Table 1 DOX-DNA adduct masses detected by untargeted screening from reaction of DOX with purified DNA in the presence of formaldehyde. Only the masses that triggered an MS3 fragmentation event in the DOX-exposed samples, but not in the negative control samples (unreacted DNA and buffer and enzymes used for the DNA hydrolysis) are reported. dR: 2′-deoxyribose, A: adenine, G: guanine, C: cytosine
No. | Parent Mass (m/z) | Product Mass (m/z) | Neutral Loss | Proposed Chemical Formula | CT-DNA | 14N- and 15N-DNA Coupling |
|---|---|---|---|---|---|---|
1 | 340.1609 | 224.1124 | dR | C12H20O4N8 | x | x |
2 | 415.1584 | 264.1085 | G | C16H19O4N10 | x | x |
299.1103 | dR | x | x | |||
3 | 531.2062 | 415.1577 | dR | C21H27O7N10 | x | x |
4 | 582.1646 | 447.1082 | A | C5H31O10N17P3 | x | x |
5 | 598.1609 | 447.1110 | G | C15H27O12N12P | x | |
6 | 609.1567 | 458.1090 | G | C24H17O5N16 | x | x |
7 | 680.1830 | 564.1360 | dR | C27H38O6N7P4 | x | x |
8 | 735.1529 | 624.1096 | C | C28H35O8N8P4 | x | |
9 | 809.2622 | 693.2137 | dR | C26H39O9N18P2 | x | x |