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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 (RI = 1448.35) 1.11 0.40
Unidentified_compound (RI = 2495.71) 1.11 0.20
Proline 1.11 −0.22
C10:1 (Decenoylcarnitine) 1.10 −0.06
Unidentified_compound (RI = 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 (RI = 1416.54) 0.98 0.39
Glutamic acid (3TMS) 0.96 −0.19
Unidentified_compound (RI = 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