Metabolites Retained by at
Least One Method1
Loadings (Multiplied by 100, rounded to nearest integer)
Black indicates metabolite not retained by method
Raw CSLGU PQ2 OSM INV UO
PC1 PC2 PC3 PC1 PC2 PC3 PC1 PC2 PC1 PC2 PC1 PC2

1Methylnicotinamide

 

 

7

45

-12

52

 

2Methylglutarate

35

-0

-4

 

 

2Oxoglutarate

 

13

-4

49

7

5

24

12

4Hydroxybenzoate

29

-4

-23

 

 

 

Acetate

 

19

29

Alanine

33

9

21

-2

35

28

 

Allantoin

26

-17

-36

 

Ascorbate

33

1

-24

30

13

42

13

Betaine

 

-18

38

-11

 

 

39

-25

Citrate

26

-4

44

7

26

 

Creatine

8

45

14

-28

7

7

29

-43

33

14

Creatinine

 

 

36

-25

-25

 

 

Formate

 

28

-34

6

-40

Glucitol

-2

36

-1

 

 

Glucose

11

36

-32

-4

-0

Glutamate

23

11

23

 

Glutamine

 

42

22

Glycerol

3

13

28

33

-19

Glycine

-22

14

6

36

-22

 

 

Hippurate

 

20

4

26

-42

Homogentisate

-15

27

3

 

 

 

 

Hypoxanthine

 

Inosine

35

6

31

37

Isoleucine

36

5

7

37

18

36

-0

 

Lactate

11

-28

57

 

 

-1

30

Mannitol

 

9

41

Mannose

14

32

-29

14

17

 

 

 

 

Methylguanidine

39

16

-14

 

NIsovaleroylglycine

 

32

28

NNDimethylglycine

22

38

Niacinamide

14

-38

2

28

20

5

 

Oxypurinol

 

12

-1

Phenylacetylglycine

25

-0

-9

22

4

39

3

Pyruvate

21

-33

40

 

1

23

 

Quinolinate

30

10

-6

 

Taurine

 

34

-23

32

-45

Trigonelline

37

-3

-4

 

24

39

Trimethylamine

14

44

14

 

29

-33

36

-12

Trimethylamine N-Oxide

15

44

9

 

12

-42

 

Tyrosine

 

11

25

22

 

Urea

22

-11

-35

 

28

1

Valine

33

-4

21

29

23

 

Xanthine

 

3

-19

-0

 

28

35

Xanthosine

25

13

1

19

2

 

Eigenvalue

5.44

2.60

1.89

3.86

2.49

1.78

4.57

2.37

3.36

2.24

5.02

1.43

Cumulative Proportion Explained

36%

54%

66%

19%

32%

41%

35%

53%

21%

35%

42%

54%

Table 2: Results of PCA analysis including metabolites retained for raw and normalized urine samples, eigenvectors/loadings, eigenvalues, and proportion of variation explained. The metabolites not retained by any method include 1-6-Anhydro-β-D-glucose, Adenosine, Choline, cis-Aconitate, Dimethylamine, Fumarate, Glutathione, Glycoproline, Lysine, Proline, Succinate, Tryptophan, and Tyramine.
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