MassBank of North America

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Name	Value
InChIKey Create New Query Add to Query	LLLIKVGWTVPYAL-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C17H14O4
total exact mass Create New Query Add to Query	282.089208928
SMILES Create New Query Add to Query	O=C1C=C(OC2=CC=C(OC)C=C12)C=3C=CC=C(OC)C3
InChI Create New Query Add to Query	InChI=1S/C17H14O4/c1-19-12-5-3-4-11(8-12)17-10-15(18)14-9-13(20-2)6-7-16(14)21-17/h3-10H,1-2H3

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C17H14O4
exact mass Create New Query Add to Query	282.0892089
retention time Create New Query Add to Query	4.866611181
spectrum entropy Create New Query Add to Query	0.6888116598129272
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	0.6888116775750157
normalized entropy Create New Query Add to Query	0.6269834086874168
precursor m/z Create New Query Add to Query	283.0964854
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	2.449793747949273 ppm
mass error Create New Query Add to Query	-6.935279999993327E-4 Da