MassBank of North America

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Name	Value
total exact mass Create New Query Add to Query	169.037507704
InChI Create New Query Add to Query	InChI=1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)
InChIKey Create New Query Add to Query	KSPQDMRTZZYQLM-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C7H7NO4
SMILES Create New Query Add to Query	O=C(O)CNC(=O)C=1OC=CC1

Name	Value
formula Create New Query Add to Query	C7H7NO4
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	3.1903800300844605
normalized entropy Create New Query Add to Query	0.8482345878839677
precursor m/z Create New Query Add to Query	361.064
precursor type Create New Query Add to Query	2M+Na
mass accuracy Create New Query Add to Query	2.175259787774249 ppm
mass error Create New Query Add to Query	-7.854080000129215E-4 Da