MassBank of North America

Rating: ★★★☆☆

Name	Value
molecular formula Create New Query Add to Query	C6H7N5
total exact mass Create New Query Add to Query	149.07014522400002
SMILES Create New Query Add to Query	N1=CN=C2C1=C(N=CN2C)N
InChI Create New Query Add to Query	InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3
InChIKey Create New Query Add to Query	FSASIHFSFGAIJM-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	C6H7N5
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	150.077425255
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	4.59742029045673 ppm
mass error Create New Query Add to Query	-6.899690000068404E-4 Da