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. 2020 May 28;10(6):221. doi: 10.3390/metabo10060221

Table 3.

Predicted molecular formulas of the novel derivatives based on mass spectrometric fragmentation experiments and the difference of these molecular formulas compared to Ybt.

m/z of the [M+H]+ Ion Predicted Molecular Formula of M Difference of the Predicted Molecular Formula to Ybt
482.1239 (Ybt) C21H27N3O4S3 -
498.1188 (1) C21H27N3O5S3 O
601.1282 (2) C24H32N4O6S4 C3H5NO2S
615.1433 (3) C25H34N4O6S4 C4H7NO2S
633.1003 (4) C24H32N4O6S5 C3H5NO2S2
587.1127 (5) C23H30N4O6S4 C2H3NO2S
530.0911 (6) C21H27N3O5S4 OS
508.1391 (7) C23H29N3O4S3 C2H2