Table 1 Linear correlation analysis of metabolite abundances in the test cohort with MRIDSS and WCLS values of each CLN2 subject.

Compound Name	Detection mode	Mass (Da)	RT (min)	p (CLN2 vs Control)	FC(CLN2 vs Control)	Correlation Analysis				METLIN DB match
						MRIDSS		WCLS
						Pearson r²	p-value	Pearson r²	p-value
N-Acetyl-neuraminic Acid	ANPneg	309.104	6.34	9.5E-04	−2.21	0.2299	1.36-01	0.2838	9.2E-02	N-Acetyl-neuraminic Acid
N-Acetyl-neuraminic Acid	ANPpos	309.104	6.34	2.0E-03	−2.26	0.2007	1.7E-01	0.2684	1.0E-01	N-Acetyl-neuraminic Acid
Unknown 1	ANPneg	304.090	8.86	1.9E-04	−2.39	0.6039	4.9E-03	0.4587	2.2E-02	N-Acetylaspartyl-glutamic Acid
Unknown 1	ANPpos	304.090	8.86	1.8E-05	−4.47	0.5909	5.7E-02	0.3944	3.9E-02	N-Acetylaspartyl-glutamic Acid
Unknown 1 adduct	ANPneg	402.059	8.84	9.0E-05	−2.42	0.6104	4.5E-03	0.4871	1.7E-02	N/A
Unknown 1 fragment	ANPneg	286.084	8.84	4.3E-02	−14.5	0.5243	2.7E-02	0.4420	0.5E-02	N/A
Unknown 2	ANPneg	334.071	7.05	6.5E-02	−5.39	0.5256	1.8E-02	0.5664	1.2E-02	Glycero-3-phosphoinositol
Unknown 2	ANPpos	334.071	7.05	5.5E-02	−6.66	0.5988	8.6E-03	0.6750	3.6E-03	Glycero-3-phosphoinositol
Unknown 3	ANPneg	600.210	7.49	4.7E-05	−2.83	0.3771	4.4E-02	0.5024	1.5E-02	N/A
Unknown 4	ANPneg	95.988	5.84	1.0E-03	−1.38	0.3469	5.6E-02	0.3443	0.56E-02	Methane-sulfonic Acid
Unknown 5^a	ANPneg	131.056	4.64	2.5E-03	−1.94	0.4235	3.0E-02	0.4012	3.6E-02	C₅H₉NO₃
Unknown 6	ANPpos	733.544	7.69	1.2E-02	−1.45	0.3817	4.3E-02	0.4987	1.5E-02	N/A

^aMETLIN database search yielded a variety of possibilities for Unknown 5, e.g. aminolevulinic acid and cis/trans-4-hydroxyproline, which could be excluded by mismatching retention time to the in-house database entry. Formula matching of this metabolite is provided.
A Pearson correlation analysis was conducted with a two tailed p-value estimation.

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