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. 2019 Jul 3;9(36):20796–20805. doi: 10.1039/c9ra03525g

Serum potential biomarkers related to ECB identified in positive and negative ion mode^a.

No.	R _t min	Determined mass	Calc mass	Actual mass	[M − H]⁻/[M + H]⁺	mDa	ppm	Proposed composition	Postulated identity	HMDB number	Trend
1	1.36	166.0869	166.0868	165.0789	[M + H]⁺	0.1	0.6	C₉H₁₁NO₂	l-Phenylalanine	HMDB00159	↑ΔΔ
2	1.73	203.0827	203.0821	204.0898	[M − H]-	0.6	3	C₁₁H₁₂N₂O₂	l-Tryptophan	HMDB00929	↓Δ
3	2.20	178.0504	178.0504	179.0582	[M − H]⁻	0	0	C₉H₉NO₃	Hippuric acid	HMDB00714	↑ΔΔ
4	4.79	514.293	514.2934	515.3011	[M − H]⁻	−0.4	−1	C₂₆H₄₆NO₇P	LysoPC (18:4(6Z,9Z,12Z,15Z))	HMDB10389	↓ΔΔ
5	5.51	373.2745	373.2473	372.2664	[M + H]⁺	0.2	0.5	C₂₄H₃₆O₃	Cervonoyl ethanolamide	HMDB13627	↓ΔΔ
6	7.25	494.3242	494.3247	493.3168	[M + H]⁺	−0.5	−1	C₂₄H₄₈NO₇P	LysoPC (16:1(9Z))	HMDB10383	↓ΔΔ
7	7.54	520.34	520.3403	519.3324	[M + H]⁺	−0.3	−0.6	C₂₆H₅₀NO₇P	LysoPC (18:2(9Z,12Z))	HMDB10386	↓Δ
8	7.71	500.279	500.2777	501.2855	[M − H]⁻	1.2	2.4	C₂₅H₄₄NO₇P	LysoPE (0:0/20:4 (8Z,11Z,14Z,17Z))	HMDB11488	↓ΔΔ
9	8.13	454.2939	454.2934	453.2855	[M + H]⁺	0.5	1.1	C₂₁H₄₄NO₇P	LysoPE (16:0/0:0)	HMDB11503	↓ΔΔ
10	8.23	496.3404	496.3403	495.3324	[M + H]⁺	0.1	0.2	C₂₄H₅₀NO₇P	LysoPC (16:0)	HMDB10382	↓ΔΔ
11	8.64	522.3563	522.356	521.3481	[M + H]⁺	0.3	0.6	C₂₆H₅₂NO₇P	LysoPC (18:1(9Z))	HMDB02815	↓Δ
12	8.99	319.2278	319.2273	320.2351	[M − H]⁻	0.5	1.6	C₂₀H₃₂O₃	5-HETE	HMDB11134	↑ΔΔ
13	9.61	482.0325	482.3247	481.3168	[M + H]⁺	0.3	0.6	C₂₃H₄₈NO₇P	LysoPC (15:0)	HMDB10381	↓ΔΔ

^a

↑↓ indicates that the level of the marker is increased or decreased in the urine of rats in the ECB model group; compared with the control group, ΔP < 0.05, ΔΔP < 0.01.