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	5.546530341
spectrum entropy Create New Query Add to Query	2.666694641113281
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	2.666694698848103
normalized entropy Create New Query Add to Query	0.890164559226271
precursor m/z Create New Query Add to Query	335.1288827
precursor type Create New Query Add to Query	[M-H]-
mass accuracy Create New Query Add to Query	0.0012532491641264068 ppm
mass error Create New Query Add to Query	-4.199999921183917E-7 Da