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.

MetaboliteIon ()RtVIP valueFold change (autism/control)Pathway

Nicotinamide164.0780128314.44652.040.031.84Nicotinate and nicotinamide metabolism
Phosphorylcholine184.0770546491.1862.010.022.34Phosphorylcholine metabolism
Gly-Glu205.0852678401.0531.740.031.47Amino acid metabolism
Acetylcarnitine226.1098247202.8871.850.042.60Acetyl-CoA synthase
Ala-Thr235.0684618234.51852.200.021.42Amino acid metabolism
Thr-Asp235.0948054405.12151.590.031.39Amino acid metabolism
His-Pro235.1210422143.1711.580.051.78Amino acid metabolism
Bethanechol cation238.0473387384.9752.390.011.91Unknown
Pro-Ser241.0583313314.2821.240.040.66Amino acid metabolism
D-Neopterin254.08997324.5511.600.051.71Tryptophan kynurenine pathway
7,8-Dihydroneopterin256.1055818332.3381.580.041.84Tryptophan kynurenine pathway
5-Aminopentanoic acid257.1511912194.75251.270.052.94Catabolism of lysine
Lys-Pro261.1903229222.9311.840.021.54Amino acid metabolism
Anthranilic acid (vitamin L1)275.1038159282.9821.680.022.18Tryptophan kynurenine pathway
1-Methyladenosine282.120322132.1131.930.031.50Modified nucleosides
3-O-Methylinosine283.096997135.5171.790.021.55Modified nucleosides
Val-Met290.1604362308.29652.300.001.81Amino acid metabolism
S-Methyl-5-thioadenosine298.0970956100.9681.350.041.66Unknown
N-Acetylaspartylglutamate (NAAG)305.097723412.49451.700.021.42Neurotransmitter
1-Naphthol306.1546719392.7091.960.001.86Naphthalene metabolites
N-Acetylneuraminic acid310.1131559359.1782.010.021.83Sialic acid pathway
Deoxyinosine313.106571135.5632.110.011.74Purine metabolism
Met-Gln319.1497604390.3991.950.011.39Amino acid metabolism
Behenic acid358.36562338.1361.560.041.48Lipid metabolism