Anwei decoction alleviates chronic atrophic gastritis by modulating the gut microbiota-metabolite axis and NLRP3 inflammasome activity

Table 1 Results of serum composition identification of Anwei decoction

No	Compound	Reference lon	Formula	RT/m	m/z (actual)	m/z (theoretical)	Annotation MW	Calculate MW	δ/ppm	Sort
1	Isoliquiritigenin[1]	[M+H]+1	C15H12O4	12.241	257.08105	257.08054	256.07356	256.07378	0.00022	Flavonoids
2	Methyl succinic acid[2]	[M-H]-1	C5H8O4	6.224	131.0338	131.03375	132.04226	132.04107	-0.00118	Dicarboxylic acid
3	4-oxoproline[3]	[M-H]-1	C5H7NO3	2.761	128.03412	128.03406	129.04259	129.0414	-0.0012	Amino acids
4	Caffeic acid[4]	[M+H]+1	C9H8O4	18.562	149.02344	179.03419	180.04226	148.01615	-32.02611	Phenolic acids
5	Citric acid[5]	[M-H]-1	C6H8O7	3.046	191.01913	191.01883	192.027	192.02641	-0.00059	Tricarboxylic acids
6	2-phenoxypropanoic acid	[M+FA-H]-1	C9H10O3	9.34	165.05478	165.05458	166.06299	120.05657	-46.00642	Carboxylic acids
7	Nor-9-carboxy-δ9-THC[6]	[M+H-H2O]+1	C21H28O4	14.998	345.20596	345.20358	344.19876	362.20915	18.01039	Cannabinoids
8	(2E)-4-hydroxy-3,7-dimethyl-2,6-octadien-1-ylbeta-D-glucopyranoside	[M-H]-1	C16H28O7	19.81	377.18655	377.18167	332.1835	378.19383	46.01033	Glycoside
9	1-[2-(1,3-Benzodioxol-5-yl)-3-methyl-1-benzofuran-5-yl]-1,2-propanediol	[M+H-H2O]+1	C19H18O5	16.836	309.11191	309.11212	368.10962	368.1121	0.00248	Alcohols
10	Ethyl palmitoleate	[M+H]+1	C18H34O2	20.671	283.26306	283.2634	282.25588	282.25578	-0.0001	Aliphatic
11	Gibberellin A7[7]	[M-H]-1	C19H22O5	15.936	329.13959	329.13947	330.14672	330.14686	0.00014	Diterpenoids
12	(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl] oxolan-2-yl] propanoic acid	[M+H]+1	C11H20O4	13.463	217.14366	217.14362	216.13616	216.13638	0.00023	Carboxylic acids
13	Avocadyne 1-acetate[8]	[M+H]+1	C19H34O4	19.822	309.24216	277.21643	326.24571	308.23502	-18.01068	Aliphatic
14	4-{[(3S)-3-{5-[4-(dimethyl amino) phenyl]-1,3,4-oxadiazol-2-yl}-1-pyrrolidinyl] methyl} benzoic acid	[M-H]-1	C22H24N4O3	17.359	391.17963	391.17639	392.18484	392.1869	0.00206	Heteroaromatic
15	6-acetylmorphine[9]	[M+H]+1	C19H21NO4	8.764	328.15442	328.15405	327.14706	327.14714	0.00008	Morphinans
16	Methyl 3-(methylamino)-2-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl] but-2-enoate	[M-H]-1	C10H13N3O3S	17.614	357.10123	357.10373	255.06776	358.1085	103.04074	Esters
17	4-(dimethylamino)-N-{[(2R,4S,5S)-5-(1-piperidinylmethyl)-1-azabicyclo[2.2.2] oct-2-yl]methyl} benzamide	[M+Na]+1	C23H36N4O	22.502	367.28183	367.28198	384.28891	344.29257	-39.99635	Amides
18	2-hydroxymyristic acid	[M-H]-1	C14H28O3	19.672	243.1964	243.19646	244.20384	244.20367	-0.00017	Long-chain fatty
19	4-(1-adamantyl)-2-methyl-1,3-thiazole	[M+H]+1	C14H19NS	8.375	234.13382	234.1333	233.12382	233.12635	0.00253	Thiazoles

The data in the third column of the table represents the ion mode of the compound. Determining the ion mode not only improves the accuracy and reliability of identification, but also provides adduct ion information, assists in molecular formula deduction, and obtains more comprehensive secondary mass spectrometry fragmentation information. MW: Molecular weight.