Table 1 Mass spectrometry parameters for 16 PT dinucleotides and canonical 2’-deoxyribonucleotides
From: Temporal dynamics and metagenomics of phosphorothioate epigenomes in the human gut microbiome
Compound | Exact mass | Precursor ion | Product ion | Retention time (min) | Collision energy | Cell accelerator voltage |
|---|---|---|---|---|---|---|
d(A*A) | 581.14388 | 581.1 | 136.1 | 12.4–12.5 | 40 | 3 |
d(A*C) | 557.13264 | 557.1 | 136.1 | 10.9–11.0 | 32 | 3 |
|  | 557.1 | 112.1 | 10.9–11.0 | 24 | 3 | |
d(A*G) | 597.13879 | 597.1 | 152.1 | 9.61–9.70 | 48 | 5 |
| Â | 597.1 | 136.1 | 9.70 | 36 | 1 | |
d(A*T) | 573.13231 | 572.1 | 136.1 | 14.8 | 32 | 1 |
| Â | 572.1 | 127.1 | 14.8 | 48 | 5 | |
d(C*A) | 557.13264 | 557.1 | 136.1 | 8.27–8.29 | 32 | 1 |
|  | 557.1 | 112.1 | 8.27–8.29 | 28 | 3 | |
d(C*C) | 533.12141 | 533.1 | 112.1 | 5.31–5.47 | 16 | 5 |
d(C*G) | 573.12756 | 573.1 | 152.1 | 5.11–5.31 | 32 | 1 |
|  | 573.1 | 112.1 | 5.11–5.31 | 32 | 5 | |
d(C*T) | 548.12108 | 548.1 | 127.1 | 8.79–8.81 | 36 | 5 |
|  | 548.1 | 112.1 | 8.79–8.81 | 28 | 5 | |
d(G*A) | 597.13879 | 597.1 | 152.1 | 9.61–9.70 | 28 | 3 |
|  | 597.1 | 136.1 | 9.61–9.70 | 32 | 1 | |
d(G*C) | 573.12756 | 573.1 | 152.1 | 7.64–7.65 | 32 | 5 |
|  | 573.1 | 112.1 | 7.64–7.65 | 40 | 3 | |
d(G*G) | 613.13371 | 613.1 | 152.1 | 7.14–7.20 | 36 | 3 |
d(G*T) | 588.12722 | 588.1 | 152.1 | 11.5–11.6 | 32 | 5 |
|  | 588.1 | 127.1 | 11.5–11.6 | 40 | 3 | |
d(T*A) | 573.13231 | 572.1 | 136.1 | 12.92 | 28 | 3 |
| Â | 572.1 | 127.1 | 12.9 | 44 | 3 | |
d(T*C) | 548.12108 | 548.1 | 127.1 | 10.1–10.2 | 44 | 1 |
|  | 548.1 | 112.1 | 10.1–10.2 | 24 | 5 | |
d(T*G) | 588.12722 | 588.1 | 152.1 | 9.18–9.20 | 32 | 5 |
|  | 588.1 | 127.1 | 9.18–9.20 | 48 | 1 | |
d(T*T) | 563.12074 | 563.1 | 127.1 | 14.4 | 40 | 5 |
dA | 252.10912 | 252.1 | 136.1 | 5.23 | 12 | 1 |
dC | 228.09788 | 228.1 | 112.1 | 1.45 | 16 | 1 |
dG | 268.10403 | 268.1 | 152.1 | 2.71 | 4 | 3 |
dT | 243.09755 | 243.1 | 127.1 | 3.22 | 12 | 1 |