Table 3.

Confirmed features significantly associated with CD in MWAS at p<0.05. Logistic regression models adjusted for age, gender, diet restrictions and BMI.

m/z	Time(s)	Odds Ratio	95% CI	P-value	Chemical Name	KEGG*ID	HMDB**ID	Identification Level***
111.0199	13.4	0.64	0.46, 0.87	0.005	Uracil	C00106	HMDB00300	1
187.1338	22.1	1.43	1.05, 1.94	0.024	10-Hydroxydecanoate	C02774	N/A	1
177.0407	19	1.41	1.02, 1.93	0.036	D-Gulonic Acid Gamma-Lactone	C01040	HMDB03466	1
327.2333	234.9	1.40	1.02, 1.91	0.036	Docosahexaenoic Acid	C06429	HMDB02183	1
173.0569	17.9	0.73	0.54, 0.99	0.046	N-Alpha-Acetyl-L-Asparagine	CA1214	HMDB06028	1

^*KEGG: Kyoto Encyclopedia of Genes and Genomes.

^**HMDB: Human Metabolome Database.

^***Identification Level: adapted from Schymanski et al. –

Level 1: confirmed via appropriate measurement of a reference standard with MS, MS/MS and retention time matching.

Level 2: confirmed by MS/MS and matched with online databases or in-silico predicted spectra.

Level 3: confirmed by MS/MS at the chemical class level, but no evidence for a specific metabolite.

Level 4: computationally annotated using xMSannotator with confidence level medium or above.

Level 5: matched accurately by mass.