MassBank of North America

Rating: ★★☆☆☆

Name	Value
InChIKey Create New Query Add to Query	GBKCPBPYMRGRKL-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C25H32O7
total exact mass Create New Query Add to Query	444.214803364
SMILES Create New Query Add to Query	O=C1OCC2=C1C(OC)=C3C(OC4(C)CC(O)C5C(OC(=O)CCC5(C)C4C3)(C)C)=C2C
InChI Create New Query Add to Query	InChI=1S/C25H32O7/c1-12-14-11-30-22(28)18(14)20(29-6)13-9-16-24(4)8-7-17(27)31-23(2,3)21(24)15(26)10-25(16,5)32-19(12)13/h15-16,21,26H,7-11H2,1-6H3

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C25H32O7
exact mass Create New Query Add to Query	444.2148034
retention time Create New Query Add to Query	4.016015383
spectrum entropy Create New Query Add to Query	1.2902827262878418
origin Create New Query Add to Query	hcd_lib.msp
ionization mode Create New Query Add to Query	negative
spectral entropy Create New Query Add to Query	1.290282778892891
normalized entropy Create New Query Add to Query	0.6204948554844016
precursor m/z Create New Query Add to Query	503.2286544
precursor type Create New Query Add to Query	[M+HAc-H]-