MassBank of North America

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Name	Value
InChIKey Create New Query Add to Query	KWIUHFFTVRNATP-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C5H11NO2
total exact mass Create New Query Add to Query	117.078978592
SMILES Create New Query Add to Query	O=C([O-])C[N+](C)(C)C
InChI Create New Query Add to Query	InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C5H11NO2
exact mass Create New Query Add to Query	117.0789786
retention time Create New Query Add to Query	9.821421753
spectrum entropy Create New Query Add to Query	0.6773673295974731
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	0.6773672718632646
normalized entropy Create New Query Add to Query	0.9772344039776182
precursor m/z Create New Query Add to Query	118.0862551
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	5.872758005655088 ppm
mass error Create New Query Add to Query	-6.93491999996354E-4 Da