MSI_000015410

Reliable

排名分数: 5
参考来源: Vitis vinifera (PO:0009085: exocarp)

M/z: 544.9683
Mass Window: 544.9683 ~ 544.9684 (0.5 ppm)

参考注释

(2r,4r,5r)-2-(2-{[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]imino}-1h-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol_[M]+ (BioDeep_00002280470)
(2r,4r,5r)-2-(2-{[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]imino}-1h-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Formula: C17H17Br2N5O6 (544.9545502000001)
SMILES: OC[C@H]1O[C@@H](n2cnc3c[nH]c(=NCc4cc(O)c(O)c(Br)c4Br)nc32)C(O)[C@H]1O