MSI_000053731
Unreliable
排名分数: 5.18
参考来源: MALDI - CHCA (NOVOCELL:BACKGROUND: blank)
M/z: 596.1307
Mass Window: 596.1302 ~ 596.1309 (2.9 ppm)
参考注释
[(z)-[(3r)-3-({2-[(3s)-2,3-dihydroxyindol-3-yl]acetyl}oxy)-1-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pent-4-en-1-ylidene]amino]oxysulfonic acid_[M+NH4]+ (BioDeep_00002262705)[(z)-[(3r)-3-({2-[(3s)-2,3-dihydroxyindol-3-yl]acetyl}oxy)-1-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pent-4-en-1-ylidene]amino]oxysulfonic acid
Formula: C21H26N2O13S2 (578.0876266)
SMILES:
C=C[C@@H](C/C(=N/OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)OC(=O)C[C@@]1(O)C(O)=Nc2ccccc21