Table 3 Metabolites undergoing significant changes in the gastric fluid of obese women 3 months after Roux en-Y gastric bypass.

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