Table 1.
Subset of representative CL and MLCL species identified using high mass resolution/high mass accuracy and tandem mass spectrometry analysis.
| Measured m/z [a] | Tentative Attribution [b] | FA Composition of Major Species |
Exact m/z | Mass Error (ppm) [c] | Proposed Formula |
|---|---|---|---|---|---|
| 582.379 | MLCL(52:2) 2− | 582.379 | 0.2 | C61H114O16P2 | |
| 593.372 | MLCL(54:4) 2− | 593.371 | 1.2 | C63H112O16P2 | |
| 606.38 | MLCL(56:5) 2− | 606.379 | 1.5 | C65H114O16P2 | |
| 618.38 | MLCL(58:8) 2− | 618.379 | 1.4 | C67H114O16P2 | |
| 712.487 | [CL(70:5)-2H] 2− | 18:2_18:1_18:1_16:1 | 712.487 | 0.4 | C79H144O17P2 |
| 18:2_18:2_18:1_16:0 | |||||
| 18:2_18:1_18:1_16:1 | |||||
| 713.494 | [CL(70:4)-2H] 2− | 18:2_18:1_18:1_16:0 | 713.495 | 0.7 | C79H146O17P2 |
| 18:1_18:1_18:1_16:1 | |||||
| 18:2_18:1_18:1_16:0 | |||||
| 723.480 | [CL(72:8)-2H] 2− | 18:2_18:2_18:2_18:1 | 723.479 | 1.7 | C81H142O17P2 |
| 20:4_18:2_18:1_16:1 | |||||
| 725.494 | [CL(72:6)-2H] 2− | 18:2_18:2_18:1_18:1 | 725.495 | 0.7 | C81H146O17P2 |
| 18:2_18:2_18:1_18:1 | |||||
| 727.509 | [CL(72:4)-2H] 2− | 18:1_18:1_18:1_18:1 | 727.51 | 1.5 | C81H150O17P2 |
| 737.494 | [CL(74:8)-2H] 2− | 20:4_18:2_18:1_18:1 | 737.495 | 0.7 | C83H146O17P2 |
| 738.502 | [CL(74:7)-2H] 2− | 20:3_18:2_18:1_18:1 | 738.502 | 0.4 | C83H148O17P2 |
| 20:4_18:1_18:1_18:1 | |||||
| 739.509 | [CL(74:6)-2H] 2− | 20:4_18:1_18:1_18:1 | 739.51 | 1.5 | C83H150O17P2 |
| 749.494 | [CL(76:10)-2H] 2− | 749.495 | 0.7 | C85H146O17P2 | |
| 762.501 | [CL(78:13)-2H] 2− | 762.502 | 1.3 | C87H148O17P2 |
CL = cardiolipin and MLCL = monolysocardiolipin, FA = fatty acid. [a] Bolded species were identified with tandem MS experiments (CID and/or CID/CID) in addition to high mass resolution/high mass accuracy, all other species were identified by high mass resolution/high mass accuracy. [b] Lipid (X:Y) notation indicates the total number of carbons (X) and double bonds (Y) in the fatty acid chains. [c] Mass error was calculated with the exact monoisotopic m/z of the doubly deprotonated form of the assigned molecular formula.