Lipid |
1 |
fatty acid derivatives |
0.85 / 13.22; 0.88 / 20.75; 0.92 (m) / 10.98 / 18.49; 0.94 (m) / 13.44 / 20.73; 1.28 / 21.26 / 30.55; 1.30 / 25.43; 2.34 (d, 7.1) / 28.87 / 35.54 |
0.87 / 14.32; 0.86 / 13.06; 0.88 / 20.50; 0.93 / 10.85 / 13.13; 1.28 / 21.7 / 30.60; 1.30 / 24.12 / 28.18 |
Amino acid |
2 |
alanine |
1.47 (d, 7.2) / 16.02; 3.76 (m) / 54.29 |
1.47 (d, 7.0) / 15.87; 3.77 (m) / 55.49 |
3 |
arginine |
1.70 (dt, 13.7, 7.7) / 26.1; 1.89 (t, 7.3) / 29.75; 3.24-3.22 (m) / 40.36; 3.77 (dt, 8.6, 3.5) / 54.29 |
1.67; 1.9 / 29.6; 3.23 / 40.22; 3.76 / 54.73 |
4 |
aspartate / aspartic acid |
2.73-2.69 (m) / 56.73; 2.74 (s) / 36.29; 2.78 / 39.11 |
-
|
5 |
asparagine |
2.85 (dd, 17.0, 7.4) / 34.37; 2.94 (m) / 34.32; 4.00 (m) / 51.16 |
-
|
6 |
γ-aminobutyrate (gaba) |
1.89 (t, 7.3) / 29.75; 2.29 (t, 7.4) / 34.12; 3.02-2.98 (m) / 39.13 |
1.90 (q, 7.2) / 27.37; 2.29 (t, 7.4) / 34.17; 3.00 (t, 7.3) / 38.96 |
7 |
isoleucine |
0.97-0.92 (m) / 11.02; 1.00 (d. 6.9) / 14.53; 1.23 (dd, 6.7, 3.3) / 18.55; 1.46 / 25.14; 1.97 (d, 3.4) / 35.79; 3.64 / 62.22 |
0.94 (m) / 13.13; 1.00 (d, 6.8) / 14.33; 1.45 / 24.2; 1.97 (d, 3.4) / 35.69; 3.64 / 62.31 |
8 |
leucine |
0.97-0.92 (m) / 20.72 / 21.89; 1.70 (dt, 13.7, 7.7) / 26.26 / 39.67; 3.72 / 53.11 |
0.94 (m) / 20.59; 1.70 (dt, 13.7, 7.7) / 26.26 / 39.67; 3.72 / 58.25 |
9 |
glutamine |
2.13 (d, 6.4) / 25.96; 2.44 (d, 4.4) / 30.7; 3.77 (m) / 54.29 |
2.13 (m) / 26.00; 2.48-2.42 (m) / 30.56; 3.77 (d, 8.7) / 55.49 |
10 |
glutamic acid |
2.09-2.03 (m) / 28.69; 2.16 (d, 7.9) / 27.07; 2.34 (d, 7.1) / 37.90; 3.75 / 54.39 |
2.06 (m) / 28.72; 2.21-2.16 (m); 2.30 (t, 7.3) / 34.17; 3.76 / 54.33 |
11 |
glycine |
3.55 / 41.17 |
-
|
12 |
threonine |
1.32 (d, 6.6) / 24.18; 3.57-3.55 (m) / 63.69; 4.25 / 65.67 |
1.32 (d, 6.3) / 19.16; 3.57 / 62.3; 4.24 / 65.6 |
13 |
L-serine |
3.83 / 60.71; 4.00 (d, 6.8) / 63.09 |
-
|
14 |
valine |
0.98 (d, 7.0) / 16.55; 1.03 (d, 7.0) / 17.65; 2.26 / 28.74; 3.59 / 60.97 |
0.98 (d, 7.0) / 16.37; 1.03 (d, 6.9) / 17.68; 2.27 / 28.78; 3.58 / 61.16 |
15 |
tyrosine |
