Skip to main content

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

From: An untargeted multi-technique metabolomics approach to studying intracellular metabolites of HepG2 cells exposed to 2,3,7,8-tetrachlorodibenzo-p-dioxin

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 >CH OCOR
21 5.24-5.28 Glycerol backbone >CH OCOR
22 5.29-5.43 Acyl groups -CH=CH-
  1. Numbers correspond to those in Figure 1.
  2. aProtons assignment based on [81]