Serum metabolic profiling identified a distinct metabolic signature in patients with idiopathic pulmonary fibrosis – a potential biomarker role for LysoPC

Table 3 LC-MS characteristics (retention time, m/z ratio) and fold changes of the metabolic features isolated by multivariate and/or univariate analysis (FDR ≤ 0.05) in the pilot and validation study

Study	Compound ID	Potential ID [adduct]	Ionisation	m/z	RT (min)	Fold change IPF/Healthy	FDR (Univariate)	Multivariate
Pilot Validation	5.94_332.2423m/z 5.94_332.2419m/z	3-hydroxydecanoyl carnitine [M+H]⁺	ESI+	332.2423 332.2419	5.94 5.94	4.0 25.9	0.047 0.003	no no
Pilot Validation	9.59_511.3269n 9.59_511.3259n	LysoPC [M+H]⁺, [M+Na]⁺, [M+K]⁺	ESI+	512.3342 512.3332	9.59 9.59	1.9 1.9	0.037 0.008	yes yes
Pilot Validation	9.59_496.3026m/z 9.58_496.3029m/z	LysoPC [M-CH₃]^-	ESI-	496.3026 496.3029	9.59 9.59	1.6 2.0	0.11 4.87 10⁻⁴	yes yes
Pilot Validation	9.59_556.3248m/z 9.59_556.3245m/z	LysoPC [M+CHOO]^-	ESI-	556.3248 556.3245	9.59 9.59	1.9 2.1	0.048 5.19 10⁻⁴	yes yes
Pilot Validation	2.43_267.0728m/z 2.38_267.0737m/z	Inosine [M-H]^-	ESI-	267.0728 267.0737	2.43 2.38	1.8 0.7	0.22 0.044	yes yes
Pilot Validation	8.77_370.1807n 8.38_369.1738m/z	Androsterone sulfate [M-H]⁻	ESI-	369.1734 369.1738	8.77 8.38	0.4 0.3	0.22 0.03	yes yes
Pilot Validation	0.88_195.8107m/z 0.65_195.8115m/z		ESI-	195.8107 195.8115	0.88 0.65	0.8 0.9	0.25 0.02	yes yes
Pilot Validation	0.88_197.8076m/z 0.65_197.8090m/z		ESI-	197.8076 197.8090	0.88 0.65	0.8 0.9	0.23 0.02	yes yes
Pilot Validation	0.88_199.8045m/z 0.65_199.8057m/z		ESI-	199.8045 199.8057	0.88 0.65	0.8 0.9	0.24 0.03	yes yes
Pilot Validation	8.57_371.1879m/z 8.57_371.1879m/z		ESI-	371.1879 371.1889	8.57 8.60	0.3 0.2	0.24 0.04	yes no

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