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Table 1 Identified and significantly different masses between cancer and non-cancer epithelium after univariate linear mixed models testing. Log2 fold change (Log2FC) is reported comparing cancer to non-cancer epithelium. ‘ID in OPLS-DA’ can be used to find the analyte on the loadings plot in Fig. 2. The reported m/z values are from MALDI-TOF measurements. LPC = lysophospatidylcholine, PE = phosphatidylethanolamine, and PS = phosphatidylserine

From: Spatial differentiation of metabolism in prostate cancer tissue by MALDI-TOF MSI

m/z MALDI-TOF ID ID in OPLS-DA Log2FC p value
104.17 Choline Choline 0.785 9.6 × 10−4
132. 03 Aspartate Aspartate − 0.579 2.5 × 10−6
146.17 Acetylcholine ACho 0.537 5.1 × 10−4
162.16 Carnitine Carnitine 0.747 2.3 × 10−9
167.03 Urate Urate 0.290 2.2 × 10−3
174.83* Zinc (ZnCl3) Zinc − 1.054 1.9 × 10−4
175.02** Ascorbate/Glucurone Ascorbate − 0.281 0.010
191.02 Citrate Citrate − 0.892 2.3 × 10−7
204.17 Acetylcarnitine Acetylcarnitine 0.789 1.7 × 10−4
248.19 Hydroxybutyrylcarnitine HBCt 0.888 1.0 × 10−3
426.01 Adenosine diphosphate ADP 0.387 0.025
518.37 LPC (16:0) LPC 82 − 1.384 7.8 × 10−6
534.34 LPC (16:0) LPC 86 − 1.168 1.6 × 10−5
544.39 LPC (18:1) LPC 90 − 0.744 1.0 × 10−4
792.53 PE (20:1_20:4) PE 112 0.590 0.041
838.51 PS (40:4) PS 124 0.326 8.8 × 10−3
  1. *For ZnCl3-, the isotopes with m/z 174.83 were used to represent zinc due to an overlapping contaminant [17]
  2. **Ascorbate and glucurone have identical masses and MS/MS suggests a mix of the two metabolites, which both belongs to the same Ascorbate and aldarate metabolic pathway