MassBank of North America

Rating: ★★★☆☆

Name	Value
molecular formula Create New Query Add to Query	C8H5N5O
total exact mass Create New Query Add to Query	187.04940978000002
SMILES Create New Query Add to Query	O=C1C=2N=CNC2N=C3N=CC=CN31
InChI Create New Query Add to Query	InChI=1S/C8H5N5O/c14-7-5-6(11-4-10-5)12-8-9-2-1-3-13(7)8/h1-4H,(H,10,11)
InChIKey Create New Query Add to Query	ZREGNVKUSNORFO-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	80
formula Create New Query Add to Query	C8H5N5O1
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	0.4155921081069713
normalized entropy Create New Query Add to Query	0.5995726733985175
ionization mode Create New Query Add to Query	positive
precursor m/z Create New Query Add to Query	188.056689815
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	3.668920263881442 ppm
mass error Create New Query Add to Query	-6.899650000207203E-4 Da