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	258.08518616799995
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	cid
collision energy Create New Query Add to Query	0
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	0.5466828390040186
normalized entropy Create New Query Add to Query	0.7886966207701972
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	2.662732768222428 ppm
mass error Create New Query Add to Query	-6.898939999473441E-4 Da