MassBank of North America

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Name	Value
InChIKey Create New Query Add to Query	FSBIGDSBMBYOPN-VKHMYHEASA-N
molecular formula Create New Query Add to Query	C5H12N4O3
total exact mass Create New Query Add to Query	176.090940244
SMILES Create New Query Add to Query	O=C(O)C(N)CCONC(=N)N
InChI Create New Query Add to Query	InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C5H12N4O3
exact mass Create New Query Add to Query	176.0909402
retention time Create New Query Add to Query	0.238586111
spectrum entropy Create New Query Add to Query	1.7491748332977295
origin Create New Query Add to Query	hcd_lib.msp
ionization mode Create New Query Add to Query	positive
spectral entropy Create New Query Add to Query	1.7491747923553518
normalized entropy Create New Query Add to Query	0.6173819546716934
precursor m/z Create New Query Add to Query	177.0982167
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	3.9161546226944957 ppm
mass error Create New Query Add to Query	-6.935440000006565E-4 Da