Table 3 List of 46 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 |
|---|---|---|
Serine | 0.65 | 1.81 |
Methionine | 0.63 | 1.54 |
Phosphatidylcholine acly-alkyl C40:3 | 0.90 | 1.43 |
Phosphatidylcholine acly-alkyl C38:1 | 0.88 | 1.27 |
Phosphatidylcholine acly-alkyl C44:3 | 0.80 | 1.08 |
Propenoylcarnitine | 0.68 | 1.04 |
Phosphatidylcholine acly-alkyl C40:5 | 0.74 | 0.84 |
Phosphatidylcholine diacyl C24:0 | 0.76 | 0.83 |
lysoPhosphatidylcholine acyl C28:0 | 0.71 | 0.71 |
Hydroxyhexadecenoyl-L-carnitine | 0.59 | 0.66 |
Hexadecanoylcarnitine | 0.63 | 0.63 |
Octadecadienylcarnitine | 0.67 | 0.60 |
Phosphatidylcholine acly-alkyl C40:4 | 0.83 | 0.57 |
Phosphatidylcholine diacyl C40:3 | 0.80 | 0.50 |
Phosphatidylcholine diacyl C40:2 | 0.83 | 0.47 |
Phosphatidylcholine acly-alkyl C38:3 | 0.82 | 0.47 |
lysoPhosphatidylcholine acyl C26:1 | 0.75 | 0.36 |
Phosphatidylcholine diacyl C42:5 | 0.63 | 0.33 |
Phosphatidylcholine acly-alkyl C42:1 | 0.78 | 0.30 |
Phosphatidylcholine diacyl C26:0 | 0.59 | 0.26 |
Phosphatidylcholine diacyl C42:4 | 0.84 | 0.21 |
Phosphatidylcholine acly-alkyl C38:6 | 0.64 | 0.15 |
Phosphatidylcholine acly-alkyl C38:2 | 0.79 | 0.15 |
Ethylene glycol, di-TMS | 4.85 | 0.08 |
lysoPhosphatidylcholine acyl C6:0 | 0.64 | 0.06 |
Propionylcarnitine | 0.61 | −0.01 |
lysoPhosphatidylcholine acyl C26:0 | 0.68 | −0.03 |
Phosphatidylcholine acly-alkyl C40:2 | 0.71 | −0.05 |
Octadecenoylcarnitine | 0.74 | −0.06 |
Phosphatidylcholine acly-alkyl C42:2 | 0.66 | −0.12 |
Phosphatidylcholine diacyl C40:1 | 0.69 | −0.30 |
lysoPhosphatidylcholine acyl C24:0 | 0.73 | −0.34 |
Phosphatidylcholine acly-alkyl C40:1 | 0.61 | −0.46 |
Phosphatidylcholine acly-alkyl C42:5 | 0.60 | −0.49 |
Phosphatidylcholine acly-alkyl C36:5 | 0.64 | −0.56 |
Hydroxypropionylcarnitine | 0.66 | −0.62 |
Phosphatidylcholine acly-alkyl C42:4 | 0.67 | −0.63 |
Valine | 0.61 | −0.64 |
Sphingomyeline C22:3 | 0.60 | −0.80 |
Phosphatidylcholine diacyl C42:2 | 0.72 | −0.89 |
Phosphatidylcholine acly-alkyl C36:1 | 0.67 | −0.92 |
Glutamine | 0.75 | −0.96 |
Phosphatidylcholine acly-alkyl C42:3 | 0.63 | −0.97 |
Tryptophan | 0.63 | −1.00 |
Phosphatidylcholine acyl-alkyl C 30:2 | 0.71 | −1.12 |
Hexadecenoyl-L-carnitine | 0.68 | −1.71 |