MassBank of North America

Rating: ★★★★☆

Name	Value
molecular formula Create New Query Add to Query	C17H27NO2
total exact mass Create New Query Add to Query	277.204179104
SMILES Create New Query Add to Query	O=C(NCC(C)CC)C1=CC(CC)CC2C(=O)CCC12
InChI Create New Query Add to Query	InChI=1S/C17H27NO2/c1-4-11(3)10-18-17(20)15-9-12(5-2)8-14-13(15)6-7-16(14)19/h9,11-14H,4-8,10H2,1-3H3,(H,18,20)
InChIKey Create New Query Add to Query	GANCTHYOYGVYND-UHFFFAOYSA-N

Name	Value
ion source Create New Query Add to Query	LC-ESI
compound source Create New Query Add to Query	Isolated
instrument Create New Query Add to Query	Orbitrap
exact mass Create New Query Add to Query	277.204
charge state Create New Query Add to Query	1
source file Create New Query Add to Query	t.f0c337f3d4f44e9aa5acc3f2f2a84ad0/spectra/specs_ms.mgf;
ms level Create New Query Add to Query	MS2
origin Create New Query Add to Query	GNPS-LIBRARY
author Create New Query Add to Query	Dawn R.D. Bignell, jingyul, Jingyu Liu
ionization mode Create New Query Add to Query	negative
spectral entropy Create New Query Add to Query	1.2133577880673698
normalized entropy Create New Query Add to Query	0.35010105273375924
precursor m/z Create New Query Add to Query	276.202
precursor type Create New Query Add to Query	[M-H]-
mass accuracy Create New Query Add to Query	18.45350866394067 ppm
mass error Create New Query Add to Query	0.0050968959999977415 Da