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Table 3 List of 13 masses detected among the top 50 masses inclusive to all three discovery projects

From: Reduced levels of hydroxylated, polyunsaturated ultra long-chain fatty acids in the serum of colorectal cancer patients: implications for early screening and detection

GCI

Rank order

Detected mass

Molecular formula

Part per million

Analysis mode

Pvalue

Ratio (CRC/normal)

6

446.3406

C28H46O4

2.22

NAPCI

6.4E-13

0.31

13

448.3563

C28H48O4

2.32

NAPCI

2.5E-12

0.41

8

466.3661

C28H50O5

0.59

NAPCI

9.4E-13

0.25

7

468.3840

C28H52O5

5.39

NAPCI

9.0E-13

0.27

21

492.3829

C30H52O5

2.89

NAPCI

8.5E-11

0.33

24

494.3977

C30H54O5

1.16

NAPCI

1.9E-10

0.35

29

518.3976

C32H54O5

0.92

NAPCI

1.6E-09

0.37

12

538.4259

C32H58O6

4.76

NAPCI

2.5E-12

0.30

44

574.4607

C36H62O5

1.7

NAPCI

1.6E-08

0.40

26

576.4771

C36H64O5

2.99

NAPCI

3.0E-10

0.37

32

578.4931

C36H66O5

3.59

NAPCI

3.2E-09

0.34

11

592.4711

C36H64O6

1.37

NAPCI

2.2E-12

0.27

15

594.4851

C36H66O6

1.41

NAPCI

6.3E-12

0.26

Seracare

45

446.3413

C28H46O4

3.79

NAPCI

1.8E-06

0.36

9

448.3570

C28H48O4

3.88

NAPCI

1.6E-08

0.36

3

466.3664

C28H50O5

1.23

NAPCI

8.5E-10

0.34

6

468.3847

C28H52O5

6.89

NAPCI

4.9E-09

0.36

17

492.3835

C30H52O5

4.11

NAPCI

4.6E-08

0.42

34

494.3971

C30H54O5

0.05

NAPCI

6.6E-07

0.41

11

518.3968

C32H54O5

0.63

NAPCI

2.2E-08

0.33

18

538.4263

C32H58O6

5.5

NAPCI

7.8E-08

0.38

32

574.4595

C36H62O5

0.39

NAPCI

6.1E-07

0.32

42

576.4768

C36H64O5

2.47

NAPCI

1.0E-06

0.37

49

578.4933

C36H66O5

3.93

NAPCI

3.2E-06

0.42

30

592.4721

C36H64O6

3.06

NAPCI

5.6E-07

0.27

50

594.4851

C36H66O6

1.41

NAPCI

3.7E-06

0.32

Osaka

6

446.3400

C28H46O4

0.87

NESI

1.8E-10

0.44

13

448.3556

C28H48O4

0.76

NESI

2.2E-09

0.54

1

466.3663

C28H50O5

1.02

NESI

2.9E-12

0.50

5

468.3815

C28H52O5

0.05

NESI

1.8E-10

0.49

4

492.3814

C30H52O5

0.15

NESI

7.1E-11

0.57

23

494.3969

C30H54O5

0.45

NESI

2.0E-07

0.62

39

518.3975

C32H54O5

0.72

NAPCI

5.8E-06

0.52

19

538.4237

C32H58O6

0.67

NESI

4.7E-08

0.58

16

574.4600

C36H62O5

0.48

NESI

3.8E-09

0.42

7

576.4756

C36H64O5

0.39

NESI

3.0E-10

0.42

14

578.4910

C36H66O5

0.04

NESI

2.6E-09

0.50

15

592.4703

C36H64O6

0.02

NESI

3.3E-09

0.41

3

594.4859

C36H66O6

0.07

NESI

6.8E-11

0.40

  1. Indicated are the rank order based on P-value, detected accurate mass, the computationally predicted molecular formula, the mass difference between the detected mass and mass of the predicted molecular formula in part per million, the mode of analysis (electrospray ionization, ESI; atmospheric pressure chemical ionization, APCI), the P-value (based on an unpaired student's t-test) between the average peak intensity of control subjects versus colorectal cancer (CRC) patients, and the average peak intensity ratio between CRC patients and controls.