MassBank of North America

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Name	Value
InChIKey Create New Query Add to Query	NPNNKDMSXVRADT-WEVVVXLNSA-N
molecular formula Create New Query Add to Query	C18H19NO4
total exact mass Create New Query Add to Query	313.131408088
SMILES Create New Query Add to Query	OC(=NCCC1=CC=C(O)C=C1)C=CC2=CC=C(O)C(OC)=C2
InChI Create New Query Add to Query	InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C18H19NO4
exact mass Create New Query Add to Query	313.1314081
retention time Create New Query Add to Query	3.262847815
spectrum entropy Create New Query Add to Query	0.9583616852760316
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	0.9583617073479835
normalized entropy Create New Query Add to Query	0.6913118412844079
precursor m/z Create New Query Add to Query	314.1386846
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	2.207585483804642 ppm
mass error Create New Query Add to Query	-6.934880000244448E-4 Da