MassBank of North America

Rating: ★★★☆☆

Name	Value
InChIKey Create New Query Add to Query	TVKGYMYAOVADOP-SOFGYWHQSA-N
molecular formula Create New Query Add to Query	C20H22O6
total exact mass Create New Query Add to Query	358.141638424
SMILES Create New Query Add to Query	O=C(C=CC1=CC=C(OC)C(OC)=C1)C=2C(OC)=CC(OC)=CC2OC
InChI Create New Query Add to Query	InChI=1S/C20H22O6/c1-22-14-11-18(25-4)20(19(12-14)26-5)15(21)8-6-13-7-9-16(23-2)17(10-13)24-3/h6-12H,1-5H3/b8-6+

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C20H22O6
exact mass Create New Query Add to Query	358.1416384
retention time Create New Query Add to Query	5.477990217
spectrum entropy Create New Query Add to Query	0.6205933690071106
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	0.6205932978963629
normalized entropy Create New Query Add to Query	0.447663436642005
precursor m/z Create New Query Add to Query	359.1489149
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	1.9310207304340399 ppm
mass error Create New Query Add to Query	-6.935239999847909E-4 Da