MassBank of North America

Rating: ★★★☆☆

Name	Value
InChI Create New Query Add to Query	InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
InChIKey Create New Query Add to Query	MVAWJSIDNICKHF-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C12H14N2O2
total exact mass Create New Query Add to Query	218.105527688
SMILES Create New Query Add to Query	OC=1C=CC=2NC=C(C2C1)CCN=C(O)C

Name	Value
formula Create New Query Add to Query	C12H14N2O2
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	1.4995581602943595
normalized entropy Create New Query Add to Query	0.3742035141526092
precursor m/z Create New Query Add to Query	217.098
precursor type Create New Query Add to Query	M-H
mass accuracy Create New Query Add to Query	1.1593289666033104 ppm
mass error Create New Query Add to Query	-2.516879999916455E-4 Da