MSI_000015328

Reliable

排名分数: 5.46
参考来源: Vitis vinifera (PO:0009085: exocarp)

M/z: 433.0297
Mass Window: 433.0297 ~ 433.0297 (0.4 ppm)

参考注释

(3s,8r,10s)-5-bromo-9-thia-11,15,20-triazahexacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0¹⁷,²¹]docosa-1(20),2(12),4,14(21),16-pentaene-6,13-dione_[M+NH4]+ (BioDeep_00002333767)
(3s,8r,10s)-5-bromo-9-thia-11,15,20-triazahexacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0¹⁷,²¹]docosa-1(20),2(12),4,14(21),16-pentaene-6,13-dione

Formula: C18H14BrN3O2S (414.99900440000005)
SMILES: O=C1C[C@H]2S[C@H]3C[C@]2(C=C1Br)C1=C(N3)C(=O)c2[nH]cc3c2C1=NCC3