recorded during MS2 experiments for the B isomers of the novel derivatives of Ybt by application of LC-MS/HRMS. All recorded fragmentation spectra are shown in the Supplementary Material. The resulting fragments [M-X+H]+ caused by the specific NL [X] listed on top of the columns are noted in the table.
|
m/z of [M+H]+
(M) |
NEUTRAL LOSS | |||
|---|---|---|---|---|
| 18 Da H2O |
121 Da C3H7NO2S |
135 Da C4H9NO2S |
153 Da C3H7NO2S2 |
|
| 498.1188 (1-B) |
480.1079 C21H26N3O4S3+ |
- | - | - |
| 601.1282 (2-B) |
583.1171 C24H31N4O5S4+ |
480.1072 C21H26N3O4S3+ |
- | - |
| 615.1433 (3-B) |
- | - | 480.1064 C21H26N3O4S3+ |
- |
| 633.1003 (4-B) |
- | - | - | 480.1072 C21H26N3O4S3+ |
| 587.1127 (5-B) |
- | 466.0921 C20H24N3O4S3+ |
- | 434.1205 C20H24N3O4S2+ |