MassBank of North America

Rating: ★★☆☆☆

Name	Value
InChIKey Create New Query Add to Query	RJWJHRPNHPHBRN-FKVJWERZSA-N
molecular formula Create New Query Add to Query	C15H22O9
total exact mass Create New Query Add to Query	346.126382284
SMILES Create New Query Add to Query	OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12
InChI Create New Query Add to Query	InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C15H22O9
exact mass Create New Query Add to Query	346.1263823
retention time Create New Query Add to Query	0.949943842
spectrum entropy Create New Query Add to Query	2.2856388092041016
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	2.285638778190843
normalized entropy Create New Query Add to Query	0.7907767476438765
precursor m/z Create New Query Add to Query	405.1402333
precursor type Create New Query Add to Query	[M+HAc-H]-