MassBank of North America

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Name	Value
molecular formula Create New Query Add to Query	C11H15N5O4
total exact mass Create New Query Add to Query	281.11240396
SMILES Create New Query Add to Query	OCC1OC(N2C=NC=3C(=NC=NC32)NC)C(O)C1O
InChI Create New Query Add to Query	InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)
InChIKey Create New Query Add to Query	VQAYFKKCNSOZKM-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	10
formula Create New Query Add to Query	C11H15N5O4
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	282.119684055
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	2.4454337608964787 ppm
mass error Create New Query Add to Query	-6.89905000001545E-4 Da