Table 2.
Putative annotations of the ten VIP compounds common between drug naïve PD and medicated PD analyses (VIP > 1).
| (A) Putative annotations have been assigned using accurate mass and MS/MS fragmentation matched against Lipid Maps database (LMSD) and Lipid Blast. | |||
|---|---|---|---|
| Feature | Putative annotation (Accurate mass & MS/MS fragmentation) | Expression drug naïve PD (fold change) | Expression medicated PD (fold change) |
| m/z 825.6939 | TG(50:5) | ↓ (0.77) | ↓ (0.64) |
| m/z 764.5681 | HexCer(36:2) | ↑ (1.15) | ↑ (1.10) |
| m/z 666.6370 | Cer(42:0) | ↓ (0.60) | ↓ (0.47) |
| m/z 638.6067 | Cer(40:0) | ↓ (0.61) | ↓ (0.47) |
| m/z 610.5763 | Cer(38:1) | ↓ (0.63) | ↓ (0.48) |
| (B) Putative annotations have been assigned using accurate mass measurements matched against Lipid Maps (LMSD and COMP_DB) and METLIN databases. | ||||
|---|---|---|---|---|
| Measured feature | Database matche(s) (accurate mass) | Formula | Expression drug naïve PD (Fold change) | Expression medicated PD (Fold change) |
| m/z 414.4308 | FA(26:0) | C26H52O2 | ↑ (1.23) | ↓ (0.84) |
| Methyl pentacosanoate | ||||
| m/z 358.3677 | FA(22:0)* | C22H44O2 | ↓ (0.81) | ↓ (0.78) |
| m/z 194.1396 | FA(8:0) | C8H16O4 | ↑ (1.74) | ↑ (1.78) |
| l-Cladinose | ||||
| Metaldehyde† | ||||
| m/z 550.6277 | – | – | ↑ (1.33) | ↑ (1.10) |
| m/z 368.4242 | – | – | ↓ (0.15) | ↓ (0.14) |
TG triacylglyceride, HexCer hexosylceramide, Cer ceramide FA fatty acyl.
†Pesticide.