MS settings for identification of metabolites
| Full Scan | dd-MS2 | tMS2 | |
|---|---|---|---|
| Resolution | 70,000 | 17,500 | 17,500 |
| AGC target | 3e6 | 1e5 | 2e5 |
| Maximum injection time (ms) | 100 | 50 | 100 |
| Scan range | 200–750 | — | — |
| Isolation window | 2.0 m/z | 1 m/z | |
| NCE | — | 35 | 35 |
| Underfill ratio | 0.1% |
dd-MS2, data-dependent tandem MS; tMS2, targeted tandem MS.