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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.