MassBank of North America

Rating: ★★★☆☆

Name	Value
InChIKey Create New Query Add to Query	OLBNOBQOQZRLMP-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C8H8O4
total exact mass Create New Query Add to Query	168.042258736
SMILES Create New Query Add to Query	O=C1C=C(OC)C(=O)C(OC)=C1
InChI Create New Query Add to Query	InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C8H8O4
exact mass Create New Query Add to Query	168.0422587
retention time Create New Query Add to Query	2.684833994
spectrum entropy Create New Query Add to Query	1.6364610195159912
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	1.6364608787406216
normalized entropy Create New Query Add to Query	0.7107059294875984
precursor m/z Create New Query Add to Query	169.0495352
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	4.1025608214745 ppm
mass error Create New Query Add to Query	-6.935359999999946E-4 Da