MSI_000038130

Unreliable

排名分数: 2.79
参考来源: Posidonia oceanica (PO:0005020: vascular bundle)

M/z: 415.0203
Mass Window: 415.0201 ~ 415.0205 (1.7 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]+ (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