MassBank of North America

Rating: ★★★☆☆

Name	Value
InChIKey Create New Query Add to Query	CNPWIVIIZHULCN-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C11H14N2O4
total exact mass Create New Query Add to Query	238.095356928
SMILES Create New Query Add to Query	OC(=NC1=CC=C(C(N=C(O)OC)=C1)C)OC
InChI Create New Query Add to Query	InChI=1S/C11H14N2O4/c1-7-4-5-8(12-10(14)16-2)6-9(7)13-11(15)17-3/h4-6H,1-3H3,(H,12,14)(H,13,15)

Name	Value
retention time Create New Query Add to Query	2.92
reference rt Create New Query Add to Query	[2.869]
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C11H14N2O4
exact mass Create New Query Add to Query	238.095356928
spectrum entropy Create New Query Add to Query	2.099816627107985
origin Create New Query Add to Query	QE_pos.msp
spectral entropy Create New Query Add to Query	2.079866594550761
normalized entropy Create New Query Add to Query	0.6176667271194629
ionization mode Create New Query Add to Query	positive
precursor m/z Create New Query Add to Query	256.1293640136719
precursor type Create New Query Add to Query	[M+NH4]+
mass accuracy Create New Query Add to Query	17.853924503191475 ppm
mass error Create New Query Add to Query	-0.004572914328150546 Da