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
Adenine /AMP 8.611 2.70E-03 -5.30 2.04E-10 -4.40 5.54E-14 -5.81   ***   ***   ***
ATP/ADP 8.538 6.00E-08 3.00 5.50E-02 2.73   ***   *** 6.44E-05 -1.98   ***
3-hydroxyisovaleric acid 1.254 3.40E-12 <-10 5.74E-12 <-10 4.90E-12 <-10   ***   ***   ***
Acetamide 2.023 6.05E-14 6.99 1.00E-10 4.52   *** 4.70E-07 -1.54 7.32E-13 -5.97 6.65E-02 -3.86
Acetate 1.921 1.55E-05 3.23 6.79E-07 4.90 2.29E-06 2.38 1.02E-02 1.52 4.47E-02 -1.36 2.57E-04 -2.06
N-acetlyglucosamine 2.04   ***   *** 4.55E-02 5.21   *** 5.47E-02 4.37 2.42E-15 7.38
Alanine 1.489 2.20E-01 -3.49 6.90E-15 <-10 2.70E-03 -2.06 9.12E-01 <-10 5.71E-01 1.94 4.84E-01 >10
  1.481 5.65E-08 -1.77 3.35E-02 <-10 3.23E-09 -1.42 6.92E-07 -3.19   *** 2.51E-12 4.00
Aspartate 3.908   ***   *** 8.50E-14 3.36   ***   ***   ***
  3.901   ***   *** 3.89E-13 4.73   ***   ***   ***
  3.894   ***   *** 1.59E-13 3.51   ***   ***   ***
Choline 3.209 3.17E-01 1.72 1.05E-09 -3.52 5.60E-11 >10 4.02E-02 -6.04 3.95E-03 8.50 3.45E-10 >10
Creatine 3.933 8.62E-01 >10 4.86E-08 1.89   *** 8.51E-01 <-10 6.66E-01 1.37 1.05E-05 -1.51
  3.04 1.16E-01 1.07 5.50E-02 1.67   *** 7.23E-06 1.58   *** 2.76E-06 -1.62
Creatine phosphate 3.953   *** 1.10E-08 2.77   *** 7.36E-08 3.10   *** 4.94E-07 -2.21
  3.046 1.52E-02 -1.55   ***   *** 6.12E-08 4.24   *** 7.45E-01 >10
  3.053 2.70E-03 -6.14 3.09E-07 2.06 2.70E-03 -16.70   ***   *** 6.65E-02 -7.68
Glutamate 2.348 6.31E-01 -1.05   *** 1.27E-08 -2.06 8.29E-01 -1.00 1.10E-03 <-10 3.35E-07 -1.94
  2.358 8.60E-01 1.01   *** 2.70E-03 -1.89 6.66E-01 1.10 2.06E-04 -1.92 6.65E-02 -2.10
  *2.162 5.56E-13 -2.21 1.20E-07 -1.86 4.22E-13 -2.18 4.02E-02 -2.84   ***   ***
  *2.155 2.34E-12 -3.09 3.35E-02 -4.37 8.06E-13 -5.19   ***   ***   ***
  *2.144 3.80E-14 -3.63 3.35E-02 -4.53 6.05E-15 -7.05   ***   ***   ***
  *2.137 5.28E-11 -2.14 5.88E-12 -2.79 2.00E-13 -4.96   ***   ***   ***
  *2.127 1.62E-08 -1.70 3.35E-02 -1.75 2.51E-12 -3.28   ***   ***   ***
  *3.785   *** 3.35E-02 -2.34 1.04E-10 -2.18   *** 3.52E-06 -2.99   ***
  *3.776 2.70E-03 -2.17 5.61E-13 -4.85 3.51E-08 -5.18 1.80E-03 1.41 9.94E-02 -1.48   ***
  *3.769 2.70E-03 -2.03 9.94E-07 -1.40 8.32E-11 -2.12   ***   ***   ***
Glutamine 2.476 1.22E-12 -5.44 4.89E-01 <-10 4.15E-01 <-10   ***   ***   ***
  2.47 7.47E-14 -6.42 4.89E-01 <-10 4.15E-01 <-10   ***   ***   ***
  2.458 1.65E-13 -7.26 3.06E-01 <-10 1.52E-14 <-10   ***   ***   ***
  2.45 2.31E-14 -6.11 3.06E-01 <-10 7.15E-17 <-10   ***   ***   ***
  2.44 2.85E-13 -5.77 3.34E-15 <-10 3.58E-16 <-10   ***   ***   ***
  *2.162 5.56E-13 -2.21 1.20E-07 -1.86 4.22E-13 -2.18 4.02E-02 -2.84   ***   ***
