Table 4.
Compounds identified in BM by GC‐MS, (data adapted from Villaseñor et al. 12)
| No. | Metabolite class | Metabolite | Target ion (Da) | Retention time |
|---|---|---|---|---|
| 1 | Organic acid | Pyruvic acid | 174 | 6.76 |
| 2 | Organic acid | Lactic acid (standard confirmed) | 147 | 6.92 |
| 3 | Organic acid | Glycolic acid | 147 | 7.13 |
| 4 | Amino acid | Valine 1 | 72 | 7.43 |
| 5 | Amino acid | Alanine 1 | 116 | 7.53 |
| 6 | Organic acid | 2‐Hydroxybutyric acid | 147 | 7.87 |
| 7 | Aromatic homomonocyclic compounds | 2‐Furoic acid | 125 | 7.99 |
| 8 | Amino acid | Isoleucine 1 | 86 | 8.57 |
| 9 | Amino acid | Valine 2 | 144 | 9.14 |
| 10 | Aliphatic acyclic compounds | Urea (standard confirmed) | 147 | 9.54 |
| 11 | Aromatic homomonocyclic compounds | Benzoic acid | 179 | 9.62 |
| 12 | Fatty acids | Caprylic acid | 201 | 9.81 |
| 13 | Sugar alcohols | Glycerol (standard confirmed) | 147 | 9.92 |
| 14 | Nonmetal oxoanionic Compounds | Phosphoric acid | 299 | 10 |
| 15 | Amino acid | Proline 2 (standard confirmed) | 142 | 10.28 |
| 16 | Amino acid | Glycine | 174 | 10.39 |
| 17 | Carboxylic acids | Succinic acid | 147 | 10.48 |
| 18 | Sugar acids | Glyceric acid | 189 | 10.74 |
| 19 | Amino acid | Serine 2 (standard confirmed) | 204 | 11.14 |
| 20 | Amino acid | Threonine 2 | 218 | 11.48 |
| 21 | Fatty acids | Capric acid | 229 | 12.39 |
| 22 | Organic acids | Malic acid | 233 | 12.8 |
| 23 | Organic acids | Adipic acid | 111 | 13 |
| 24 | Sugar alcohols | Threitol | 217 | 13.06 |
| 25 | Pyrrolidines | Pyroglutamic acid | 156 | 13.21 |
| 26 | Amino acid | Glutamic acid 1 | 174 | 13.33 |
| 27 | Lactams | Creatinine | 115 | 13.62 |
| 28 | Amino acid | Glutamic acid 2 (Standard confirmed) | 246 | 14.37 |
| 29 | Fatty acids | Lauric acid | 257 | 14.75 |
| 30 | Sugar acids | Lyxose 1/Lyxosylamine 1 | 103 | 14.89 |
| 31 | Sugar acids/monosaccharides | Lyxose 2/Lyxosylamine 2/Ribose | 103 | 15.06 |
| 32 | Sugar alcohols | Xylitol | 217 | 15.47 |
| 33 | Monosaccharides | Fucose 1 | 117 | 15.59 |
| 34 | Monosaccharides | Fucose 2 | 117 | 15.73 |
| 35 | Carboxylic acids | Citric acid (standard confirmed) | 273 | 16.57 |
| 36 | Amino acids and derivatives | Hippuric acid 2 | 105 | 16.88 |
| 37 | Fatty acids | Myristic acid | 117 | 16.91 |
| 38 | Monosaccharides | Tagatose 1/Sorbose 2/Sorbose 1/Fructose 1 | 103 | 17.12 |
| 39 | Monosaccharides | Tagatose 2/Fructose 2/Fructose 1 | 103 | 17.24 |
| 40 | Monosaccharides | Galactose 1/Mannose 1/Allose 1/Gluconic acid lactone 1 | 205 | 17.28 |
| 41 | Monosaccharides | Glucose 1/Talose 1 (standard confirmed) | 319 | 17.4 |
| 42 | Monosaccharides | Altrose 2/Mannose 2/Glucose 2/Allose 2/Talose 2 | 319 | 17.54 |
| 43 | Fatty alcohols | Mannitol/sorbitol | 319 | 17.87 |
| 44 | Fatty alcohols | 1‐Hexadecanol | 299 | 17.95 |
| 45 | Fatty acids | Palmitoleic acid | 311 | 18.68 |
| 46 | Fatty acids | Palmitic acid | 117 | 18.88 |
| 47 | Monosaccharides | N‐acetyl‐D‐mannosamine 1/N‐acetyl‐D‐mannosamine 2 | 319 | 19.19 |
| 48 | Cyclic alcohols | Myo‐inositol (standard confirmed) | 318 | 19.32 |
| 49 | Fatty acid esters | Methyl stearate (internal standard) | 74 | 19.66 |
| 50 | Fatty acids | Heptadecanoic acid | 327 | 19.81 |
| 51 | Fatty acids | Linoleic acid | 75 | 20.42 |
| 52 | Fatty acids | Oleic acid | 339 | 20.48 |
| 53 | Fatty acids | Stearic acid (standard confirmed) | 341 | 20.69 |
| 54 | Fatty acids | Arachidic acid | 369 | 22.37 |
| 55 | Disaccharides | Sucrose | 361 | 24.1 |
| 56 | Disaccharides | Lactose 1 | 361 | 24.46 |
| 57 | Disaccharides | Trehalose/maltose 1/maltose 2 | 361 | 24.91 |
| 58 | Disaccharides | Galactinol 1 | 204 | 26.3 |
| 59 | Steroids and steroid derivatives | Cholesterol | 129 | 27.64 |
Numbers after identification correspond to the number of trimethylsilyl groups found on the molecule after derivatization.