MassBank of North America

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Name	Value
molecular formula Create New Query Add to Query	C7H5N5O
total exact mass Create New Query Add to Query	175.04940978000002
SMILES Create New Query Add to Query	O=C1C=2N=CNC2N=C3N=CCN31
InChI Create New Query Add to Query	InChI=1S/C7H5N5O/c13-6-4-5(10-3-9-4)11-7-8-1-2-12(6)7/h1,3H,2H2,(H,9,10)
InChIKey Create New Query Add to Query	DYBPTRXKILHCMC-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	C7H5N5O1
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	176.056689815
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	3.9189933693842254 ppm
mass error Create New Query Add to Query	-6.899650000207203E-4 Da