Table 1 1H-NMR data for metabolites identified from the rat serum samples.

From: Comparative metabonomics of Wenxin Keli and Verapamil reveals differential roles of gluconeogenesis and fatty acid β-oxidation in myocardial injury protection

Peak

Metabolites

δ 1H (multiplicitya)

1

lipids

0.86 (br. s), 1.26 (m), 2.77 (m), 5.28 (m)

2

leucine

0.92 (d), 0.93 (d), 1.70 (m)

3

isoleucine

0.94 (t), 0.99 (d), 3.66 (d)

4

valine

0.97 (d), 1.04 (d), 3.60 (d)

5

3-hydroxybutyrate

1.18 (d), 2.28 (dd), 2.39 (dd), 4.14 (m)

6

lactate

1.31 (d), 4.11 (q)

7

alanine

1.47 (d), 3.76 (m)

8

acetate

1.91 (s)

9

N-acetyl glycoprotein

2.02 (br. s)

10

O-acetyl glycoprotein

2.12 (br. s)

11

acetone

2.21 (s)

12

acetoacetate

2.26 (s)

13

pyruvate

2.35 (s)

14

glutamate

2.12 (m), 2.04 (m), 2.34 (m), 3.76 (m)

15

glutamine

2.13 (m), 2.44 (m), 3.77 (m)

16

malate

2.66 (dd), 2.37 (dd), 4.23 (br. d)

17

creatine phosphate

3.03 (s), 3.93 (s)

18

choline

3.19 (s)

19

trimethylamine N-oxide

3.25 (s)

20

taurine

3.25 (t), 3.40 (t)

21

methanol

3.34 (s)

22

glycine

3.55 (s)

23

threonine

3.58 (d), 1.32 (d), 4.25 (m)

24

glycerol

3.64 (dd), 3.55 (dd), 3.77 (m)

25

serine

3.93 (dd), 3.98 (dd)

26

glucose

5.22 (d), 4.64 (d), 3.89 (dd), 3.83 (m), 3.72 (m), 3.53 (dd), 3.46 (m), 3.40 (t), 3.24 (dd)

27

tyrosine

6.89 (d), 7.18 (d)

28

phenylalanine

7.31 (m), 7.37 (m), 7.41 (m)

29

formate

8.44 (s)

  1. aMultiplicity: singlet (s), doublet (d), triplet (t), doublet of doublets (dd), quintet (q), multiplet (m).
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