Table 3

Bucket

Miapaca-2

Fold

Panc-1

Fold

AsPC-1

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.