Table 5 List of 18 metabolites in combined analysis of targeted MS/MS and GC-MS spectra of colorectal cancer vs. healthy controls. VIP and multivariate correlation coefficients are provided (PC: Phosphatidylcholine, Lyso-PC: lysophosphatidylcholine, ae: acyl-alkyl, aa: diacyl, SM: sphingomyelin)
From: A quantitative multimodal metabolomic assay for colorectal cancer
Metabolite | VIP | Centered and scaled coefficient |
|---|---|---|
C14:2 (Tetradecadienyl carnitine) | 1.14 | 0.09 |
C12:1 (Dodecenoylcarnitine) | 1.13 | −0.18 |
Unidentified_compound (RIÂ =Â 1448.35) | 1.11 | 0.40 |
Unidentified_compound (RIÂ =Â 2495.71) | 1.11 | 0.20 |
Proline | 1.11 | −0.22 |
C10:1 (Decenoylcarnitine) | 1.10 | −0.06 |
Unidentified_compound (RIÂ =Â 2378.86) | 1.10 | 0.39 |
Cystine (4TMS) | 1.10 | −0.30 |
C16:2 (Hexadecadienylcarnitine) | 1.09 | 0.07 |
C14:1-OH (Hydroxytetradecenoylcarnitine) | 1.08 | −0.24 |
Glyceric acid (3TMS) | 1.05 | 0.35 |
Unidentified_compound (RIÂ =Â 1416.54) | 0.98 | 0.39 |
Glutamic acid (3TMS) | 0.96 | −0.19 |
Unidentified_compound (RIÂ =Â 2933.74) | 0.81 | 0.26 |
Unidentified_compound (RI = 1977.64) | 0.79 | −0.33 |
lysoPC a C17:0 | 0.74 | 0.31 |
Heptadecanoic acid (1TMS) | 0.70 | 0.20 |
Unidentified_compound (RI = 1101.40) | 0.67 | −0.40 |