  *2.155 2.34E-12 -3.09 3.35E-02 -4.37 8.06E-13 -5.19   ***   ***   ***
  *2.144 3.80E-14 -3.63 3.35E-02 -4.53 6.05E-15 -7.05   ***   ***   ***
  *2.137 5.28E-11 -2.14 5.88E-12 -2.79 2.00E-13 -4.96   ***   ***   ***
  *2.127 1.62E-08 -1.70 3.35E-02 -1.75 2.51E-12 -3.28   ***   ***   ***
  *3.785   *** 3.35E-02 -2.34 1.04E-10 -2.18   *** 3.52E-06 -2.99   ***
  *3.776 2.70E-03 -2.17 5.61E-13 -4.85 3.51E-08 -5.18 1.80E-03 1.41 9.94E-02 -1.48   ***
  *3.769 2.70E-03 -2.03 9.94E-07 -1.40 8.32E-11 -2.12   ***   ***   ***
Glutathione 2.972 2.39E-08 3.78   ***   *** 1.01E-06 -2.48   ***   ***
  2.553 3.46E-06 3.09   ***   *** 2.06E-05 -3.01   ***   ***
  *2.176 1.21E-05 1.74   ***   ***       ***   ***
  *2.168 3.50E-06 1.71   ***   *** 8.25E-04 -1.51   ***   ***
Glycophosphocholine 3.235 2.70E-03 4.35 9.34E-01 4.48 1.65E-01 3.42 6.65E-02 1.92 3.37E-01 -1.19   ***
Isoleucine *3.687   *** 2.67E-12 4.92   ***   ***   ***   ***
  *3.680   *** 8.84E-15 2.62   *** 7.90E-05 1.84   ***   ***
  0.944 1.92E-07 -1.63   *** 2.70E-03 -2.43   ***   ***   ***
  1.019 1.69E-08 -1.86   *** 1.21E-15 -10.39   ***   ***   ***
  1.011 1.80E-08 -1.86   *** 1.47E-14 -2.513 1.40E-01 2.77   *** 1.18E-01 -6.66
Lactate 4.109 2.70E-03 -4.26 4.83E-09 -3.30 2.70E-03 -4.15   ***   ***   ***
Leucine 0.975 2.12E-10 -1.79   *** 1.09E-13 -2.43   ***   ***   ***
  0.968 2.70E-03 -1.69   *** 4.96E-15 -2.36   ***   ***   ***
Myo inositol ** 4.073 2.37E-02 1.31 2.55E-16 4.00 2.70E-03 3.55 8.06E-09 2.31 3.95E-03 2.88 1.60E-01 -1.48
  3.641 4.49E-05 1.66 1.81E-13 3.76 5.94E-16 3.94 9.83E-09 2.35 4.74E-09 2.32   ***
  3.629 2.23E-05 1.79 5.58E-15 3.66 1.08E-15 3.99 8.21E-09 2.36 3.95E-03 2.20   ***
  *3.618 7.40E-05 1.71 1.97E-13 5.88 1.15E-15 3.73 2.98E-08 2.30 4.03E-08 2.15 2.93E-05 -1.09
  3.552 3.68E-05 1.67 1.78E-12 1.64 1.04E-15 3.44 6.65E-02 2.54 3.65E-08 2.02 *** ***
  3.537 9.32E-05 1.55 9.75E-13 1.43 4.60E-09 3.96   *** 1.64E-07 2.37 1.56E-04 -1.11
  3.301 2.70E-03 4.53 1.43E-13 9.69 2.70E-03 4.22 2.44E-09 2.29 7.82E-02 1.79 6.65E-02 -2.73
  *3.29 3.89E-02 1.57 5.47E-02 >10 2.70E-03 2.80 1.25E-08 2.33 3.95E-03 2.38 6.65E-02 -1.59
  *3.278 2.38E-02 1.56 1.00E+00 4.65 3.17E-01 2.45 2.80E-08 2.27 5.47E-02 2.56 4.50E-01 1.46
Octanoic acid 1.299   *** 8.90E-07 9.69   ***   ***   ***   ***
  1.293   *** 3.37E-06 >10   *** 1.48E-02 1.82   ***   ***
  1.286   *** 3.51E-05 4.65   ***   ***   ***   ***
Phosphocholine 3.226 2.70E-03 2.62 3.35E-02 -4.52 2.70E-03 2.881 4.02E-02 <-10 3.37E-01 1.10 1.31E-08 >10
Serine 3.991 3.42E-09 -2.07 9.50E-15 -5.84 1.37E-13 -3.477 ***     ***   ***
Succinate 2.406   *** 1.91E-06 -1.91 3.67E-08 2.415 ***   5.02E-08 3.53 2.94E-08 4.62
