MSI_000015493

Reliable

排名分数: 4.7
参考来源: Vitis vinifera (PO:0009085: exocarp)

M/z: 646.9459
Mass Window: 646.9458 ~ 646.946 (0.6 ppm)

参考注释

5-[(4-bromo-2,3-dioxobutyl)sulfanyl]-3-[(3r,4r,5r)-4-hydroxy-3-(phosphonooxy)-5-[(phosphonooxy)methyl]oxolan-2-yl]-9h-6λ⁵-imidazo[2,1-f]purin-6-ylium_[M+H]+ (BioDeep_00002076513)
5-[(4-bromo-2,3-dioxobutyl)sulfanyl]-3-[(3r,4r,5r)-4-hydroxy-3-(phosphonooxy)-5-[(phosphonooxy)methyl]oxolan-2-yl]-9h-6λ⁵-imidazo[2,1-f]purin-6-ylium

Formula: [C16H19BrN5O12P2S]+ (645.9409514)
SMILES: O=C(CBr)C(=O)CSc1nc2c(ncn2C2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2OP(=O)(O)O)c2[nH]cc[n+]12