MSI_000015647

Unreliable

排名分数: 3.79
参考来源: Vitis vinifera (PO:0009085: exocarp)

M/z: 435.0454
Mass Window: 435.0454 ~ 435.0454 (0.2 ppm)

参考注释

(3s,6s,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),4,13,15,17(21)-hexaene-6,13-diol_[M+NH4]+ (BioDeep_00002220782)
(3s,6s,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),4,13,15,17(21)-hexaene-6,13-diol

Formula: C18H16BrN3O2S (417.01465360000003)
SMILES: Oc1c2c(c3c4c1N=CC=4CCN=3)[C@]13C=C(Br)[C@@H](O)CC1S[C@@H](C3)N2