TABLE 1.
Optimized mass spectrum parameters for quantification of ASD, internal standards and metabolites (M1–M5).
| Analytes | Mw (Da) | Predecessor ion | Q1 (m/z) | Q3 (m/z) | DP (V) | CE (eV) | CXP (V) | EP (V) | CUR (psi) | GS1 (psi) | GS2 (psi) | ISV (V) | TEM (°C) |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| M0 | 929.10 | [M+HCOO]- | 973.6 | 603.3 | −80 | −50 | −13 | −10 | 20 | 45 | 45 | −4,500 | 400 |
| M3 | 634.84 | [M+HCOO]- | 679.4 | 471.3 | −100 | −25 | −13 | −10 | 20 | 45 | 45 | −4,500 | 400 |
| M4 | 604.81 | [M+HCOO]- | 649.4 | 603.4 | −30 | −35 | −13 | −10 | 20 | 45 | 45 | −4,500 | 400 |
| M5 | 472.70 | [M-H]- | 471.4 | 393.3 | −160 | −55 | −25 | −10 | 20 | 45 | 45 | −4,500 | 400 |
| M1 | 796.98 | [M+HCOO]- | 841.4 | 471.4 | −100 | −38 | −13 | −10 | 20 | 45 | 45 | −4,500 | 400 |
| M2 | 766.95 | [M+HCOO]- | 811.4 | 603.4 | −100 | −38 | −13 | −10 | 20 | 45 | 45 | −4,500 | 400 |
| IS | 254.28 | [M-H]- | 253.2 | 209.1 | −10 | −10 | −18 | −10 | 20 | 45 | 45 | −4,500 | 400 |
Q1: precursor ion; Q3: product ion; DP: declustering potential; EP: entrance potential; CE: collision energy; CXP: collision exit potential; CUR: curtain gas; GS1: nebulizer gas; GS2: heater gas; ISV: ion spray voltage; TEM: ion spray temperature; IS: internal standards.