Threonine 3.602 8.60E-05 3.62   ***   *** 1.63E-02 -1.64   ***   ***
  3.592 4.55E-02 1.56   ***   *** 4.02E-02 -1.96   *** 1.06E-03 >10
  1.341   *** 1.76E-01 1.30 3.17E-01 -1.26 2.19E-01 1.26 2.62E-01 -1.42 1.90E-05 -2.03
UDP  species 5.992 1.57E-07 3.91 ***   ***   8.04E-07 -3.92   ***   ***
  5.986 2.64E-06 3.34 ***   ***   1.27E-05 -3.20   ***   ***
  5.979 4.76E-08 4.75   ***   *** 4.15E-06 -2.66 5.65E-07 -3.66   ***
  5.969 3.23E-08 4.77   ***   *** 1.63E-06 -3.06 2.27E-07 -4.38   ***
  2.084 6.97E-05 2.47 1.04E-07 <-10 2.70E-03 -3.16 2.22E-05 -4.29 9.80E-06 -6.18   ***
Valine 1.051 2.70E-03 -1.97 2.88E-07 -1.58 7.50E-18 -4.32   ***   ***   ***
  1.043 2.70E-03 -2.01 3.32E-07 -1.60 4.93E-17 -4.09   ***   ***   ***
  0.992 4.67E-08 -1.95 3.35E-02 -1.54 3.71E-17 -3.92   ***   ***   ***
Sugar region 4.387 3.19E-01 9.92   ***   *** 1.37E-08 -3.21   ***   ***
  4.381 2.18E-08 3.57   ***   *** 1.23E-07 -4.17 1.08E-07 -3.94   ***
  4.375 2.75E-07 2.29   ***   *** 2.41E-05 -3.27 8.29E-08 -4.16   ***
  4.363 2.03E-07 3.37   ***   *** 1.44E-06 -3.23   ***   ***
  4.296 2.01E-12 3.67   ***   *** 4.25E-10 -2.72   ***   ***
  4.24 8.62E-11 4.31   ***   *** 1.28E-08 -1.99   ***   ***
UK (m) 3.173 3.35E-02 <-10 6.51E-17 <-10 4.15E-01 <-10   ***   ***   ***
  3.159 3.74E-16 <-10 8.79E-18 <-10 9.19E-18 <-10   ***   ***   ***
UK (m) 2.955 1.58E-14 <-10 4.15E-01 <-10 4.89E-01 ****   ***   ***   ***
  2.945   *** 4.15E-01 <-10 2.07E-15 -7.40 4.23E-01 <-10 1.38E-08 -5.24   ***
  2.936   *** 4.15E-01 <-10 7.10E-13 <-10 4.23E-01 <-10 4.02E-02 -8.80   ***
UK (t) 3.871   *** 2.99E-17 -4.89 1.50E-15 -3.08   ***   ***   ***
  3.864 2.70E-03 -3.68 1.62E-15 -7.58 5.42E-15 -3.97   ***   ***   ***
  3.857   *** 6.91E-17 -5.73 1.73E-11 -2.39   ***   ***   ***
UK (m) 3.826 2.47E-06 3.12   ***   *** 8.33E-06 -3.27   ***   ***
  3.803   ***   ***   *** 2.91E-07 -2.96   ***   ***
  3.798 1.17E-04 3.96   ***   ***   ***   ***   ***
UK(s) 3.772   ***   ***   ***   ***     8.47E-05 -1.51
UK(s) 3.362   *** 3.27E-14 5.77   *** 1.06E-04 2.83   *** 6.65E-02 -4.72
*0.01ppm bucket
*** no fold change due to absence of the metabolite in one group
UK = unknown
UK(s) = unknown singlet
UK(t) = unknown triplet
UK(m) = unknown multiplet
Table 3: P-values and fold-changes for buckets associated with metabolites in hydrophilic cell extracts in the following comparisons: H6C7 and Miapaca-2, H6C7 and Panc- 1, H6C7 and AsPC-1, Miapaca-2 and Panc-1 (MP), Miapaca-2 and AsPC-1 (MA), and Panc-1 and AsPC-1 (PA) are listed with the significant buckets highlighted. Some p-values were not reported for buckets experiencing less than 5% variance.