MSI_000053902
Reliable
排名分数: 3.94
参考来源: MALDI - CHCA (NOVOCELL:BACKGROUND: blank)
M/z: 479.0375
Mass Window: 479.0372 ~ 479.0379 (2.8 ppm)
参考注释
(1r,4s,5r,6r,8r,9r,11r,14s,15r,18r,22r)-5,8,22-trihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,12,16-trione_[M+Na]+ (BioDeep_00002137547)(1r,4s,5r,6r,8r,9r,11r,14s,15r,18r,22r)-5,8,22-trihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,12,16-trione
Formula: C18H20N2O6S3 (456.04834600000004)
SMILES:
O=C1C[C@H]2SS[C@@]34C[C@@H]1[C@@H]([C@H]2O)N3C(=O)[C@@]12C[C@@H]3[C@@H]([C@@H](O)[C@@H](C[C@H]3O)S1)N2C4=O
