Table 1. LC-MS/MS instrument conditions for targeted lipidomic analysis.
| Lipid Class/Subclass | Parent Ion | Fragmentation | No. of Lipid Species | ISTD | ISTD (pmol)/Sample | Collision Energy (V) |
|---|---|---|---|---|---|---|
| Sphingosine | [M + H]+ | NL, 18.0 Da | 4 | Sph(d17:1) | 20 | 8 |
| Sphingosine-1-phosphate | [M + H]+ | sphingoid-base specific | 4 | Sph(d17:1) | 25 | 10 |
| Dihydroceramide | [M + H]+ | sphingoid-base specific | 6 | dhCer(d18:0/8:0) | 50 | 31 |
| Ceramide | [M + H]+ | sphingoid-base specific | 50 | Cer(d18:1-d7/17:0) | 50 | 25 |
| Deoxyceramide | [M + H]+ | sphingoid-base specific | 11 | Cer(d18:1/17:0) | 50 | 25 |
| Monohexosylceramide | [M + H]+ | sphingoid-base specific | 14 | HexCer (d18:1/16:0) d3 | 50 | 33 |
| Dihexosylceramide | [M + H]+ | sphingoid-base specific | 10 | Hex2Cer(d18:1/16:0) d3 | 50 | 53 |
| Trihexosylcermide | [M + H]+ | PI, m/z 264.3 | 6 | Hex3Cer(d18:1/17:0) | 25 | 57 |
| GM3 ganglioside | [M + H]+ | sphingoid base | 8 | Hex3Cer(d18:1/17:0) | 25 | 57 |
| GM1 ganglioside | [M + 2H]2+ | PI, m/z 366.2 | 1 | Hex3Cer(d18:1/17:0) | 25 | 9 |
| Sulfatide | [M + H]+ | PI, m/z 264.3 | 10 | sulfatide(d18:1/12:0) | 10 | 56 |
| Ceramide-1-phosphate | [M + H]+ | PI, m/z 264.3 | 1 | Cer(d18:1/17:0) | 50 | 29 |
| Sphingomyelin | [M + H]+ | PI, m/z 184.1 | 44 | SM(d18:1/12:0) | 100 | 25 |
| Phosphatidylcholine | [M + H]+ | PI, m/z 184.1 | 70 | PC(13:0/13:0) | 100 | 21 |
| Alkylphosphatidylcholine | [M + H]+ | PI, m/z 184.1 | 22 | PC(13:0/13:0) | 100 | 21 |
| Alkenylphosphatidylcholine | [M + H]+ | PI, m/z 184.1 | 26 | PC(13:0/13:0) | 100 | 21 |
| Lysophosphatidylcholine | [M + H]+ | PI, m/z 184.1 and m/z 104.1 | 61 | LPC(13:0) | 100 | 21 |
| Lysoalkylphosphatidylcholine | [M + H]+ | PI, m/z 104.1 | 10 | LPC(13:0) | 100 | 21 |
| Lysoalkenylphosphatidylcholine | [M + H]+ | PI, m/z 104.1 | 6 | LPC(13:0) | 100 | 21 |
| Phosphatidylethanolamine | [M + H]+ | NL, 141.0 Da | 37 | PE(17:0/17:0) | 100 | 17 |
| Alkylphosphatidylethanolamine | [M + H]+ | NL, 141.0 Da | 14 | PE(17:0/17:0) | 100 | 17 |
| Alkenylphosphatidylethanolamine | [M + H]+ | acyl-chain specific | 54 | PE(17:0/17:0) | 100 | 17 |
| Lysophosphatidylethanolamine | [M + H]+ | NL, 141.0 Da | 14 | PE(17:0/17:0) | 100 | 17 |
| Lysoalkenylphosphatidylethanolamine | [M + H]+ | NL, 171.9 Da | 4 | PE(17:0/17:0) | 100 | 19 |
| Phosphatidylinositol | [M + NH4]+ | NL, 277.0 Da | 27 | PE(17:0/17:0) | 100 | 17 |
| Lysophosphatidylinositol | [M + NH4]+ | NL, 277.0 Da | 8 | LPI(13:0) | 20 | 17 |
| Phosphatidylserine | [M + H]+ | NL, 185.0 Da | 7 | PS(17:0/17:0) | 50 | 25 |
| Phosphatidylglycerol | [M + NH4]+ | NL, 189.0 Da | 4 | PG(17:0/17:0) | 50 | 21 |
| Free cholesterol | [M + NH4]+ | PI, m/z 369.3 | 1 | COH d7 | 10,000 | 23 |
| Dehydrocholesterol | [M + NH4]+ | PI, m/z 369.4 | 4 | CE(18:0) d6 | 1,000 | 23 |
| Cholesteryl ester | [M + NH4]+ | PI, m/z 369.3 | 28 | CE(18:0) d6 | 1,000 | 10 |
| Acylcarnitines | [M + H]+ | PI, m/z 85.1 | 14 | Acylcarnitine(16:0) d3 | 10 | 30 |
| Diacylglycerol | [M + NH4]+ | NL, fatty acid | 25 | DG(15:0/15:0) | 200 | 21 |
| Triacylglycerol | [M + NH4]+ | NL, fatty acid | 112 | TG(17:0/17:0/17:0) | 100 | 21 |
| Alkyl-diacylglycerol | [M + NH4]+ | NL, fatty acid | 28 | TG(17:0/17:0/17:0) | 100 | 21 |
| Ubiquinone | [M + NH4]+ | PI, m/z 197.0 | 1 | Hex3Cer(d18:1/17:0) | 50 | 21 |
Abbreviations: CE, cholesteryl ester; Cer, ceramide; Cer-1-P, ceramide-1-phosphate; COH, free cholesterol; DE, dehydrocholesterol; deoxyCer, deoxyceramide; DG, diacylglycerol; dhCer, dihydroceramide; GM3/1, GM3/GM1 ganglioside; HexCer, monohexosylceramide; Hex2Cer, dihexosylceramide; Hex3Cer, trihexosylceramide; ISTD, internal standard; LC-M/MS, liquid chromatography tandem mass-spectrometry; LPC, lysophosphatidylcholine; LPC(O), lysoalkylphosphatidylcholine; LPC(P), lysoalkenylphosphatidylcholine; LPE, lysophosphatidylethanolamine; LPE(P), lysoalkenylphosphatidylethanolamine; LPI, lysophosphatidylinositol; NL, neutral loss; PC, phosphatidylcholine; PC(O), alkylphosphatidylcholine; PC(P), alkenylphosphatidylcholine; PE, phosphatidylethanolamine; PE(O), alkylphosphatidylethanolamine; PE(P), alkenylphosphatidylethanolamine; PG, phosphatidylglycerol; PI, phosphatidylinositol; PS, phosphatidylserine; SM, sphingomyelin; Sph, sphingosine; S-1-P, sphingosine-1-phosphate; TG, triacylglycerol; TG(O), alkyl-diacylglycerol.