MassBank of North America

Rating: ★★★★☆

Name	Value
molecular formula Create New Query Add to Query	C10H13N5O4
total exact mass Create New Query Add to Query	267.09675389600005
SMILES Create New Query Add to Query	O=C1NC=2C(=NC=NC2N1C3OC(CO)C(O)C3)N
InChI Create New Query Add to Query	InChI=1S/C10H13N5O4/c11-8-7-9(13-3-12-8)15(10(18)14-7)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H,14,18)(H2,11,12,13)/t4-,5+,6+/m0/s1
InChIKey Create New Query Add to Query	NDWAUKFSFFRGLF-KVQBGUIXSA-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	80
formula Create New Query Add to Query	C10H13N5O4
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	2.263458606977565
normalized entropy Create New Query Add to Query	0.9108827517406627
ionization mode Create New Query Add to Query	positive
precursor m/z Create New Query Add to Query	268.104033985
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	2.573295857571389 ppm
mass error Create New Query Add to Query	-6.899110000517794E-4 Da