MassBank of North America

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Name	Value
molecular formula Create New Query Add to Query	C14H16N6O
total exact mass Create New Query Add to Query	284.138559132
SMILES Create New Query Add to Query	OC(C=1C=NC=CC1)CCCNC=2N=CN=C3NC=NC32
InChI Create New Query Add to Query	InChI=1S/C14H16N6O/c21-11(10-3-1-5-15-7-10)4-2-6-16-13-12-14(18-8-17-12)20-9-19-13/h1,3,5,7-9,11,21H,2,4,6H2,(H2,16,17,18,19,20)
InChIKey Create New Query Add to Query	DJZALFYLCURUSC-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	50
formula Create New Query Add to Query	C14H16N6O1
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	285.145839202
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	2.4195688843021275 ppm
mass error Create New Query Add to Query	-6.899300000213771E-4 Da