Table 1. Identified metabolites that differed significantly with the diet.
| Category | Compound | Entity (M@RT) ╪ | Fragmentation pattern * | Collision Energy (V) | Formula | Abundance in CAF groups |
|---|---|---|---|---|---|---|
| Glycerophospholipids | Lyso-PC (16:1) | 493.3171@22.3 | 184.1, 104.1, 86.1 | 40 | C24H48NO7P | Increased |
| Lyso-PC (17:1) | 507.3325@23.5 | 184.1, 104.1, 86.1 | 40 | C25H50NO7P | ||
| Lyso-PC (18:0) | 523.2944@24.1 | 184.1, 104.1, 86.1 | 40 | C26H54NO7P | ||
| PAF | 637.3937@27.5 | 184.1, 86.1 | 20 | - | ||
| Lyso-PE (O-18:0) | 467.3378@25.4 | 447.3, 429.3 | 20 | C23H50NO6P | Decreased | |
| Lyso-PC (20:2) | 547.364@25.7 | 184.1, 104.1, 86.1 | 40 | C28H54NO7P | ||
| Lyso-PC (20:1) | 549.3788@27.2 | 184.1, 104.1, 86.1 | 40 | C28H56NO7P | ||
| Sphingolipids | Sphinganine | 301.2975@21.7 | 60.0, 284.3, 254.3 | 20 | C18H39NO2 | Increased |
| Sphinganine-1-phosphate | 381.2639@21.3 | 266.3, 284.3 | 20 | C18H40NO5P | ||
| Glycerolipids | MG (16:0) | 330.2759@30.1 | 57.1, 71.1, 85.1 | 20 | C19H38O4 | Increased |
| Sterol lipids | Glycocholic acid | 465.3089@17.2 | 76.0, 209.1, 319.2, 337.2, 412.3 | 40 | C26H43NO6 | Decreased |
| Hydroxylated bile acid | 406.2714@18.2 | 145.1, 107.1, 197.1, 81.1 | 40 | C24H38O5 | ||
| Hydroxylated bile acid | 390.2775@22.2 | 145.1, 109.1, 57.1, 199.1 | 40 | C24H38O4 | ||
| Free fatty acids: PUFA | Linolenic acid (18:3) | 278.2242@30.2 | 81.1, 95.1, 67.1, 121.1 | 20 | C18H30O2 | Decreased |
| DHA (22:6) | 328.2391@31.7 | 91.1, 79.1, 67.1, 55.1 | 40 | C22H32O2 | ||
| Free fatty acids: MUFA | DiHOME (18:1) | 314.2465@22.2 | 67.1, 81.1, 279.2 | 20 | C18H34O4 | Decreased |
| Fatty acid esters: Carnitines | Butyryl carnitine (C4) | 231.1471@1.99 | 85.0, 57.0 | 40 | C11H21NO4 | Increased |
| Myristoyl carnitine (C14) | 371.3033@22.3 | 85.0, 60.1 | 40 | C21H41NO4 | ||
| Prenol lipids | γ-CEHC | 264.1365@16.1 | 151.1, 123.1, 95.1, 67.1 | 40 | C15H20O4 | Decreased |
| α-CEHC | 278.1514@17.6 | 165.1, 137.1, 122.1, 67.1 | 40 | C16H22O4 | ||
| Retinoyl glucuronide | 476.2396@17.7 | 255.2, 301.2 | 20 | C26H36O8 | ||
| Polyketides: Flavonoids | Equol | 242.0953@11.4 | 123.0, 133.0, 107.0 | 10 | C15H14O3 | Decreased |
| Other benzenoids | Phenyl butyrate | 164.0834@17.6 | 77.0 | 40 | C10H12O2 | Decreased |
| Hippuric acid | 179.059@4.49 | 77.0, 51.0, 105.0 | 40 | C9H9NO3 |
╪ Each entity comprises a particular neutral mass (M) and retention time (RT), and both values are separated by the symbol “@”
* Distinctive fragments from LC-+ESI-MS/MS analysis at the most appropriate collision energy for each molecule
Abbreviations: CAF, cafeteria diet; Lyso-PC, lysophosphatidylcholine; PAF, platelet activating factor; Lyso-PE, lysophosphatidylethanolamine; MG, monoacylglycerol; PUFA, polyunsaturated fatty acid; DHA, docosahexaenoic acid; MUFA, monounsaturated fatty acid; DiHOME, dihydroxy-octadecenoic acid; γ-CEHC, gamma-tocopheronolactone; α-CEHC, alpha-tocopheronolactone.