Table 3.
Amino Acids | 1H Shift |
---|---|
2‐Aminobutyrate (C4H9NO2) | 1.86 |
4‐Aminobutyrate (C4H9NO2) | 3.00 |
Alanine (C3H7NO2) | 1.46 |
Aspartate (C4H7NO4) | 2.81 |
Glutamate (C5H9NO4) | 2.36 |
Glycine (C2H5NO2) | 3.55 |
Glutamine (C5H10N2O3) | 2.42 |
Isoleucine (C6H13NO2) | 1.00 |
Leucine (C6H13NO2) | 1.71 |
Phenylalanine (C9H11NO2) | 3.26 |
Threonine (C4H9NO3) | 3.58 |
Tyrosine (C9H11NO3) | 6.88 |
Valine (C5H11NO2) | 0.97 |
Lipids | 1H Shift |
---|---|
Fatty acids with α‐CH2 | 2.23 |
Fatty acids with (‐CH2‐)n | 1.25 |
Fatty acids with =CH‐CH2‐CH2= +citrate | 2.69 |
Fatty acids with –CH3 | 0.84 |
Fatty acids with =CH‐CH2‐CH2‐ | 2.00 |
Fatty acids with –CH=CH | 5.31 |
HDL apolipoproteins | 6.50 |
Cholesterol (C27H46O) | 0.66 |
Valerate (C5H10O2) | 1.28 |
Fatty acids with β‐CH2 | 1.57 |
3‐Hydroxybutyrate (C4H8O3) | 1.20 |
Carbohydrates | 1H Shift |
---|---|
α‐Glucose (C6H12O6) | 5.23 |
Glucose+taurine (C6H12O6+C2H7NO3S) | 3.24 |
Glucose (C6H12O6) | 3.47 |
Glycoprotein | 2.04 |
Organic Acids | 1H Shift |
---|---|
Acetate (C2H4O2) | 1.91 |
4‐Hydroxybutyrate (C4H8O3) | 1.78 |
Lactate (C3H6O3) | 1.33 |
2‐Oxobutyrate (C4H6O3) | 2.75 |
Other Metabolites | 1H Shift |
---|---|
Creatinine (C4H7N3O) | 4.05 |
Choline (C5H14NO) | 3.21 |
Ethanolamine (C2H7NO) | 3.41 |
Trimethylamine (C3H9N) | 3.37 |
Glycerol (C3H8O3) | 3.61 |
Ethanol (C2H6O) | 3.64 |
Creatine+creatine‐phosphate (C4H9N3O2+C4H10N3O5P) | 3.92 |
Phosphocholine (C5H15NO4P) | 3.22 |
Glucose+2‐aminobutyrate (C6H12O6+C4H9NO2) | 3.72 |
Glucose+glutamine (C6H12O6+C5H10N2O3) | 3.78 |
Glucose+2‐phosphoglycerate (C6H12O6+C3H7O7P) | 3.80 |
Unknown molecule | 3.87 |
HDL indicates high‐density lipoprotein.