MassBank of North America

Rating: ★★★★☆

Name	Value
molecular formula Create New Query Add to Query	C10H14N2O6
total exact mass Create New Query Add to Query	258.085186168
SMILES Create New Query Add to Query	O=C1NC(=O)N(C=C1C)C2OC(CO)C(O)C2O
InChI Create New Query Add to Query	InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)
InChIKey Create New Query Add to Query	DWRXFEITVBNRMK-UHFFFAOYSA-N

Name	Value
instrumenttype Create New Query Add to Query	ESI-ITFT
instrument Create New Query Add to Query	LTQ Orbitrap Fusion Tribrid, Thermo Scientfic
collisiontype Create New Query Add to Query	hcd
collision energy Create New Query Add to Query	90
formula Create New Query Add to Query	C10H14N2O6
mstype Create New Query Add to Query	2
origin Create New Query Add to Query	20231130_DNA-Adduct_CombinedDB.msp
spectral entropy Create New Query Add to Query	2.517819401426913
normalized entropy Create New Query Add to Query	0.9081113910731564
ionization mode Create New Query Add to Query	positive
precursor m/z Create New Query Add to Query	259.092466274
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	2.6627327684418223 ppm
mass error Create New Query Add to Query	-6.898940000041875E-4 Da