A Novel Method for Evaluating the Cardiotoxicity of Traditional Chinese Medicine Compatibility by Using Support Vector Machine Model Combined with Metabonomics

Table 2

Ion information of early cardiotoxicity biomarkers [1].

(min)	Obsd	Calcd	Error (ppm)	Metabolite	Formula	MS/MS
0.76	162.1123	162.1130	4.32	L-carnitine	C7H15NO3	162.1, 103.0
4.19	190.0863
4.19	172.0755
4.19	130.065
4.67	347.2214	347.2222	2.30	19-Hydroxydeoxycorticosterone	C21H30O4	385.3, 369.2, 347.2, 329.2, 109.1, 97.1
5.45	432.3107
5.87	299.2002
7.30	468.3467
7.85	548.3715	548.3716	0.18	LPC (20:2)	C28H54NO7P	570.3, 548.3, 184.1, 104.1
6.48	490.2913	490.2910	−0.61	LPC (14:0)	C22H46NO7PNa	490.2, 468.3, 184.1, 104.1