MassBank of North America

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Name	Value
InChIKey Create New Query Add to Query	CQOVPNPJLQNMDC-ZETCQYMHSA-N
molecular formula Create New Query Add to Query	C9H14N4O3
total exact mass Create New Query Add to Query	226.10659030799997
SMILES Create New Query Add to Query	O=C(O)C(N=C(O)CCN)CC1=CN=CN1
InChI Create New Query Add to Query	InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C9H14N4O3
exact mass Create New Query Add to Query	226.1065903
retention time Create New Query Add to Query	2.893774851
spectrum entropy Create New Query Add to Query	1.6390659809112549
origin Create New Query Add to Query	hcd_lib.msp
ionization mode Create New Query Add to Query	negative
spectral entropy Create New Query Add to Query	1.6390660075460743
normalized entropy Create New Query Add to Query	0.7459710875495383
precursor m/z Create New Query Add to Query	261.0759923
precursor type Create New Query Add to Query	[M+Cl]-
mass accuracy Create New Query Add to Query	1852.3266108831 ppm
mass error Create New Query Add to Query	-0.4835980080000013 Da