Table 1

Assignment of the ¹H NMR spectral signals of the apolar fraction.

Peak number

Chemical shift (ppm)

Assignment^a

1

0.68

Total cholesterol C¹⁸H₃

2

0.85/0.86

Total cholesterol C²⁶H₃/C²⁷H₃

3

0.86-0.91

Acyl groups CH₃ (all except n-3)

4

0.92

Total cholesterol C²¹H₃

5

0.98

n-3 acyl groups CH₃

6

1.01

Free cholesterol C¹⁹H₃

7

1.02

Esterified cholesterol C¹⁹H₃

8

1.06-1.19

Multiple cholesterol protons

9

1.20-1.38

Acyl groups -(CH₂)n-

10

1.50-1.65

Acyl groups -OCO-CH₂-CH₂- and H₂O

11

1.79-1.88

Multiple cholesterol protons

12

1.97-2.10

Acyl groups -CH₂-CH=CH-

13

2.24-2.38

Acyl groups -OCO-CH₂-

14

2.72-2.88

Acyl groups =HC-CH₂-CH=

15

3.28-3.38

Choline N(CH₃)₃

16

3.90-4.02

Glycerophospholipids N-CH₂

17

4.10-4.32

Glycerol backbone -CH₂OCOR

18

4.33-4.43

Phosphatidylcholine PO-CH₂

19

4.50-4.66

Esterified cholesterol C³H

20

5.17-5.24

Glycerophospholipid backbone >CHOCOR

21

5.24-5.28

Glycerol backbone >CHOCOR

22

5.29-5.43

Acyl groups -CH=CH-

Numbers correspond to those in Figure 1.

^aProtons assignment based on [81]

Ruiz-Aracama et al. BMC Genomics 2011 12:251   doi:10.1186/1471-2164-12-251