3.08 / 37.4; 3.92 (q, 3.0) / 56.03; 6.88 (d, 8.2) / 115.61; 7.18 (d, 8.1) / 130.65 |
6.88 (d, 7.9) /115.42; 7.18 (d, 8.0) / 130.46 |
16 |
tryptophan |
3.47 (dd, 9.9, 4.2); 4.05 (m) / 55.48; 7.18 (d, 8.1); 7.27 (d, 8.1); 7.32 (d, 7.5) / 129.20; 7.52 (d, 8.4) / 115.68; 7.72 (d, 7.8) |
3.46 (m); 4.05 (d, 2.7) / 55.3; 7.32 (d, 7.7) / 129.32; 7.52 (d, 7.8) / 111.34; 7.72 (d, 7.7) |
17 |
phenylalanine |
3.13 / 41.11; 3.95 / 59.89; 7.32 (d, 7.5) / 129.2; 7.38-7.34 (m) / 127.38; 7.44-7.39 (m) / 128.97 |
3.13 / 40.96; 3.23 / 40.22; 7.32 (d, 7.7) / 129.26; 7.37 (d, 7.0) / 127.5; 7.41 (d, 7.2) / 128.76 |
Sugar |
18 |
β-glucose |
4.63 (d, 7.9) / 95.77; 3.46 (m) / 75.75; 3.39 (td, 9.5, 5.4) / 69.46 |
4.63 (d, 7.9) / 95.58; 3.46 (m) / 75.75; 3.39 / 69.31; 3.45 (d, 5.3); 3.90 (m) / 60.44 |
19 |
α-glucose |
5.22 (d, 3.7) / 91.95; 3.82 (m) / 71.25; 3.51 (d, 3.9); 3.39 (td, 9.5, 5.4) / 69.72 |
5.22 (d, 3.7) / 91.78; 3.88 / 69.7; 3.51 (m) / 67.12; 3.39 / 69.31 |
20 |
sucrose |
5.40 (d, 3.9) / 92.01; 4.21 (d, 8.8) / 76.2; 4.04 (m) / 71.93; 3.81-3.80 (m) / 62.19 / 3.74 (m) / 70.83; 3.57-3.55 (m) / 69.08 |
5.40 (d, 5.4) / 91.83; 4.21 (d, 8.7) / 76.2 |
21 |
fructose |
4.10 / 75.26; 3.98 / 69.08; 3.88 / 69.51; 3.81-3.80 (m) / 80.5; 3.79 / 69.7; 3.69 / 63.32; 3.54 / 63.06 |
4.11 / 75.08; 4.03; 4.00 / 70.74; 3.82 / 80.36; 3.76 / 70.89; 3.69 / 67.22; 3.54 / 63.55 |
Organic acid |
22 |
lactic acid |
1.32 (d, 6.6) / 24.02; 4.1 (t, 3.7) / 74.21 |
1.32 (d, 6.3) / 19.16; 4.07 / 70.21 |
23 |
formic acid |
8.46 (s) |
-
|
24 |
fumaric acid |
6.51 (s) / 135.07 |
-
|
Phenolic compound |
25 |
p-coumaric acid |
7.51 / 129.40; 6.88 / 115.61; 6.23 / 109.76 |
7.44 / 141; 7.52 / 129.26; 6.85 / 115.02; 6.32 / 114.76 |
Miscellaneous |
26 |
choline |
3.19 (s) / 53.73; 3.50 (m) / 67.13; 4.04 (m) / 55.48 |
3.19 (s) / 53.56; 3.5; 4.05 / 55.3 |
27 |
betaine |
3.25 (s) / 53.23; 3.88 / 69.51 |
3.25 (s) / 53.05; 3.88 / 67.22 |
28 |
pyruvic acid |
2.34 / 28.87 |
-
|
29 |
tyrosol |
2.78 (d, 9.8) / 39.11; 3.77 (m) / 65.41; 6.88 (d, 8.2) / 115.61; 7.18 (d, 8.1) / 130.49 |
-
|