MassBank of North America

Rating: ★★★☆☆

Name	Value
InChI Create New Query Add to Query	InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
InChIKey Create New Query Add to Query	BDJRBEYXGGNYIS-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C9H16O4
total exact mass Create New Query Add to Query	188.104858992
SMILES Create New Query Add to Query	O=C(O)CCCCCCCC(=O)O

Name	Value
formula Create New Query Add to Query	C9H16O4
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	2.286549381141877
normalized entropy Create New Query Add to Query	0.5584653041269471
precursor m/z Create New Query Add to Query	171.101
precursor type Create New Query Add to Query	M-H2O+H
mass accuracy Create New Query Add to Query	20.520090472900872 ppm
mass error Create New Query Add to Query	0.0035110080000038124 Da