Table 2 Optimal MS/MS parameters including SRM transition, collision energy and RF lens for target metabolites
Analyte | Retention time (min) | Polarity | Q1 (m/z) | Q3 (m/z) | CE (V) | RF lens (V) |
|---|---|---|---|---|---|---|
Salicylic acid 2-O-β-D-glucoside | 3.0 | Negative | 299.1 | 137.1 | 15 | 68 |
2,3-Dihydroxybenzoic acid | 4.4 | Negative | 153.0 | 109.1 | 16 | 51 |
2,5-Dihydroxybenzoic acid -d3 (IS) | 4.0 | Negative | 156.0 | 111.1 | 23 | 57 |
Salicylic acid | 6.2 | Negative | 137.3 | 93.1 | 17 | 50 |
Jasmonic acid | 7.3 | Negative | 209.0 | 59.1 | 13 | 48 |
Salicylic acid -d6 (IS) | 6.2 | Negative | 141.3 | 97.1 | 17 | 45 |
Methyl salicylate | 8.6 | Positive | 153.1 | 121.1 | 15 | 43 |
Methyl salicylate-d4 (IS) | 8.6 | Positive | 157.1 | 125.1 | 15 | 50 |