Name | Value |
---|---|
C6H7N5O | |
165.065059844 | |
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 |
---|---|
VAN-GUX-006_O6-MeG_HCD_80.txt | |
Jingshu Guo PhD, Peter Villalta PhD, Scott Walmsley PhD, Masonic Cancer Center, Univ. Of Minnesota | |
CC BY 4.0 | |
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 | |
165.06507 | |
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 | |
80% (nominal) | |
N2 | |
HCD | |
ESI | |
120000 | |
300 C | |
positive | |
0.0 | |
NaN | |
166.07235 | |
[M+H]+ | |
4.093661587794542 ppm | |
-6.79843999989771E-4 Da |