. 2020 Mar 5;11:221. doi: 10.3389/fphar.2020.00221

TABLE 1.

21 identified potential biomarkers regulated by Jin-Mai-Tong (JMT) decoction.

No.	Retention time (min)	Precursor ion form	Measured mass (Da)	Predicted mass (Da)	Mass Error (ppm)	Identification	Molecular formula	Trend in STZ^a	Trend in STZ + JMT(H)^b	Trend in STZ + JMT(L)^b
1	0.51	[M + H]⁺	103.0392	103.0395	–2.91	2-Ketobutyric acid	C₄H₆O₃	↑***	↓***	↓**
2	0.51	[M + H]⁺	181.0716	181.0726	–5.52	Paraxanthine	C₇H₈N₄O₂	↑**	↓***	↓*
3	0.52	[M-H] ^–	233.0941	233.0960	–8.15	Leucyl-Cysteine	C₉H₁₈N₂O₃S	↑***	↓***	ns
4	0.53	[M + H]⁺	383.1162	383.1131	8.09	Artonin K	C₂₁H₁₈O₇	↑**	↓***	↓*
5	0.56	[M + H]⁺	228.1003	228.0984	8.33	Deoxycytidine	C₉H₁₃N₃O₄	↑*	↓*	↓*
6	0.59	[M + H]⁺	133.0129	133.0137	–6.01	Oxalacetic acid	C₄H₄O₅	↑***	↓**	↓**
7	8.68	[M + H]⁺	426.2027	426.2029	–0.47	Tyr-Pro-Phe	C₂₃H₂₇N₃O₅	↓*	↑**	ns
8	9.37	[M-H] ^–	516.3083	516.3090	–1.36	LysoPC (18:3)	C₂₆H₄₈NO₇P	↑***	↓***	↓*
9	9.92	[M + H]⁺	478.2934	478.2934	0.00	LysoPE (0:0/18:2)	C₂₃H₄₄NO₇P	↑***	↓***	↓**
10	9.92	[M + H]⁺	435.2520	435.2512	1.84	LPA(0:0/18:2)	C₂₁H₃₉O₇P	↑***	↓***	↓*
11	9.96	[M-H] −	478.2772	478.2805	–6.90	Delcorine	C26H41NO7	↑**	↓***	ns
12	9.97	[M + H]⁺	526.2971	526.2934	7.03	LysoPE (0:0/22:6)	C₂₇H₄₄NO₇P	↑**	↓***	↓***
13	10.40	[M + H]⁺	398.3255	398.3270	–3.77	Hexadec-2-enoyl carnitine	C₂₃H₄₃NO₄	↑**	↓***	↓**
14	10.40	[M + H]⁺	454.2922	454.2934	–2.64	LysoPE (0:0/16:0)	C₂₁H₄₄NO₇P	↑***	↓***	↓*
15	10.84	[M-H]^–	432.3100	432.3114	–3.24	Lithocholic acid glycine conjugate	C₂₆H₄₃NO₄	↑**	↓**	ns
16	10.90	[M + H]⁺	294.1562	294.1553	3.06	N-(1-Deoxy-1-fructosyl) leucine	C₁₂H₂₃NO₇	↑**	↓**	↓***
17	11.71	[M + H]⁺	428.3726	428.3740	–3.27	Stearoylcarnitine	C₂₅H₄₉NO₄	↑**	↓***	ns
18	12.88	[M + H]⁺	261.1326	261.1338	–4.60	Glycerol tripropanoate	C₁₂H₂₀O₆	↑**	↓*	↓***
19	12.90	[M + H]⁺	463.2680	463.2696	–3.45	Retinyl beta-glucuronide	C₂₆H₃₈O₇	↑***	↓*	↓**
20	12.98	[M + H]⁺	832.5083	832.5129	–5.53	PS (18:2/22:6)	C₄₆H₇₄NO₁₀P	↑**	↓**	↓***
21	14.53	[M + H]⁺	285.2771	285.2794	–8.06	Hexyl dodecanoate	C₁₈H₃₆O₂	↑**	↓***	↓*

↑, upregulated; ↓, downregulated; *P < 0.05; **P < 0.01; ***P < 0.005; ns, no significant difference with P > 0.05. ^aCompared with the control group. ^bCompared with the STZ model group.