MassBank of North America

Rating: ★★★☆☆

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-POS.msp
ionization mode Create New Query Add to Query	positive
spectral entropy Create New Query Add to Query	2.888108842698778
normalized entropy Create New Query Add to Query	0.7420971734231606
precursor m/z Create New Query Add to Query	154.05
precursor type Create New Query Add to Query	M+H
mass accuracy Create New Query Add to Query	3.655202856166092 ppm
mass error Create New Query Add to Query	-5.630839999923865E-4 Da