Table 2.
Metabolites separated and identified in different patient groups (HC, C, HCd, and HCs) and the ratios of their levels in the groups HC vs. C, and HCd vs. HCs.
| m/z | HC/C | HCd/HCs | m/z | HC/C | HCd/HCs | ||
|---|---|---|---|---|---|---|---|
| Steroids, Incl.Bile Acids | Fatty Acid Derivatives | ||||||
| 419.281 | 1,25 DiOH cholesterol | 6.90 | 0.96 | 453.165 | Myristyl palmitate | 4.12 | 0.97 |
| 391.283 | 12-Ketodeoxycholic acid | 3.24 | 0.89 | 313.255 | Icosanoic (arahidic) acid C20:0 | 2.25 | 0.93 |
| 413.265 | 25-hydroxy vitamin D2 | 3.06 | 0.89 | 331.284 | Docosapentenoic acid (C22:5) | 2.07 | 0.95 |
| 409.328 | Ursocholic acid | 1.38 | 0.9 | 303.181 | Eicosapentenoic acid (C20:5) | 1.85 | 0.86 |
| 473.327 | 3-Sulfodeoxycholic acid | 1.36 | 0.91 | 425.130 | Lauryl palmitate | 1.83 | 1.09 |
| 271.264 | Estrone | 1.17 | 1.13 | 325.250 | Methyl-7-eicosenoic acid | 1.79 | 0.92 |
| 585.268 | Cholic acid glucuronide | 1.14 | 1.19 | 318.291 | N-methyl arachidonoyl amine | 1.76 | 1.07 |
| 289.159 | Testosterone/DHEA | 1.14 | 1.02 | 397.268 | Hexacosanoic acid (C26:0) | 1.59 | 1.02 |
| 421.338 | Dihomodeoxycholic acid | 0.60 | 0.92 | 427.390 | N-stearoyl arginine | 1.23 | 1.03 |
| 369.295 | Testosterone sulfate/DHEAS | 0.55 | 0.92 | 326.354 | Oleoyl Ethanolamide | 1.17 | 1.03 |
| 273.174 | Estradiol | 0.50 | 0.7 | 350.338 | Dihomo-gamma-linolenoyl (C18:3) Ethanolamine | 1.10 | 1.01 |
| Oxylipins | 299.126 | 2-hydroxy oleic acid (C18:1) | 1.06 | 1.04 | |||
| 353.271 | Prostaglandin E2 | 2.54 | 0.93 | 338.341 | Docosenamide (C22) | 1.02 | 1.01 |
| 267.266 | Tetranor 12-HETE | 1.15 | 0.96 | 324.325 | Linoleoyl ethanolamide | 1.01 | 0.95 |
| 406.328 | 15-HETE-GABA | 0.49 | 0.77 | 341.298 | Docosanoic acid (C22:0) | 0.94 | 0.96 |
| 383.207 | 12-Oxo-trihydroxy-leukotriene B4 | 0.22 | 1.06 | 348.319 | O-Arachidonoyl (C20:4, n-6) Ethanolamine | 0.86 | 1.06 |
| Acyl carnitines | 269.217 | Heptadecenoic acid (C17:1) | 0.65 | 1.03 | |||
| 414.289 | Heptadecanoyl carnitine | 3.92 | 2.47 | 501.375 | Palmitoleyl linolenate | 0.55 | 0.93 |
| 290.261 | Adipoyl carnitine | 2.81 | 1.09 | 301.142 | Eicosahexaenoic acid (C20:6) | 0.45 | 0.96 |
| 316.317 | Decanoylcarnitine | 1.90 | 1.1 | 529.407 | Linoleyl linoleate | 0.43 | 1.04 |
| 304.295 | Pimelyl carnitine | 1.78 | 1.03 | 285.282 | Stearic acid | 0.42 | 1.06 |
| 288.266 | Octanoyl carnitine | 1.66 | 1.08 | 295.182 | 2-Hydroxy linolenic acid (C16:3) | 0.40 | 0.97 |
| 230.24 | Butenyl carnitine | 1.28 | 1.01 | 279.160 | Linolenic acid (C18:3) | 0.33 | 0.98 |
| 332.327 | 3-hydroxydecanoyl carnitine | 1.21 | 0.99 | 163.052 | Hydroxy adipic acid | 0.26 | 1.18 |
