MSI_000016076
Reliable
排名分数: 2.59
参考来源: Vitis vinifera (PO:0009085: exocarp)
M/z: 527.9998
Mass Window: 527.9997 ~ 527.9998 (0.3 ppm)
参考注释
Rosmarinic acid_[M+NH4]+ (BioDeep_00000419013)Rosmarinic acid
Formula: C20H11BrClF3N4O2 (509.9705952)
SMILES:
C1=CC=C(C=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)NC4=C(C=CC(=C4)Cl)O)Br
