MassBank of North America

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Name	Value
InChIKey Create New Query Add to Query	NGRRXMZEVSBATO-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C21H20O4
total exact mass Create New Query Add to Query	336.13615912
SMILES Create New Query Add to Query	O=C1C2=C(OC)C=C3OC4C(C3=C2OC(C=5C=CC=CC5)C1)C4(C)C
InChI Create New Query Add to Query	InChI=1S/C21H20O4/c1-21(2)18-17-15(25-20(18)21)10-14(23-3)16-12(22)9-13(24-19(16)17)11-7-5-4-6-8-11/h4-8,10,13,18,20H,9H2,1-3H3

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C21H20O4
exact mass Create New Query Add to Query	336.1361591
retention time Create New Query Add to Query	5.297221741
spectrum entropy Create New Query Add to Query	0.5005358457565308
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	0.5005358855219123
normalized entropy Create New Query Add to Query	0.25722456186628606
precursor m/z Create New Query Add to Query	337.1434356
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	2.0570473181329016 ppm
mass error Create New Query Add to Query	-6.935200000270925E-4 Da