MassBank of North America

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Name	Value
InChI Create New Query Add to Query	InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
InChIKey Create New Query Add to Query	ODHCTXKNWHHXJC-VKHMYHEASA-N
molecular formula Create New Query Add to Query	C5H7NO3
total exact mass Create New Query Add to Query	129.04259308399998
SMILES Create New Query Add to Query	O=C(O)C1N=C(O)CC1

Name	Value
formula Create New Query Add to Query	C5H7NO3
retention time Create New Query Add to Query	CCS:
instrumenttype Create New Query Add to Query	ESI-Orbitrap
instrument Create New Query Add to Query	Orbitrap
origin Create New Query Add to Query	GNPS-NUTRI-METAB-FEM-NEG.msp
ionization mode Create New Query Add to Query	negative
spectral entropy Create New Query Add to Query	1.0581183828939467
normalized entropy Create New Query Add to Query	0.3247658166496508
precursor m/z Create New Query Add to Query	128.035
precursor type Create New Query Add to Query	M-H
mass accuracy Create New Query Add to Query	2.4765415705721026 ppm
mass error Create New Query Add to Query	-3.1708399998819914E-4 Da