MassBank of North America

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Name	Value
InChIKey Create New Query Add to Query	DZTHIGRZJZPRDV-LBPRGKRZSA-N
InChI Create New Query Add to Query	InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1
molecular formula Create New Query Add to Query	C13H14N2O3
total exact mass Create New Query Add to Query	246.10044230799997
SMILES Create New Query Add to Query	O=C(O)C(N=C(O)C)CC1=CNC=2C=CC=CC21

Name	Value
formula Create New Query Add to Query	C13H14N2O3
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-POS.msp
ionization mode Create New Query Add to Query	positive
spectral entropy Create New Query Add to Query	2.779785824122377
normalized entropy Create New Query Add to Query	0.7345788908691939
precursor m/z Create New Query Add to Query	515.19
precursor type Create New Query Add to Query	2M+Na
mass accuracy Create New Query Add to Query	1.27063025273419 ppm
mass error Create New Query Add to Query	-6.546159999061274E-4 Da