MassBank of North America

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Name	Value
InChIKey Create New Query Add to Query	QIUYUYOXCGBABP-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C16H14O3
total exact mass Create New Query Add to Query	254.09429430799997
SMILES Create New Query Add to Query	O=C1C=2C=CC=CC2OC(C3=CC=C(OC)C=C3)C1
InChI Create New Query Add to Query	InChI=1S/C16H14O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-9,16H,10H2,1H3

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C16H14O3
exact mass Create New Query Add to Query	254.0942943
retention time Create New Query Add to Query	0.194031409
spectrum entropy Create New Query Add to Query	1.7850993871688845
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	1.7850993946067861
precursor type Create New Query Add to Query	[M+H]+
normalized entropy Create New Query Add to Query	0.6959589238726539
precursor m/z Create New Query Add to Query	255.1015708
mass accuracy Create New Query Add to Query	2.718556368777432 ppm
mass error Create New Query Add to Query	-6.93507999983467E-4 Da