MassBank of North America

Rating: ★★★☆☆

Name	Value
InChIKey Create New Query Add to Query	ILRCGYURZSFMEG-RKQHYHRCSA-N
molecular formula Create New Query Add to Query	C14H20O7
total exact mass Create New Query Add to Query	300.12090298
SMILES Create New Query Add to Query	OC1=CC=C(C=C1)CCOC2OC(CO)C(O)C(O)C2O
InChI Create New Query Add to Query	InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C14H20O7
exact mass Create New Query Add to Query	300.120903
spectrum entropy Create New Query Add to Query	2.078165292739868
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	2.0781651003780373
normalized entropy Create New Query Add to Query	0.6825914877907779
precursor m/z Create New Query Add to Query	318.154726
precursor type Create New Query Add to Query	[M+NH4]+
mass accuracy Create New Query Add to Query	14.95178166872388 ppm
mass error Create New Query Add to Query	-0.004756980000024669 Da
retention time Create New Query Add to Query	1.935296391