MassBank of North America

Rating: ★★★☆☆

Name	Value
molecular formula Create New Query Add to Query	C8H9N5O2
total exact mass Create New Query Add to Query	207.07562452800002
SMILES Create New Query Add to Query	O=C1C=2N=CNC2N=C3NC(O)CCN13
InChI Create New Query Add to Query	InChI=1S/C8H9N5O2/c14-4-1-2-13-7(15)5-6(10-3-9-5)12-8(13)11-4/h3-4,14H,1-2H2,(H,9,10)(H,11,12)
InChIKey Create New Query Add to Query	PQTKXMSWCPETPZ-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	0
formula Create New Query Add to Query	C8H9N5O2
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	0.0
normalized entropy Create New Query Add to Query	NaN
ionization mode Create New Query Add to Query	positive
precursor m/z Create New Query Add to Query	208.082904585
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	3.315712078327751 ppm
mass error Create New Query Add to Query	-6.899430000260054E-4 Da