Table 2.

Differential metabolites for autism and their metabolic pathways.

Metabolite	Ion (m/z)	Rt	VIP	P 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