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Supplemental figure 1

Supplemental figure 2

Supplemental figure 3

180 chemicals in cases and controls in the discovery stage

Figure legend for supplemental documents

Supplemental material 1, chemical list

To examine the association between metabolic deregulation and pancreatic cancer, we conducted a two-stage case-control targeted metabolomics study using pre-diagnostic sera collected one year before diagnosis in the Women’s Health Initiative study. We used the liquid chromatography–mass spectrometry to quantitate 470 metabolites in 30 matched case/control pairs. From 180 detectable metabolites, we selected 14 metabolites to be validated in additional 18 matched case/control pairs. We used the paired t-test to compare the concentrations of each metabolite between cases and controls and used the log fold change (FC) to indicate the magnitude of difference. False discovery rate (FDR) adjusted q-value < 0.25 was indicated statistically significant. Logistic regression model and receiver operating characteristic (ROC) curve analysis were used to evaluate the clinical utility of the metabolites. Among 30 case/control pairs, 1-methyl-L-tryptophan (L-1MT) was significantly lower in the cases than in the controls (log2 FC= − 0.35; q-value = 0.03). The Area under the ROC curve was 0.83 in the discrimination analysis based on the levels of L-1MT, acadesine, and aspartic acid. None of the metabolites was validated in additional independent 18 case/control pairs. No significant association was found between the examined metabolites and undiagnosed pancreatic cancer.