MassBank of North America

Rating: ★★★★☆

Name	Value
molecular formula Create New Query Add to Query	C22H20N4O5
total exact mass Create New Query Add to Query	420.14336974
SMILES Create New Query Add to Query	O=C1C(=CC=2C=CC=C(O)C2)N(C(=O)C(N1C)CC3=CNC4=CC=CC(=C43)[N+](=O)[O-])C
InChI Create New Query Add to Query	InChI=1S/C22H20N4O5/c1-24-18(10-13-5-3-6-15(27)9-13)21(28)25(2)19(22(24)29)11-14-12-23-16-7-4-8-17(20(14)16)26(30)31/h3-10,12,19,23,27H,11H2,1-2H3/b18-10+/t19-/m0/s1
InChIKey Create New Query Add to Query	IZOWWISJSDKJLC-VBIXMBBUSA-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	420.143
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	positive
spectral entropy Create New Query Add to Query	2.6205621594166146
normalized entropy Create New Query Add to Query	0.5963346183287335
precursor m/z Create New Query Add to Query	421.151
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	0.8066940361422716 ppm
mass error Create New Query Add to Query	-0.00033974000001535387 Da