Chemical components and protective effects of Atractylodes japonica Koidz. ex Kitam against acetic acid-induced gastric ulcer in rats

Table 2 Identification of chemical constituents of Atractylodes japonica by UPLC Q-Exactive Orbitrap MS

No.	tR/min	Compound	Molecular formula	Adduct ion	Theoretical (m/z)	Measured (m/z)	Error (ppm)
1	0.83	Asparagine	C4H8N2O3	[M+H]+	133.06076	133.06033	-3.297
2	0.85	Sucrose	C12H22O11	[M−H+HCOOH]−	387.11441	387.11374	-1.741
3	0.86	Manninotriose	C18H32O16	[M−H]−	503.16092	503.16175	-1.665
4	0.85	Valine	C5H11NO2	[M+H]+	118.08625	118.08591	-2.923
5	0.87	5-hydroxymethylfurfural	C6H6O3	[M+H]+	127.03897	127.03864	-2.602
6	0.91	Niacinamide	C6H6N2O	[M+H]+	123.05529	123.05509	-1.620
7	1.19	Pyroglutamic acid	C5H7NO3	[M+H]+	130.04986	130.04953	-2.612
8	1.25	Tyrosine	C9H11NO3	[M+H]+	182.08116	182.08063	-2.964
9	1.27	Citric acid	C6H8O7	[M−H]−	191.01972	191.01880	-4.847
10	1.35	Isoleucine	C6H13NO2	[M+H]+	132.10190	132.10153	-2.840
11	1.46	Leucine	C6H13NO2	[M+H]+	132.10190	132.10153	-2.840
12	2.10	Phenylalanine	C9H11NO2	[M+H]+	166.08625	166.08577	-2.921
13	2.25	Neochlorogenic acid	C16H18O9	[M−H]−	353.08781	353.08783	0.050
14	2.44	Chlorogenic acid	C16H18O9	[M−H]−	353.08781	353.08752	-0.808
15	2.44	Atractyloside A	C21H36O10	[M−H+HCOOH]−	493.22905	493.22864	-0.831
16	2.80	Cryptochlorogenic acid	C16H18O9	[M−H]−	353.08781	353.08728	-1.488
17	2.86	Caffeic acid	C9H8O4	[M+H]+	181.04953	181.04890	-3.509
18	2.86	7-hydroxycoumarin	C9H6O3	[M+H]+	163.03897	163.03841	-3.439
19	3.17	Catechin	C15H14O6	[M−H]−	289.07176	289.07172	-0.143
20	3.19	Isochlorogenic acid B	C25H24O12	[M−H]−	515.11950	515.11890	-1.163
21	3.27	Isoorientin	C21H20O11	[M+H]+	449.10784	449.10669	-2.556
22	3.51	Rutin	C27H30O16	[M−H]−	609.14610	609.14630	0.315
23	3.52	Hyperoside	C21H20O12	[M−H]−	463.08819	463.08826	0.131
24	3.52	Quercetin	C15H10O7	[M+H]+	303.04992	303.04895	-3.528
25	3.68	Kaempferol-3-O- rutinoside	C27H30O15	[M−H]−	593.15119	593.15125	0.096
26	3.77	Isorhamnetin 3-O-neohesperidin	C28H32O16	[M−H]−	623.16176	623.16107	-1.104
27	3.78	Narcissoside	C28H32O16	[M+H]+	625.17631	625.17371	-4.161
28	3.78	Isorhamnetin	C16H12O7	[M+H]+	317.06558	317.06421	-4.318
29	3.83	Vanillin	C8H8O3	[M+H]+	153.05462	153.05406	-3.663
30	3.86	Isochlorogenic acid A	C25H24O12	[M−H]−	515.11950	515.11914	-0.697
31	3.96	Isochlorogenic acid C	C25H24O12	[M−H]−	515.11950	515.11896	-1.047
32	6.40	Palmitic acid	C16H32O2	[M+NH4]+	274.27406	274.27292	-4.141
33	6.47	Cinnamyl alcohol	C9H10O	[M+H]+	135.08044	135.07999	-3.343
34	6.51	Curcumenol	C15H22O2	[M+H]+	235.16925	235.16826	-4.237
35	7.34	Atractylenolide III	C15H20O3	[M+H]+	249.14852	249.14752	-4.018
36	7.62	Atractylenolactam	C15H19NO	[M+H]+	230.15394	230.15340	-2.350
37	9.24	3β-hydroxyatractylone	C15H20O2	[M+H]+	233.15361	233.15279	-3.502
38	9.55	Atractylenolide II	C15H20O2	[M+H]+	233.15361	233.15274	-3.716
39	12.00	Atractylenolide VI	C15H22	[M+H]+	203.17943	203.17889	-2.644
40	12.01	α-linolenic acid	C18H30O2	[M+H]+	279.23185	279.23108	-2.782
41	12.14	3β-acetoxyatracty	C17H22O3	[M+H]+	275.16417	275.16333	-3.057
42	12.38	Atractylenolide I	C15H18O2	[M+H]+	231.13796	231.13721	-3.229
43	12.95	Atractylenolide V	C15H20O4	[M+H]+	265.14343	265.14258	-3.227
44	13.42	(6E,12E)-tetradecadiene-8,10-diyne-1,3-diol diacetate	C18H22O4	[M+H]+	303.15908	303.15805	-3.416
45	13.97	β-elemene	C15H24	[M+H]+	205.19508	205.19443	-3.155
46	14.14	Eudesma-4(15),7(11)-dien-8-one	C15H22O	[M+H]+	219.17434	219.17346	-4.024
47	20.55	Atractylon	C15H20O	[M+H]+	217.15869	217.15800	-3.186
48	21.83	Biatractylolide	C30H38O4	[M+H]+	463.28428	463.28290	-2.992