MassBank of North America

Rating: ★★★☆☆

Name	Value
InChI Create New Query Add to Query	InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKey Create New Query Add to Query	OUYCCCASQSFEME-QMMMGPOBSA-N
molecular formula Create New Query Add to Query	C9H11NO3
total exact mass Create New Query Add to Query	181.073893212
SMILES Create New Query Add to Query	O=C(O)C(N)CC1=CC=C(O)C=C1

Name	Value
formula Create New Query Add to Query	C9H11NO3
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	1.4352005744904939
normalized entropy Create New Query Add to Query	0.3748589710717196
precursor m/z Create New Query Add to Query	182.081
precursor type Create New Query Add to Query	M+H
mass accuracy Create New Query Add to Query	4.740813154656093 ppm
mass error Create New Query Add to Query	-8.632120000129362E-4 Da