MassBank of North America

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Name	Value
InChIKey Create New Query Add to Query	JWWFVRMFYKPZNE-VVIWCBLHSA-N
molecular formula Create New Query Add to Query	C20H24O10
total exact mass Create New Query Add to Query	424.13694696799996
SMILES Create New Query Add to Query	O=C1OC=2C(OC3OC(CO)C(O)C(O)C3O)=C4OC(CC4=CC2C=C1)C(O)(C)C
InChI Create New Query Add to Query	InChI=1S/C20H24O10/c1-20(2,26)11-6-9-5-8-3-4-12(22)29-16(8)18(17(9)28-11)30-19-15(25)14(24)13(23)10(7-21)27-19/h3-5,10-11,13-15,19,21,23-26H,6-7H2,1-2H3/t10-,11+,13-,14+,15-,19+/m1/s1

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C20H24O10
exact mass Create New Query Add to Query	424.136947
retention time Create New Query Add to Query	2.602932291
spectrum entropy Create New Query Add to Query	2.294227600097656
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	2.294227794600138
normalized entropy Create New Query Add to Query	0.8944534471708537
precursor m/z Create New Query Add to Query	423.1296705
precursor type Create New Query Add to Query	[M-H]-
mass accuracy Create New Query Add to Query	0.0011060439121106953 ppm
mass error Create New Query Add to Query	-4.679999960899295E-7 Da