Identification and Characterization of Key Chemical Constituents in Processed Gastrodia elata Using UHPLC-MS/MS and Chemometric Methods

Table 1

Key marker compounds in G. elata raw material, steamed and dried, and GEP5D samples.

Compound	Retention time (min)	Mass	Peak area			Name	Fragmentation ions
			Raw	S&D	GEP5D
1	9.37	574.1700	13383	3303	4978	S-(Gastrodin)-glutathione	412.1168, 306.0758, 272.0877, 254.0773, 210.0867
2	11.80	727.2089	7734	2661	2835	Isomer of parishin B	441.1028, 397.1129, 369.1189, 161.0447
3	12.02	727.2082	6542	1301	2613	Isomer of parishin B	441.1017, 423.0917, 399.0924, 397.1118, 369.1176, 161.0438
4	12.20	889.2631	5478	4481	3680	Isomer of parishin H	727.2081, 441.1037, 423.0923, 397.1158, 323.0960, 263.0748, 161.0435
5	12.32	412.1171	1055	1530	997	S-(4-Hydroxybenzyl)-glutathione	306.0733, 272.0825, 254.0826, 210.0857
6	12.57	889.2625	765	221	2663	Isomer of parishin V	727.2065, 423.0901, 323.0976, 263.0471, 161.0442
7	12.64	727.2089	111564	95596	92543	Parishin B	441.1028, 423.0928, 397.1134, 263.0757, 161.0419
8	12.78	889.2626	6887	9974	6442	Parshin V	727.2051, 423.0912, 397.1130, 323.0970, 161.0440
9	12.92	889.2624	0	0	917	Pentose derivative of isomer of parishin H	757.2218, 423.0952, 397.1127, 323.0952, 161.0444
10	13.01	727.2086	54794	50144	44433	Parishin C	441.1022, 423.0923, 397.1125, 369.1179, 161.0443
11	13.12	889.2621	1681	3005	1731	Parishin I	727.2092, 423.0890, 323.0974, 161.0443
12	13.51	473.1298	1874	307	402	Demthyl derivative of parishin N	441.1042, 423.0969, 397.1045, 169.0110
13	13.69	1157.3590	5981	1816	1638	Isomer of parishin F	889.2646, 727.2120, 423.0960, 323.1023, 161.0433
14	13.77	1157.3589	0	216	562	Isomer of parishin F	889.2661, 727.2122, 423.0913, 323.0916, 161.0523
15	13.86	473.1290	6617	1399	2181	Demthyl derivative of parishin N	423.0891, 397.1096, 169.0130
16	13.90	1319.4051	0	14	590	Derivative obtained by adding two glucose to parishin A	1051.3173, 889.2628, 727.2076, 473.1293, 423.0913, 397.1132, 169.0135
17	14.13	1157.3595	10521	6599	7572	Parishin F	889.2638, 727.2078, 423.0935, 323.0958, 161.0448
18	14.19	995.3057	117584	89968	87400	Parishin A	727.2077, 441.1008, 423.0918, 397.1118, 369.1174, 161.0446
19	14.21	727.2092	25233	16420	17690	Isomer of parishin B	441.1025, 423.0920, 397.1129, 369.1180, 161.0401
20	14.37	1025.3162	7106	4154	3181	Parishin L	889.2578, 757.2204, 727.2094, 423.0911, 369.1133, 161.0443