Research Article
Untargeted Metabolomic Profiling Using UHPLC-QTOF/MS Reveals Metabolic Alterations Associated with Autism
Table 2
Differential metabolites for autism and their metabolic pathways.
| Metabolite | Ion () | Rt | VIP | value | Fold change (autism/control) | Pathway |
| Nicotinamide | 164.0780128 | 314.4465 | 2.04 | 0.03 | 1.84 | Nicotinate and nicotinamide metabolism | Phosphorylcholine | 184.0770546 | 491.186 | 2.01 | 0.02 | 2.34 | Phosphorylcholine metabolism | Gly-Glu | 205.0852678 | 401.053 | 1.74 | 0.03 | 1.47 | Amino acid metabolism | Acetylcarnitine | 226.1098247 | 202.887 | 1.85 | 0.04 | 2.60 | Acetyl-CoA synthase | Ala-Thr | 235.0684618 | 234.5185 | 2.20 | 0.02 | 1.42 | Amino acid metabolism | Thr-Asp | 235.0948054 | 405.1215 | 1.59 | 0.03 | 1.39 | Amino acid metabolism | His-Pro | 235.1210422 | 143.171 | 1.58 | 0.05 | 1.78 | Amino acid metabolism | Bethanechol cation | 238.0473387 | 384.975 | 2.39 | 0.01 | 1.91 | Unknown | Pro-Ser | 241.0583313 | 314.282 | 1.24 | 0.04 | 0.66 | Amino acid metabolism | D-Neopterin | 254.08997 | 324.551 | 1.60 | 0.05 | 1.71 | Tryptophan kynurenine pathway | 7,8-Dihydroneopterin | 256.1055818 | 332.338 | 1.58 | 0.04 | 1.84 | Tryptophan kynurenine pathway | 5-Aminopentanoic acid | 257.1511912 | 194.7525 | 1.27 | 0.05 | 2.94 | Catabolism of lysine | Lys-Pro | 261.1903229 | 222.931 | 1.84 | 0.02 | 1.54 | Amino acid metabolism | Anthranilic acid (vitamin L1) | 275.1038159 | 282.982 | 1.68 | 0.02 | 2.18 | Tryptophan kynurenine pathway | 1-Methyladenosine | 282.120322 | 132.113 | 1.93 | 0.03 | 1.50 | Modified nucleosides | 3-O-Methylinosine | 283.0969971 | 35.517 | 1.79 | 0.02 | 1.55 | Modified nucleosides | Val-Met | 290.1604362 | 308.2965 | 2.30 | 0.00 | 1.81 | Amino acid metabolism | S-Methyl-5-thioadenosine | 298.0970956 | 100.968 | 1.35 | 0.04 | 1.66 | Unknown | N-Acetylaspartylglutamate (NAAG) | 305.097723 | 412.4945 | 1.70 | 0.02 | 1.42 | Neurotransmitter | 1-Naphthol | 306.1546719 | 392.709 | 1.96 | 0.00 | 1.86 | Naphthalene metabolites | N-Acetylneuraminic acid | 310.1131559 | 359.178 | 2.01 | 0.02 | 1.83 | Sialic acid pathway | Deoxyinosine | 313.1065711 | 35.563 | 2.11 | 0.01 | 1.74 | Purine metabolism | Met-Gln | 319.1497604 | 390.399 | 1.95 | 0.01 | 1.39 | Amino acid metabolism | Behenic acid | 358.365623 | 38.136 | 1.56 | 0.04 | 1.48 | Lipid metabolism |
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