MassBank of North America

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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
retention time Create New Query Add to Query	1.931498571
spectrum entropy Create New Query Add to Query	1.8436185121536253
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	1.8436182898313516
normalized entropy Create New Query Add to Query	0.7688485442818478
precursor m/z Create New Query Add to Query	299.1136265
precursor type Create New Query Add to Query	[M-H]-
mass accuracy Create New Query Add to Query	0.0016047412767133135 ppm
mass error Create New Query Add to Query	-4.799999828719592E-7 Da