Bucket Miapaca-2 Fold Panc-1 Fold AsPC-1 Fold MP Fold MA Fold PA Fold
Metabolites (ppm) p-Value change p-Value change p-Value change p-Value change p-Value change p-Value change
Phosphatidylglycerol 3.731 1.80E-12 >10 4.64E-15 >10 1.63E-16 >10   ***   ***   ***
phosphatidylcholine 3.358 2.70E-03 <-10 8.23E-02 -6.22 5.83E-07 <-10   *** 1.31E-01 1.55   ***
Phosphatidylethanolamine 3.265 2.70E-03 >10 2.70E-03 >10 2.06E-12 >10 8.55E-04 -1.14 2.35E-01 -1.05 8.19E-02 1.09
Fatty Acid (-CH=CH-) 5.307   *** 3.01E-06 1.73 7.55E-10 1.72 2.50E-02 1.57 1.31E-01 1.55 7.12E-01 -1.02
  5.276 7.65E-09 1.59 3.89E-05 1.30 1.68E-08 1.43 2.11E-04 -1.22 4.27E-04 -1.12 2.44E-02 1.09
α 2.376 2.13E-08 <-10 2.18E-08 <-10 1.94E-03 <-10 8.55E-04 -1.14   ***   ***
  2.318 9.16E-07 <-10 1.12E-06 <-10 4.17E-08 -5.57 1.84E-02 1.32 2.28E-01 1.12 6.41E-02 -1.18
  2.282 2.81E-07 <-10 9.69E-07 -2.75 1.11E-06 -2.62 2.01E-02 1.27 2.37E-01 1.10 7.72E-02 -1.16
  2.23 1.52E-02 1.42 3.17E-01 1.03 1.80E-01 1.23 1.17E-05 -1.37 4.68E-04 -1.16 6.98E-04 1.18
  2.198 1.99E-01 1.34 1.99E-01 -1.04 4.45E-01 1.12 7.34E-08 -1.39 1.60E-01 -1.18 6.65E-02 1.18
γ 1.975 1.37E-12 <-10 2.42E-12 -3.56   ***   *** 1.15E-06 1.25   ***
  1.938 9.47E-09 1.60 1.99E-06 1.33 5.50E-02 1.41 6.49E-03 -1.19 4.02E-02 -1.14 8.29E-01 1.04
β 1.801 8.26E-04 3.73 7.21E-08 2.67 7.85E-04 3.27 7.10E-02 -1.65   ***   ***
  1.569 2.27E-10 <-10 5.30E-03 -1.36 3.35E-02 -1.86 4.19E-01 1.08 1.28E-03 -1.43 9.53E-03 -1.55
 mix 1.186 5.57E-02 -1.04 7.19E-07 -1.11 3.35E-02 -1.07 3.74E-02 -1.06 5.17E-01 -1.03 1.95E-01 1.03
  1.121   *** 1.20E-04 -1.63 4.90E-11 -2.26   ***   *** 6.68E-04 -1.13
Cholesterol (C19) **0.94 6.23E-07 2.29 3.53E-07 2.58 7.64E-08 2.52 1.32E-01 1.10 2.09E-02 1.14 4.28E-01 1.03
(C18) **0.61 2.15E-07 2.86 2.39E-07 3.01 2.18E-08 2.95 5.40E-01 1.04 1.17E-01 1.09 3.74E-01 1.05
Aromatic H 7.008 2.46E-06 4.51 2.70E-03 5.35   *** 5.47E-02 1.20 8.03E-01 -1.03 1.31E-01 -1.24
  6.967 1.99E-06 4.62 2.70E-03 5.51     5.47E-02 1.20 7.96E-01 -1.03 3.20E-02 -1.24
  6.936 1.88E-06 4.87 2.92E-08 5.83   *** 8.28E-03 1.34   ***   ***
FA, cholesterol, phospholipid (CH3) *0.811 2.14E-05 <-10 3.51E-07 -1.22 2.38E-06 -1.16 3.60E-01 1.03 6.15E-02 1.14 9.48E-03 1.04
  *0.842 2.52E-05 <-10 2.20E-07 -1.17 3.35E-02 -1.10 1.50E-01 -1.47 5.89E-01 -1.07 1.31E-01 1.05
  *0.74 2.04E-05 <-10 1.99E-01 -1.63 1.27E-04 -3.47 1.93E-01 1.14 8.24E-01 1.02   ***
  *0.646 2.70E-03 -7.94 1.45E-09 <-10   ***   ***   ***   ***
UK(S) 7.312 6.23E-07 -4.09 2.11E-06 -3.03 3.35E-02 -3.44   ***   ***   ***
(S) 7.066 2.25E-05 -2.13 2.52E-04 -1.71 3.35E-02 -2.07 7.92E-02 1.25   ***   ***
(m) 3.96 2.70E-03 -7.86 5.86E-09 <-10 3.35E-02 -7.22   ***   ***   ***
(m) 3.833 3.20E-11 8.14 1.96E-11 8.73 1.51E-15 >10   ***   ***   ***
(S) 3.576 2.70E-03 <-10 1.34E-11 <-10 1.44E-11 <-10   ***   ***   ***
(S) 3.421 1.52E-08 -6.98 2.88E-08 -5.49 1.90E-08 -5.99   ***   ***   ***
(m) 1.506   ***   ***   *** 7.98E-04 -1.13 4.80E-04 -1.15   ***
(m) 1.447 2.32E-10 2.29 3.25E-11 2.33 5.35E-12 2.02   ***   ***   ***
(m) 1.439   ***   *** 4.57E-11 2.29   ***   ***   ***
(m) 1.361 1.48E-07 -2.31 1.81E-05 -1.64 4.18E-07 -1.89 2.65E-03 1.42 3.62E-03 1.27 1.85E-01 -1.10
(S) 1.329 1.37E-05 1.96 6.41E-07 2.58   *** 2.47E-02 1.95   ***   ***
(S) 0.989 2.70E-03 -2.11 2.70E-03 -1.77 4.05E-08 -1.94   ***   ***   ***
(*) These peaks contained some overlap. Bucket widths were 0.03 ppm except when indicated by (**) which indicates that a 0.005 ppm bucket width was used. Some p-values were not reported for buckets experiencing less than 5% variance and these are indicated by (***). UK = unknown, S=singlet, m=multiplet.
Table 4: P-values and fold-changes for buckets associated with metabolites in lipophilic cell extracts in the following comparisons: H6C7 and Miapaca-2, H6C7 and Panc-1, H6C7 and AsPC-1, Miapaca-2 and Panc-1, Miapaca-2 and AsPC-1, and Panc-1 and AsPC-1 are listed with the significant buckets highlighted.