Table 1

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

Peak number

Chemical shift (ppm)

Assignmenta


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

Open Data