Table 1. Top ten of serum metabolite ions that were lower intensity in LCA-diet group than in control-diet group.
The ion ranking, based on OPLS analysis, indicates the highest confidence and greatest contribution to separation between the control and the LCA. The rank is the same as labeling of ions in Figure 1B. RT; retention time.
| Rank | RT (min) | Found (m/z) | Putative Ion form | Elemental composition | Mass error (ppm) | Candidate |
|---|---|---|---|---|---|---|
| 1 | 4.99 | 540.3299 | [M-H+HCO2H]− | C25H52NO9P | 0.37 | Palmitoyl LPC (16:0-LPC) |
| 2 | 5.60 | 568.3615 | [M-H+HCO2H]− | C27H56NO9P | 0.18 | Stearoyl LPC (18:0-LPC) |
| 3 | 4.76 | 564.3297 | [M-H+HCO2H]− | C27H52NO9P | 0.71 | Linoleoyl LPC (18:2-LPC) |
| 4 | 5.14 | 566.3462 | [M-H+HCO2H]− | C27H54NO9P | 0.71 | Oleoyl LPC (18:1-LPC) |
| 5 | 0.35 | 197.8075 | Not determined | |||
| 6 | 4.75 | 588.3287 | [M-H+HCO2H]− | C29H52NO9P | 2.38 | Arachidonoyl LPC (20:4-LPC) |
| 7 | 0.35 | 195.8108 | Not determined | |||
| 8 | 4.58 | 538.3133 | [M-H+HCO2H]− | C25H50NO9P | 2.23 | Palmitoleoyl LPC (16:1-LPC) |
| 9 | 4.71 | 612.3286 | [M-H+HCO2H]− | C31H52NO9P | 2.45 | Docosahexanoyl LPC (22:6-LPC) |
| 10 | 6.83 | 649.5518 | Not determined |