Information of 24 potential metabolic markers for Platycodonis radix from different growing regions.

No.	Compound ID	VIP value	Adducts	Formula	Mass error/ppm	MS/MS information	Identify	Classification
1a	11.82_1208.5822n	7.80	[M − H]−	C57H92O27	−1.12	665.39, 541.18, 469.16, 409.16	Polygalacin D	Triterpenoid saponins
2a	10.93_1385.6227m/z	7.21	[M − H]−	C63H102O33	0.56	843.44, 541.18, 519.33, 469.16, 409.16	Platycodin D2	Triterpenoid saponins
3	3.26_1314.4321n	6.53	[M + HCOO]−	C48H82O41	−1.47	972.32, 827.27, 503.16, 341.11, 179.06	1,1,1,1,1,1-Kestooctaose	Saccharides
4	22.99_433.2363m/z	5.59	[M − H]−	C21H39O7P	1.01	279.23, 171.01, 152.99, 96.97, 78.96	LPA 18:2	Phospholipids
5	1.16_666.2214n	5.53	[M + HCOO]−	C24H42O21	−0.82	485.15, 341.11, 323.10, 179.06	Nystose	Saccharides
6	2.16_873.2720m/z	5.51	[M + HCOO]−	C30H52O26	−1.63	647.20, 503.16, 485.15, 341.11, 323.10, 179.06	1-Fructofuranosylnystose	Saccharides
7	3.32_990.3266n	5.07	[M + HCOO]−	C36H62O31	−1.68	809.26, 647.20, 485.15, 341.11, 323.10, 179.06	1,1,1,1-Kestohexaose	Saccharides
8	3.32_1152.3793n	4.57	[M + HCOO]−	C42H72O36	−1.41	971.31, 647.20, 342.11, 179.06	1,1,1,1,1-Kestoheptaose	Saccharides
9a	10.34_1137.5325m/z	4.40	[M + HCOO]−	C52H84O24	−0.35	681.39, 663.37, 519.33, 501.32, 457.33	Deapioplatycodin D	Triterpenoid saponins
10a	4.55_353.0874m/z	4.39	[M − H]−	C16H18O9	−0.82	191.05624, 173.05, 161.02485, 135.04542	Chlorogenic acid	Organic acids
11	15.62_329.2332m/z	4.26	[M − H]−	C18H34O5	−0.19	311.22, 229.14, 211.13, 193.12, 183.14	Tianshic acid	Organic acids
12	22.65_295.2279m/z	4.24	[M − H]−	C18H32O3	0.78	277.22, 233.23, 205.12, 195.14, 125.10	Coronaric acid	Organic acids
13	11.44_1370.6350n	4.22	[M − H]−	C63H102O32	−1.07	827.44, 665.39, 541.18, 503.34, 469.16, 441.34	Polygalacin D2	Triterpenoid saponins
14	22.81_540.3309m/z	4.09	[M + HCOO]−	C24H50NO7P	0.98	480.31, 255.23, 242.08, 224.07	LPC 16:0/0:0	Phospholipids
15	22.70_452.2782m/z	4.08	[M − H]−	C21H44NO7P	1.22	255.23312, 214.05, 196.03830	LPE 16:0/0:0	Phospholipids
16	10.83_1134.5450n	3.88	[M + HCOO]−	C54H86O25	0.15	1091.53, 983.48, 681.39, 663.37, 501.32	Platycoside C	Triterpenoid saponins
17	22.26_564.3309m/z	3.81	[M + HCOO]−	C26H50NO7P	0.56	504.31, 279.23, 242.08, 224.07	LPC 18:2/0:0	Phospholipids
18	10.20_1253.5800m/z	3.77	[M − H]−	C58H94O29	0.01	843.44, 825.43, 663.37562; 519.33, 471.31	Deapioplatycodin D2	Triterpenoid saponins
19a	6.70_396.1784n	3.76	[M + HCOO]−	C20H28O8	0.7	305.12, 215.11, 185.10, 159.08, 143.07, 89.04	Lobetyolin	Polyacetylenes
20	22.17_476.2785m/z	3.60	[M − H]−	C23H44NO7P	1.06	279.23, 214.05, 196.03810	LPE 18:2/0:0	Phospholipids
21	13.37_1222.5611n	3.37	[M − H]−	C57H90O28	−0.43	1131.52, 635.38, 541.18, 469.16, 409.13	16-Oxo-platycodin D	Triterpenoid saponins
22a	6.18_558.2313n	3.32	[M + HCOO]−	C26H38O13	0.08	467.18, 323.10, 221.07, 179.06, 161.05	Lobetyolinin	Polyacetylenes
23	11.21_1105.5065m/z	3.24	[M − H]−	C52H82O25	−0.17	995.45, 717.35, 695.37, 633.36, 485.29, 423.29	Platyconic acid C	Triterpenoid saponins
24a	7.69_1254.5874n	3.11	[M + HCOO]−	C58H94O29	−0.85	843.44, 681.38; 519.33, 471.31, 409.13	Deapioplatycodin D3	Triterpenoid saponins

^aIdentified with authentic standards.