MassBank of North America

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Name	Value
InChIKey Create New Query Add to Query	QAUDHOGPLBDVAX-GZFODPQLSA-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=C1OC2=C(C=C1)C=CC=3OC(C)(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C32
InChI Create New Query Add to Query	InChI=1S/C20H24O10/c1-20(2)18(29-19-16(26)15(25)13(23)10(7-21)27-19)14(24)12-9(30-20)5-3-8-4-6-11(22)28-17(8)12/h3-6,10,13-16,18-19,21,23-26H,7H2,1-2H3/t10-,13-,14-,15+,16-,18-,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	2.930233908
spectrum entropy Create New Query Add to Query	1.1680035591125488
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	1.168003553524963
normalized entropy Create New Query Add to Query	0.4700392079616396
precursor m/z Create New Query Add to Query	407.1336588
precursor type Create New Query Add to Query	[M-H2O+H]+
mass accuracy Create New Query Add to Query	10.025778787310427 ppm
mass error Create New Query Add to Query	0.004081831999997121 Da