MassBank of North America

Rating: ★★★☆☆

Name	Value
molecular formula Create New Query Add to Query	C15H19N3O5
total exact mass Create New Query Add to Query	321.132470708
SMILES Create New Query Add to Query	O=C1N2C=C(N=C2C=CN1C3OC(CO)C(O)C3)CC(=O)CC
InChI Create New Query Add to Query	InChI=1S/C15H19N3O5/c1-2-10(20)5-9-7-18-13(16-9)3-4-17(15(18)22)14-6-11(21)12(8-19)23-14/h3-4,7,11-12,14,19,21H,2,5-6,8H2,1H3/t11-,12+,14+/m0/s1
InChIKey Create New Query Add to Query	IYFKMUDACJTFGO-OUCADQQQSA-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	cid
collision energy Create New Query Add to Query	50
formula Create New Query Add to Query	C15H19N3O5
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	0.0
normalized entropy Create New Query Add to Query	NaN
ionization mode Create New Query Add to Query	positive
precursor m/z Create New Query Add to Query	322.139750821
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	2.141576748175714 ppm
mass error Create New Query Add to Query	-6.898870000213719E-4 Da