MassBank of North America

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Name	Value
InChIKey Create New Query Add to Query	DJDRQIXLFYUYAA-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C23H22O6
total exact mass Create New Query Add to Query	394.141638424
SMILES Create New Query Add to Query	O=C1C2=CC=C3OC(=CC3=C2OC4COC5=CC(OC)=C(OC)C=C5C14)C(C)C
InChI Create New Query Add to Query	InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-9,11,20-21H,10H2,1-4H3

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C23H22O6
exact mass Create New Query Add to Query	394.1416384
retention time Create New Query Add to Query	5.715743103
spectrum entropy Create New Query Add to Query	1.6883032321929932
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	1.6883032109801384
normalized entropy Create New Query Add to Query	0.7332207683082156
precursor m/z Create New Query Add to Query	393.134362
precursor type Create New Query Add to Query	[M-H]-
mass accuracy Create New Query Add to Query	0.0010785116938218896 ppm
mass error Create New Query Add to Query	-4.2400000666020787E-7 Da