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Table 4 Tentative match of the serum metabolic features associated with breast cancer to the metabolites within mummichog enriched pathways

From: A metabolome-wide case-control study of african american breast cancer patients

Pathway

m/z

RT (s)

Tentative match

Fold change (log2)a

Scenario 1b

Scenario 2b

Scenario 3b

Scenario 4b

Scenario 5b

Scenario 6b

Scenario 7b

Prostaglandin formation from arachidonate

410.2634

12.13

12-hydroperoxyeicosatetraenoate glyceryl ester

3.18

2.94

3.47

3.03

3.37

2.94

3.34

424.2432

12.27

15-oxo-Prostaglandin E2 glyceryl ester

2.78

2.31c

3.35

2.43

3.29

2.33c

3.08

368.2161

10.16

20-dihydroxyleukotriene B4

2.33

2.12

2.57

2.13

2.61

2.27

2.36

368.2166

10.22

Prostaglandin G2

2.17

2.07

2.28

2.07

2.31

2.21

2.14

366.2008

10.24

11-dehydro-15-keto-TXB2

3.24

3.19

3.30

3.22

3.26

3.13

3.32

352.2236

10.93

Prostaglandin E2

2.19

1.99

2.42

1.94c

2.53

1.88c

2.39

424.2438

12.60

15-oxo-Prostaglandin E2 glyceryl ester

2.62

2.19

3.14

2.37

3.00

2.21

2.89

370.2706

11.99

Anandamide

4.18

3.66

4.79

3.88

4.56

3.78

4.43

366.2008

10.20

12-oxo-20-dihydroxy-leukotriene B4

3.24c

3.19c

3.30

3.22c

3.26

3.13c

3.32

 

368.2161

10.16

20-dihydroxyleukotriene B4

2.33c

2.12c

2.57c

2.13c

2.61

2.27c

2.36c

Leukotriene metabolism

364.1858

12.20

20-carboxy-leukotriene-B4

2.30

2.09

2.54

2.19

2.43

2.16

2.38

368.2161

10.16

20-dihydroxyleukotriene B4

2.33

2.12

2.57

2.13

2.61

2.27

2.36

496.2647

10.87

Leukotriene D4

2.06

1.92

2.23

2.09

1.99

2.06

2.06

382.1958

10.76

12-oxo-20-trihydroxy-leukotriene B4

3.27

2.89c

3.72

3.10

3.51

3.06c

3.40

366.2008

10.24

20-COOH-10,11-dihydro-LTB4

3.24

3.19

3.30

3.22

3.26

3.13c

3.32

370.1772

9.29

12,20-dioxo-leukotriene B4

3.20

2.94

3.51

2.91

3.59

2.89

3.40

352.2236

10.93

Prostaglandin E2

2.19

1.99c

2.42

1.94c

2.53

1.88c

2.39

366.2008

10.24

11-dihydro-LTB4

3.24

3.19

3.30

3.22

3.26

3.13

3.32

 

630.4014

13.93

Kurilensoside F

1.18c

0.97c

1.43

1.29c

1.05

1.21c

1.16

Glycerophospholipid metabolism

299.2820

14.07

Sphingosine

-1.14

-1.22

-1.05

-1.13

-1.16

-1.18

-1.12

687.4946

14.68

Diacylglycerol

-1.91

-2.09

-1.69

-1.87

-1.96

-1.81

-1.96

278.2252

16.23

(6Z,9Z,12Z)-Octadecatrienoic acid

-2.09

-2.26

-1.89

-2.17

-1.96

-2.18

-2.03

301.2975

11.47

Sphinganine

-1.30

-1.38

-1.20

-1.34

-1.23

-1.32c

-1.28

280.2400

15.23

Linoleic acid (all cis C18:2) n-6

-1.72

-1.92

-1.48

-1.75

-1.68

-1.74

-1.71

299.2822

11.17

3-dehydrosphinganine

-2.26

-2.39

-2.09

-2.29

-2.19

-2.25

-2.26

417.2354

11.59

1-(1-Alkenyl)-sn-glycero-3-phosphate

-1.67c

-1.40c

-2.00

-1.50

-1.91

-1.57c

-1.74

  1. a A fold change larger than 0 indicated higher intensity among breast cancer cases than controls
  2. b In scenarios 1 to 7, the cases used to compare healthy controls were: (1) all breast cancer cases, (2) cases without any treatments (chemotherapy, radiotherapy, and surgery) before serum collection, (3) cases with some treatments (chemotherapy, radiotherapy, and surgery) before serum collection, (4) cases with negative lymph nodes, (5) cases with positive lymph nodes, (6) cases with stage I cancer, and (7) cases with stage II/III breast cancer, respectively
  3. c The metabolite was not statistically significant in this pathway under the scenario