Table 4.
Phosphatidylcholine (PC) and sphingomyelin (SM) content in the F1 fraction of buttermilk as determined by UPLC/QToF-MS. The acyl chain compositions of the molecular species are shown.
| Positive Mode | Negative Mode | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| Time (min) | Exact Mass | Content (%) | CN/DB | Molecular Species | Time (min) | Exact Mass | Content (%) | CN/DB | Molecular Species |
| 3.75 | 496.3418 | 0.31 | 16:0 | Lyso-PC(16:0) | 3.35 | 512.30 | 2.10 | 14:0 | Lyso-PC(14:0) |
| 3.93 | 522.355 | 0.24 | 18:1 | Lyso-PC(18:1) | 4.08 | 540.33 | 26.29 | 16:0 | Lyso-PC(16:0) |
| 4.95 | 524.368 | 0.20 | 18:0 | Lyso-PC(18:0) | 4.28 | 566.35 | 6.72 | 18:1 | Lyso-PC(18:1) |
| 6.53 | 734.5698 | 13.09 | 32:0 | PC(16:0/16:0) | 6.71 | 802.56 | 9.03 | 34:2 | PC(16:0/18:2) |
| 6.55/8.03 | 756.5527 | 1.21 | 34:3 | PC(16:1/18:2) | 6.8 | 828.58 | 1.99 | 36:3 | PC(18:1/18:2) |
| 6.66 | 760.5854 | 29.61 | 34:1 | PC(16:0/18:1) | 7.45 | 812.58 | 6.23 | 36:4/36:3 | PC(O-18:2/18:2) |
| 6.82 | 786.6024 | 9.38 | 36:2 | PC(18:1/18:1) | /(P-18:1/18:2) | ||||
| 7.03 | 786.6024 | 4.71 | 36:3 | PC(18:0/18:2) | 8.27 | 778.56 | 14.12 | 32:2 | PC(16:0/16:0) |
| 7.56 | 678.5092 | 1.94 | 28:0 | PC(14:0/14:0), (12:0/16:0) | 8.39 | 804.57 | 23.29 | 34:1 | PC(16:0/18:1) |
| 7.75 | 730.5361 | 0.65 | 32:2 | PC(16:1/16:1) | 8.49 | 722.50 | 1.55 | 28:0 | PC(12:0/16:0), |
| 8.02/8.5 | 782.5671 | 1.72 | 36:4 | PC(18:2/18:2) | (14:0/14:0) | ||||
| 8.46 | 706.5352 | 11.72 | 30:0 | PC(14:0/16:0), (12:0/18:0) | 8.52 | 830.59 | 7.13 | 36:2 | PC(18:1/18:1) |
| 8.55 | 732.5501 | 4.65 | 32:1 | PC(16:0/16:1) | 9.43 | 814.60 | 1.56 | 36:3/36:2 | PC(O-18:1/18:2) |
| 8.6 | 762.6018 | 2.56 | 34:0 | PC(16:0/18:0) | /(P-18:0/18:2) | ||||
| 8.76 | 758.5701 | 8.82 | 34:2 | PC(16:0/18:2) | |||||
| 8.79 | 788.6178 | 4.95 | 36:1 | PC(18:0/18:1) | |||||
| 8.84 | 784.5816 | 4.24 | 36:3 | PC(18:1/18:2) | |||||
| 8.84 | 784.5816 | 4.24 | 36:3 | PC(18:1/18:2) | |||||
| 5.58 | 705.588 | 5.16 | 34:0 | SM(d18:0/16:0) | 6.37 | 747.56 | 34.67 | 34:1 | SM(d18:1/16:0) |
| 6.16 | 759.637 | 0.81 | 38:1 | SM(d18:1/20:0) | 7.47 | 749.58 | 29.64 | 34:0 | SM(d18:0/16:0) |
| 7.69 | 675.5415 | 14.90 | 32:1 | SM(d16:1/16:0) | 8.66 | 719.53 | 24.49 | 32:1 | SM(d16:1/16:0) |
| 8.19 | 677.5576 | 6.53 | 32:0 | SM(d18:0/14:0) | 9.32 | 721.55 | 11.19 | 32:0 | SM(d18:0/14:0) |
| 8.18 | 689.5562 | 7.92 | 33:1 | SM(d18:1/15:0) | |||||
| 8.58/8.77 | 703.5729 | 64.69 | 34:1 | SM(d18:1/16:0) | |||||
Species detected as [M + H]+ and [M + HCOOH–H]−. Lyso-PC, lyso-phosphatidylcholine; PC, phosphatidylcholine; CN, carbon number; DB, double bonds.