MassBank of North America

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Name	Value
InChI Create New Query Add to Query	InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)
InChIKey Create New Query Add to Query	WJXSWCUQABXPFS-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C7H7NO3
total exact mass Create New Query Add to Query	153.042593084
SMILES Create New Query Add to Query	O=C(O)C=1C=CC=C(O)C1N

Name	Value
formula Create New Query Add to Query	C7H7NO3
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	3.3453524495009166
normalized entropy Create New Query Add to Query	0.850839473057444
precursor m/z Create New Query Add to Query	327.06
precursor type Create New Query Add to Query	2M-2H+Na