MassBank of North America

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Name	Value
InChIKey Create New Query Add to Query	ITOTUSMHIQFNHJ-MRXNPFEDSA-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=C3OC(C=CC3=C2OC(C=4C=CC=CC4)C1)(C)C
InChI Create New Query Add to Query	InChI=1S/C21H20O4/c1-21(2)10-9-14-17(25-21)12-18(23-3)19-15(22)11-16(24-20(14)19)13-7-5-4-6-8-13/h4-10,12,16H,11H2,1-3H3/t16-/m1/s1

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	5.494508668
spectrum entropy Create New Query Add to Query	0.6063444018363953
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	0.3856073218594336
normalized entropy Create New Query Add to Query	0.18543792365902642
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