MassBank of North America

Rating: ★★★☆☆

Name	Value
InChIKey Create New Query Add to Query	LGFYNKGLEKBLDA-VMPITWQZSA-N
molecular formula Create New Query Add to Query	C25H32O12
total exact mass Create New Query Add to Query	524.1893764639999
SMILES Create New Query Add to Query	O=C(OC1CC(O)(C)C2C(OC=CC12O)OC3OC(CO)C(O)C(O)C3O)C=CC4=CC=C(OC)C=C4
InChI Create New Query Add to Query	InChI=1S/C25H32O12/c1-24(31)11-16(36-17(27)8-5-13-3-6-14(33-2)7-4-13)25(32)9-10-34-23(21(24)25)37-22-20(30)19(29)18(28)15(12-26)35-22/h3-10,15-16,18-23,26,28-32H,11-12H2,1-2H3/b8-5+

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C25H32O12
exact mass Create New Query Add to Query	524.1893765
retention time Create New Query Add to Query	3.436578344
spectrum entropy Create New Query Add to Query	1.2873016595840454
origin Create New Query Add to Query	hcd_lib.msp
ionization mode Create New Query Add to Query	positive
spectral entropy Create New Query Add to Query	1.2873017987865878
normalized entropy Create New Query Add to Query	0.5180483536057235
precursor m/z Create New Query Add to Query	547.1785945
precursor type Create New Query Add to Query	[M+Na]+
mass accuracy Create New Query Add to Query	1.0087456005126 ppm
mass error Create New Query Add to Query	-5.519639998965431E-4 Da