Name | Value |
---|---|
C6H7N5O | |
165.06505984400002 | |
N=C1N=C(OC)C=2N=CNC2N1 | |
InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11) | |
BXJHWYVXLGLDMZ-UHFFFAOYSA-N |
Name | Value |
---|---|
CC BY 4.0 | |
VAN-GUX-006_O6-MeG_CID_10.txt | |
positive | |
Jingshu Guo PhD, Peter Villalta PhD, Scott Walmsley PhD, Masonic Cancer Center, Univ. Of Minnesota and Marcus Cooke PhD, Anthony DeCaprio PhD, Anamary Tarifa PhD, Florida Int. Univ. | |
Florida International University and Masonic Cancer Center, University of Minnesota | |
Development of a DNA-adductome database, NIEHS: 1R03ES03118801 (PI: Guo, J.) | |
Guo J, Turesky RJ, et al., Chem. Res. Toxicol. 33, 852-854. [PMID: 32223224] | |
consensus spectrum | |
DNA adduct | |
C6H7N5O | |
165.06502 | |
Synthetic standard | |
Orbitrap Fusion, Thermo Scientific. | |
ESI-FT | |
2.2 kV | |
MS2 | |
0.5 uL/min | |
nanospray inlet | |
acetonitrile-water (1:1) with 0.05% formic acid | |
50000 | |
10% (nominal) | |
N2 | |
CID | |
ESI | |
120000 | |
300 C | |
1.314278449613338 | |
0.8166071144836115 | |
166.0723 | |
[M+H]+ | |
4.394736509373578 ppm | |
-7.298440000056416E-4 Da |