Table 3.
Metabolites undergoing significant changes in the gastric fluid of obese women 3 months after Roux en-Y gastric bypass.
| Mass | Retention Time (min) | Metabolite | Fold Change | Biological Identities | Analytical Technique |
|---|---|---|---|---|---|
| 408.2875 | 11.67 | Trihidroxycholanoic acid/Allocholic acid/Cholic acid | 51.3 | Primary bile acid synthesis | LC-MS neg |
| 374.2820 | 12.20 | Hydroxycholenoate | 7.87 | LC-MS pos | |
| 515.2916 | 11.48 | Taurohyocholate/taurocholic acid/taurallocholic acid | 1.82 | LC-MS pos | |
| 11.71 | 1.61 | LC-MS neg | |||
| 532.3069 | 12.34 | 5b-Cyprinol sulphate | 3.89 | Bile alcohol | LC-MS neg |
| 465.3090 | 11.30 | Glycocholic acid | 2.73 | Primary bile acid | LC-MS pos |
| 11.31 | 1.24 | LC-MS neg | |||
| 449.3141 | 11.81 | Chenodeoxycholic glycine conjugate/Glycoursodeoxycholic acid | 3.07 | Primary or secondary bile acid | LC-MS pos |
| 433.3192 | 12.25 | Lithocholic acid glycine conjugate | 6.17 | Secondary bile acid | LC-MS pos |
| 12.26 | 1.94 | LC-MS neg | |||
| 483.3018 | 13.64 | Lithocholytaurine | 2.45 | LC-MS neg | |
| 499.2967 | 12.41 | Tauroursodeoxycholic acid | 2.80 | LC-MS neg | |
| 390.2770 | 14.29 | Hydroxyoxocholanoate (ketholithocolic acid) | 0.54 | LC-MS pos | |
| 529.2709 | 11.16 | Glycochenodeoxycholic acid 3-sulfate | 2.63 | Sulphate bile acid | LC-MS neg |
| 563.2586 | 12.67 | Taurolithocholic acid 3-sulfate | 1.46 | LC-MS neg | |
| 304.2402 | 13.72 | Arachidonic acid | 1.67 2.04 |
Inflammatory mediators | LC-MS pos LC-MS neg |
| 481.3168 | 12.92 | LysoPC(15:0) | 7.73 | LC-MS pos | |
| 493.3168 | 12.74 | LysoPC(16:1) | 8.04 | LC-MS pos | |
| 495.3324 | 13.23 | LysoPC(16:0) | 2.24 | LC-MS pos | |
| 509.3481 | 13.55 | LysoPC(17:0) | 7.16 | LC-MS pos | |
| 517.3168 | 12.55 | LysoPC(18:3) | 15.4 | LC-MS pos | |
| 519.3324 521.3481 |
12.93 13.42 |
LysoPC(18:2) LysoPC(18:1) |
7.63 3.88 |
LC-MS pos | |
| LC-MS pos | |||||
| 523.3637 | 13.91 | LysoPC(18:0) | 3.12 | LC-MS pos | |
| 541.3168 | 12.51 | LysoPC(20:5) | 25.8 | LC-MS pos | |
| 547.3637 | 13.00 | LysoPC(20:2) | 20.4 | LC-MS pos | |
| 567.3324 | 12.83 | LysoPC(22:6) | 12.6 | LC-MS pos | |
| 392.2327 | 16.12 | Phosphatidic acid (16:0) | 2.12 | Turnover membrane and Phosphatidic acid cycle | LC-MS pos |
| 17.54 | 1.68 | LC-MS neg | |||
| 416.2327 | 16.69 | Phosphatidic acid (18:2) | 10.1 | LC-MS neg | |
| 180.0633 | 18.89 | myo-inositol | 1.88 | GC-MS | |
| 572.2961 | 16.37 | 1-Palmitoylglycerophosphoinositol | 0.81 | LC-MS neg | |
| 600.3274 | 18.58 | Stearoylglycerophosphoinositol | 0.81 | LC-MS neg | |
| 620.2961 | 8.59 | Arachidonoylglycerophosphoinositol | 0.02 | LC-MS neg | |
| 686.4910 | 8.91 | DG(20:5n3/0:0/22:6n3) | 0.42 | LC-MS neg | |
| 714.5223 | 9.19 | DG(20:5n6/0:0/22:6n3) | 0.47 | LC-MS neg | |
| 327.3137 | 12.22 | Stearoylethanolamide | 2.85 | Endocannabinoid | LC-MS pos |
| 194.0426 | 16.89 | Glucuronic acid | 0.02 | Toxic metabolite conjugation | GC-MS |
| 132.0575 | 6.82 | Atropaldehyde | 5.50 | Drug metabolite (found in the urine) | LC-MS neg |
| 433.2100 | 8.68 | Dextrorphan O-glucuronide | 2.76 | LC-MS neg | |
| 551.2519 | 12.14 | Endoxifen O-glucuronide | 1.16 | LC-MS neg | |
