Table S1.
Mass spectrometry parameters for MRM transitions for the analyzed compounds.
| Compound | MRM Transition (m/z) | CID Voltage (V) | |||||
|---|---|---|---|---|---|---|---|
|
|
|
||||||
| Precursor Q1 | Product Q3 | Fragmentation | DP | EP | CE | CXP | |
| AMP15N5 (352.1 g/mol) | 351 | 79 a | [PO3]− | −79 | −5 | −40 | −6 |
| 97 | [PO3H–OH]− | −32 | −6 | ||||
| ATP (507.17 g/mol) | 506 | 159 a | [(PO3)2H]− | −62 | −8 | −41 | −2 |
| 408 | [C10H8N4O2NH2(OH)2(PO3H) (PO2)]− | −30 | −6 | ||||
| ADP (427.20 g/mol) | 426 | 134 a | [C5H4N5]− | −64 | −11 | −30 | −6 |
| 159 | [(PO3)2H]− | −31 | −3 | ||||
| AMP (347.20 g/mol) | 346 | 79 a | [PO3]− | −84 | −3 | −55 | −3 |
| 97 | [PO3H–OH]− | −30 | −4 | ||||
| Ade (135.13 g/mol) | 134 | 107 a | [C4H3N4]− | −81 | −8 | −24 | −6 |
| 65 | [C3HN2]− | −40 | −2 | ||||
a
MRM transition for quantitative analysis.