MassBank of North America

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Name	Value
InChIKey Create New Query Add to Query	GKPNPQODFXMCGO-IFXJQAMLSA-N
molecular formula Create New Query Add to Query	C19H22O6
total exact mass Create New Query Add to Query	346.14163842399995
SMILES Create New Query Add to Query	OC1CC=2C(OC)=CC(OC)=CC2OC1C3=CC=C(OC)C(OC)=C3
InChI Create New Query Add to Query	InChI=1S/C19H22O6/c1-21-12-8-16(23-3)13-10-14(20)19(25-17(13)9-12)11-5-6-15(22-2)18(7-11)24-4/h5-9,14,19-20H,10H2,1-4H3/t14-,19+/m0/s1

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C19H22O6
exact mass Create New Query Add to Query	346.1416384
retention time Create New Query Add to Query	4.333130469
spectrum entropy Create New Query Add to Query	1.3396241664886477
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	1.339624191192574
normalized entropy Create New Query Add to Query	0.6442230590961384
precursor m/z Create New Query Add to Query	347.1489149
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	1.9977708993494174 ppm
mass error Create New Query Add to Query	-6.935239999279474E-4 Da