| 440.2344 | 13.70 | Tirofiban | 1.13 | LC-MS neg | |
| 592.3260 | 9.53 | Mesobilirubinogen | 5.61 | Bilirubin catabolism (found in the urine and faeces) | LC-MS pos |
| 594.3417 | 9.57 | L-Stercobilin | 4.69 | LC-MS pos | |
| 466.3116 | 11.29 | Cholesterol sulphate | 3.73 | Steroid biosynthesis (found in the urine) | LC-MS pos |
| 11.30 | 1.24 | LC-MS neg | |||
| 318.2558 | 14.38 | Pregnanolone | 14.6 | LC-MS pos | |
| 320.2715 | 14.78 | Pregnanediol | 47.9 | LC-MS pos | |
| 464.2410 | 14.30 | Dehydroepiandrosterone 3-glucuronide | 0.27 | LC-MS pos | |
| 164.0684 | 15.21 | Fucose | 0.15 | Microbial metabolites: fermentation of non-digestible polysaccharides and proteins (SCFAs) | GC-MS |
| 150.0528 | 14.66 | Ribose/Lyxose (pentose monosaccharide) | 0.13 | GC-MS | |
| 152.0684 | 15.14 | Arabitol/Ribitol/Xylitol (sugar alcohol) | 0.17 | GC-MS | |
| 270.2558 | 16.97 | C16 methyl palmitate | 3.71 | GC-MS | |
| 298.2871 | 18.88 | C18 methyl stearate | 1.88 | GC-MS | |
| 161.0840 | 13.14 | Tryptophanol | 4.79 | LC-MS pos | |
| 214.1317 | 1.81 | Dethiobiotin | 8.53 | Microbial metabolites: vitamin synthesis | LC-MS pos |
| 278.1266 | 5.35 | N1-(alpha-D-ribosyl)-5,6-Dimethyl-benzimidazole | 3.02 | LC-MS pos | |
| 246.1215 | 1.97 | L-beta-Aspartyl-l-leucine | 1.26 | Microbial metabolites: cholesterol synthesis | LC-MS neg |
| 414.3497 | 11.79 | Hydroxymethyl-cholestadienol | 18.6 | LC-MS pos | |
| 384.3392 | 16.57 | Cholesterol synthesis intermediates | 10.3 | LC -MS pos | |
| Warburg effect | |||||
| 175.0956 | 17.28 | Citrulline | 2.14 | Nitric oxide synthesis | GC-MS |
| 180.0633 | 16.93 | Mannose/Glucose/Allose (aldohexose) | 0.95 | Glycolysis | GC-MS |
| 157.0738 | 11.71 | Methylcrotonylglycine | 3.54 | Mitochondrial damage | LC-MS pos |
| 385.2828 | 11.07 | Hydroxytetradecenoyl-L-carnitine | 10.9 | Acylcarnitines | LC-MS pos |
| 421.3192 | 11.45 | Linolenylcarnitine | 2.94 | LC-MS pos | |
| 423.3348 | 11.92 | Acylcarnitine C18:2 | 9.08 | LC-MS pos | |
| 425.3505 | 12.18 | Acylcarnitine C18:1 | 9.24 | LC-MS pos | |
| 275.1368 | 8.24 | Glutaryl-L-carnitine | 1.13 | LC-MS neg | |
| 285.1940 | 9.04 | Octenoyl-L-carnitine | 4.90 | LC-MS pos | |
| 287.2096 | 9.71 | Octanoyl-L-carnitine | 3.95 | LC-MS pos | |
| 313.2253 | 10.22 | 9-Decenoylcarnitine | 6.83 | LC-MS pos | |
| 315.2409 | 10.60 | Decanoyl-L-carnitine | 7.86 | LC-MS pos | |
| 341.2566 | 10.90 | Dodecenoyl-L-carnitine | 5.07 | LC-MS pos | |
| 471.3348 | 12.76 | Cervonylcarnitine | 8.04 | LC-MS pos | |
| 473.3505 | 13.23 | Docosapentaenoylcarnitine/Clupadonylcarnitine | 2.22 | LC-MS pos | |
| 256.2402 | 18.14 | Palmitic acid | 28.0 | Fatty acid synthesis and uptake | GC-MS |
| 282.2558 | 19.71 | Oleic acid | 11.4 | GC-MS | |
| 280.2402 | 19.67 | Linoleic acid | 11.3 | GC-MS | |
| 13.76 | 1.54 | LC-MS neg | |||
| 97.9768 | 9.49 | Phosphoric acid | 36.3 | Membrane phospholipid synthesis | GC-MS |
| 188.1160 | 4.76 | N-acetyl-lysine | 3.08 | Active gene transcription process (hystone acetylation) | LC-MS pos |
Metabolites were identified by GC-MS and LC-MS (VIP score > 1, and p-value < 0.05). LysoPC, lysophosphatidylcholine; DG, diacylglycerol.