. 2025 Nov 11;16:1689778. doi: 10.3389/fmicb.2025.1689778

Table 2.

Biomarkers identified as potentially regulated by catalpol.

Proposed identity	Compound	VIP	Theoretical (m/z)	Experimental (m/z)	Error (ppm)	Formula	RT	Ion mode	MS/MS fragment ions	Change trend (Mod/B)	Change trend (HCat/Mod)
L-carnitine	Amino acid analogs	7.08124	162.11246	162.11198	−3.207	C₇H₁₅NO₃	1.503	[M + H]⁺	103 (42.25), 60 (31), 102 (14.90), 58 (19.77)	↑**	↓^##
N-Propyl-N-nitrosourea	Nitrosoureas	4.42921	132.07675	132.07642	−2.522	C₄H₉N₃O₂	1.52	[M + H]⁺	87 (5.63), 114 (2.88), 115 (1.39)	↑*	↓^#
Benserazide	Aromatics	4.89159	258.10844	258.10901	2.181	C₁₀H₁₅N₃O₅	1.522	[M + H]⁺	139 (100), 107 (41.31), 258 (6.48)	↑*	↓^#
Non-anoylcarnitine	Amino acid analogs	3.03583	302.23258	302.23423	−2.129	C₁₆H₃₁NO₄	1.614	[M + H]⁺	85 (100), 302 (56), 243 (8)	↑*	↓^#
3-Hydroxy-1-methylpyrrolidine-2,5-dione	Pyrrolidinones	2.14781	128.03531	128.03398	−1.871	C₅H7NO3	1.641	[M − H]⁻	58 (100), 42 (79.53), 83 (2.15)	↓**	↑
Lactic Acid	Carboxylic acids	5.756	88.01524	88.01291	−4.162	C₃H₆O₃	1.705	[M − H]⁻	89 (100), 71 (46.84), 43 (23.52)	↑**	↓^##
2-Acetylpyrazine	Pyrazines	1.32922	123.05528	123.05516	−1.052	C₆H₆N₂O	2.62	[M + H]⁺	96 (4.04), 78 (1.85), 53 (0.73)	↑**	↓^#
Isonicotinamide	Pyridines	2.03894	123.05528	123.0551	−1.539	C₆H₆N₂O	2.975	[M + H]⁺	80 (16.26), 78 (1.85), 106 (0.95), 53 (0.73)	↑***	↓^#
Tetraethylene glycol	Alcohols	2.4462	195.12270	195.12238	−1.641	C₈H₁₈O₅	3.578	[M + H]⁺	89 (100), 133 (17.67), 107 (2.52)	↑***	↓^##
Pivaloylcarnitine	Amino acid analogs	1.47363	246.16998	246.16846	4.715	C₁₂H₂₃NO₄	5.021	[M + H]⁺	85 (100), 187 (8.26)	↑*	↓^#
Pteridine	Aromatics	2.83258	131.03631	131.03496	−2.005	C₆H₄N₄	5.791	[M − H]⁻	131 (100), 77 (10.18), 104 (4.51)	↓***	↑^###
Metenamine	Triazinane	2.76181	141.11347	141.11304	−3.068	C₆H₁₂N₄	14.463	[M + H]⁺	141 (100), 85 (26.58), 98 (14.28), 71 (6.99),	↓**	↑
Docosahexaenoic Acid	Polyunsaturated fatty acids	7.10215	327.23295	327.23343	4.808	C₂₂H₃₂O₂	17.838	[M − H]⁻	59 (100), 121 (5.99), 139 (4.60)	↑**	↓
9-Octadecenamide	Amides	2.8295	282.27914	282.27744	−4.27	C₁₈H₃₅NO	18.148	[M + H]⁺	69 (100), 55 (63.31), 57 (54.70), 81 (32.10), 71 (30.60), 67 (19.48)	↑***	↓^#
Bovinic acid	Linoleic acids	1.3011	279.23295	279.23236	1.802	C₁₈H₃₂O₂	18.805	[M − H]⁻	279 (100), 280 (22.90)	↑**	↓^##
Stearic acid	Fatty acids	3.05534	283.26425	283.26379	2.235	C₁₈H₃₆O₂	18.805	[M − H]⁻	283 (100), 284 (20.98)	↑***	↓^###
trideca-6,8,10-trienoic acid	Fatty acids	1.79847	209.15360	209.15327	−2.899	C₁₃H₂₀O₂	19.011	[M + H]⁺	89 (100), 103 (17.11), 53 (2.43)	↑**	↓^###
13-Docosenamide	Amides	7.23946	338.34174	338.34085	−2.635	C₂₂H₄₃NO	19.562	[M + H]⁺	69 (100), 57 (77.64), 83 (61.17), 55 (68.67), 71 (37.89)	↑*	↓^###

^*p < 0.05, ^**p < 0.01, ^***p < 0.001, and ^****p < 0.0001, B vs. Mod; ^#p < 0.05, ^##p < 0.01, and ^###p < 0.001, HCat vs. Mod. The structures, molecular weights, and codes of differential metabolites were assigned according to the Human Metabolome Database.