MassBank of North America

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Name	Value
InChIKey Create New Query Add to Query	DFPAKSUCGFBDDF-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C6H6N2O
total exact mass Create New Query Add to Query	122.048012812
SMILES Create New Query Add to Query	N=C(O)C=1C=NC=CC1
InChI Create New Query Add to Query	InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C6H6N2O
exact mass Create New Query Add to Query	122.0480128
retention time Create New Query Add to Query	1.699553805
spectrum entropy Create New Query Add to Query	1.2149385213851929
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	1.2149386268371638
normalized entropy Create New Query Add to Query	0.5529423980456658
precursor m/z Create New Query Add to Query	123.0552893
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	5.63577562527423 ppm
mass error Create New Query Add to Query	-6.935119999980088E-4 Da