MassBank of North America

Rating: ★★★☆☆

Name	Value
InChI Create New Query Add to Query	InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
InChIKey Create New Query Add to Query	QIAFMBKCNZACKA-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C9H9NO3
total exact mass Create New Query Add to Query	179.05824314799997
SMILES Create New Query Add to Query	O=C(O)CN=C(O)C=1C=CC=CC1

Name	Value
formula Create New Query Add to Query	C9H9NO3
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
mass accuracy Create New Query Add to Query	1.1837215241736485 ppm
mass error Create New Query Add to Query	-2.131479999718522E-4 Da
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	2.1924288490507347
normalized entropy Create New Query Add to Query	0.5126490560724795
precursor m/z Create New Query Add to Query	180.066
precursor type Create New Query Add to Query	M+H