| 312.326 | Decadienoyl carnitine | 1.18 | 1.01 | 249.189 | Hexadecatetraenoic acid C16:4 | 0.22 | 1.05 |
| 374.259 | Dodecanedioylcarnitine | 1.15 | 0.93 | 229.131 | Myristic acid (C14) | 0.21 | 1.03 |
| 388.355 | 3-Hydroxytetradecanoyl carnitine | 1.09 | 1.04 | 257.204 | Palmitic acid (C16:0) | 0.20 | 0.93 |
| 310.308 | Decatrienoyl carnitine | 0.98 | 0.93 | 339.366 | Dimethyl-2-eicosenoic acid (C22) | 0.16 | 1.09 |
| Aminoacid and choline derivatives | 245.077 | Hydroxy myristic acid (C14) | 0.14 | 1.02 | |||
| 258.265 | Glycerophosphocholine | 1.69 | 1.02 | 305.145 | Arahidonic acid (C20:4) | 2.83 | 1.51 |
| 166.073 | Phenyl alanine | 1.10 | 0.94 | 415.209 | Ascorbyl palmitate | 2.94 | 0.99 |
| 183.082 | Phosphoryl choline | 0.46 | 0.98 | Sphingolipids | |||
| 161.1 | Tryptamine | 0.43 | 0.59 | 274.265 | C16-Sphingosine | 1.64 | 1.07 |
| 149.024 | Methionine | 0.27 | 0.98 | 526.518 | Ceramide (d18:1/14:0 (2OH)) | 1.49 | 1.05 |
| 158.15 | Tiglylglycine | 0.12 | 1.08 | 554.547 | Ceramide (d18:1/16:0 (2OH)) | 1.10 | 1.04 |
| 171.14 | Glyceraldehyde 3-phosphate | 0.06 | 1.04 | 354.360 | C16 Sphinganine 1-P | 0.99 | 1.03 |
| 364.346 | a-linolenyl choline (C18:3) | 0.63 | 0.96 | 623.245 | Ceramide (d18:1/22:0) | 0.88 | 1 |
| 366.374 | a-linoleyl choline (C18:2) | 0.87 | 1.09 | 584.464 | Ceramide (d18:0/18:0 (2OH)) | 0.63 | 0.99 |
| Lyso Phospholipids | 582.576 | Ceramide (d18:1/18:0 (2OH)) | 0.61 | 1.08 | |||
| 558.291 | LysoPC (21:4) | 2.83 | 1.07 | 628.495 | Ceramide (t18:0/20:0 (2OH)) | 0.58 | 0.98 |
| 522.357 | LysoPC (18:1) | 2.11 | 1.06 | 540.441 | Ceramide (d18:0/16:0) | 0.58 | 1 |
| 534.286 | LysoPE (22:2) | 2.08 | 1.09 | 672.525 | GlycoCeramide (d18:1/14:0) | 0.58 | 0.93 |
| 437.191 | LysoPA (18:1/0:0) | 1.89 | 0.99 | 703.574 | Sphingomyelin 18:2/16:0 | 0.50 | 1 |
| 524.37 | LysoPC (18:0) | 1.68 | 1.02 | 496.419 | Ceramide (d15:1/16:0) | 0.49 | 0.97 |
| 482.338 | LysoPE (18:0) | 1.54 | 1.25 | 596.512 | Ceramide (d20:0/18:0) | 0.48 | 1.28 |
| 483.121 | LysoPA (22:6/0:0) | 1.51 | 1.23 | 508.459 | Ceramide (d18:2/14:0) & isom. | 0.47 | 1.05 |
| 510.372 | LysoPE (20:0) | 1.49 | 1.21 | 568.469 | Ceramide (d18:0/18:0) | 0.45 | 1.23 |
| 480.332 | LysoPE (18:1) | 1.42 | 1.18 | 524.448 | Ceramide (d14:1/18:1 (2OH)) isomizom | 0.39 | 1.31 |
| 520.342 | LysoPC (18:2) | 1.41 | 1.16 | 612.503 | Ceramide (d18:0/20:0 (2OH)) | 0.36 | 1.08 |
| 495.297 | LysoPA (22:0/0:0) | 1.38 | 0.97 | Monoacyl glycerols | |||
| 546.354 | LysoPC (20:3) | 1.35 | 1.06 | 379.263 | MG (20:4/0:0/0:0) | 1.45 | 0.83 |
