MassBank of North America

Rating: ★★★★☆

Name	Value
molecular formula Create New Query Add to Query	C5H6N2O3
total exact mass Create New Query Add to Query	142.03784205199997
SMILES Create New Query Add to Query	O=C1NC=C(C(=O)N1)CO
InChI Create New Query Add to Query	InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)
InChIKey Create New Query Add to Query	JDBGXEHEIRGOBU-UHFFFAOYSA-N

Name	Value
instrumenttype Create New Query Add to Query	ESI-ITFT
instrument Create New Query Add to Query	LTQ Orbitrap Fusion Tribrid, Thermo Scientfic
collisiontype Create New Query Add to Query	hcd
collision energy Create New Query Add to Query	80
formula Create New Query Add to Query	C5H6N2O3
mstype Create New Query Add to Query	2
origin Create New Query Add to Query	20231130_DNA-Adduct_CombinedDB.msp
spectral entropy Create New Query Add to Query	1.2069443655321348
normalized entropy Create New Query Add to Query	0.7499166983750012
ionization mode Create New Query Add to Query	positive
precursor m/z Create New Query Add to Query	143.045122104
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	4.823289251845346 ppm
mass error Create New Query Add to Query	-6.899479999731284E-4 Da