MassBank of North America

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Name	Value
InChIKey Create New Query Add to Query	UHDGCWIWMRVCDJ-XVFCMESISA-N
molecular formula Create New Query Add to Query	C9H13N3O5
total exact mass Create New Query Add to Query	243.085520516
SMILES Create New Query Add to Query	N=C1N=C(O)N(C=C1)C2OC(CO)C(O)C2O
InChI Create New Query Add to Query	InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1

Name	Value
retention time Create New Query Add to Query	0.33
reference rt Create New Query Add to Query	[0.328]
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C9H13N3O5
exact mass Create New Query Add to Query	243.085520516
spectrum entropy Create New Query Add to Query	0.8303888678414351
origin Create New Query Add to Query	QTTOF_pos.msp
spectral entropy Create New Query Add to Query	0.8588945016268241
normalized entropy Create New Query Add to Query	0.20810916764403836
ionization mode Create New Query Add to Query	positive
precursor m/z Create New Query Add to Query	244.0926226749428
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	3.5553760195784037 ppm
mass error Create New Query Add to Query	-8.678410572144912E-4 Da