| 491.371 | LysoPA (22:2/0:0) | 1.25 | 1.14 | 359.313 | MG (18:0/0:0/0:0) | 1.15 | 0.98 |
| 494.329 | LysoPC (16:1) | 1.22 | 1.27 | 381.304 | MG (20:3/0:0/0:0) | 1.03 | 1.02 |
| 544.341 | LysoPC (20:4) | 1.22 | 1.01 | 357.093 | MG (18:1/0:0/0:0) | 0.78 | 1.05 |
| 568.342 | LysoPC (22:6) | 1.11 | 1.03 | 403.234 | MG (22:6/0:0/0:0) | 0.22 | 0.96 |
| 502.299 | LysoPE (20:4) | 1.09 | 0.9 | 355.358 | MG (0:0/18:2/0:0) | 0.15 | 1.08 |
| 454.294 | LysoPE (16:0) | 1.08 | 0.97 | Diacyl glycerols | |||
| 518.325 | LysoPC (18:3) | 0.98 | 0.98 | 643.283 | DG (18:0/20:5/0:0) | 1.96 | 0.59 |
| 496.342 | LysoPC (16:0) | 0.9 | 0.91 | 591.15 | DG (16:0/18:3/0:0) | 1.6 | 1.14 |
| 542.323 | LysoPC (20:5) | 0.88 | 1.04 | 609.161 | DG (18:1/17:0/0:0) | 1.6 | 1.17 |
| 508.359 | LysoPE (20:1) | 0.74 | 0.93 | 631.144 | DG (18:4/19:0/0:0) | 1.23 | 1.09 |
| 545.402 | LysoPI (14:0/0:0) | 0.63 | 1.02 | 561.403 | DG (14:1/18:3/0:0) | 1.07 | 0.93 |
| 452.392 | LysoPE (16:1) | 0.51 | 0.92 | 607.251 | DG (18:2/17:0/0:0) | 1.01 | 1.03 |
| 478.32 | LysoPE (18:2) | 0.44 | 0.52 | 617.259 | DG (18:2/18:2/0:0) | 0.96 | 1.16 |
| 480.424 | Lyso PC (O-16:1/0:0) | 0.43 | 1.42 | 663.457 | DG (20:4/20:5/0:0) | 0.91 | 0.99 |
| Glycerophospholipids | 599.247 | DG (18:4/17:2/0:0) | 0.85 | 1.07 | |||
| 780.553 | PC (36:5) [M + H] | 2.05 | 1.29 | 601.264 | DG (18:3/17:2/0:0) | 0.83 | 1.09 |
| 758.568 | PC (34:2) [M + H] | 1.09 | 1.01 | 615.244 | DG (18:2/18:3/0:0) | 0.77 | 1.11 |
| 816.59 | PC (38:2) [M + H] | 0.99 | 1.08 | 603.22 | DG (18:2/17:2/0:0) | 0.66 | 1.2 |
| 744.585 | PE (36:2) | 0.96 | 1.17 | 589.428 | DG (16:1/18:3/0:0) | 0.62 | 1.01 |
| 784.583 | PC (36:3) [M + H] | 0.95 | 1.06 | 513.415 | DG (12:0/16:0/0:0) | 0.56 | 1.04 |
| 760.582 | PC (34:1) [M + H] | 0.92 | 0.98 | 635.143 | DG (18:2/19:0/0:0) | 0.48 | 0.94 |
| 734.569 | PC (32:0) [M + H] | 0.90 | 1.1 | 633.147 | DG (18:3/19:0/0:0) | 0.46 | 0.9 |
| 810.596 | PC (36:1) [M + Na] | 0.83 | 1.41 | 579.294 | DG (16:1/17:1/0:0) | 0.37 | 0.94 |
| 808.582 | PC (36:2) [M + Na] | 0.80 | 1.24 | 665.582 | DG (20:3/20:5/0:0) | 0.07 | 1.36 |
| 633.254 | PA (O-16:0/16:1) | 0.79 | 1.08 | Phosphoglycerols | |||
| 786.602 | PC (36:2) [M + H] | 0.78 | 1.02 | 509.322 | PG (18:2/0:0) | 1.32 | 0.78 |
| 806.568 | PC (36:3) [M + Na] | 0.76 | 0.93 | 483.347 | PG (16:1/0:0) | 0.88 | 0.81 |
| 782.564 | PC (36:4)[M + H] | 0.69 | 1.14 | 485.376 | PG (16:0/0:0) | 0.48 | 1.2 |
| 804.55 | PC (36:4) [M + Na] | 0.24 | 1 | 709.164 | PG (O-16:0/16:0) | 0.26 | 0.85 |
| 704.21 | PC (30:1) | 0.24 | 0.83 | 707.167 | PG (O-16:0/16:1) | 0.26 | 0.84 |
| 702.213 | PC (30:2) | 0.23 | 0.83 | ||||