Qushi Huoxue ointment ameliorates metabolic associated steatotic liver disease through autophagy activation and ferroptosis inhibition

Table 2 Qualitative results of blood ingredients in Qushi Huoxue ointment

No.	Compound	RT/minute	Formula	Reference ion	m/z	Annotation MW	Calc. MW	Mass error (ppm)	Sort
1	L(-)-carnitine[24]	1.253	C7H15NO3	[M+H]+1	162.11258	161.10519	161.10532	0.00013	Amino acid derivatives
2	Emodin[25]	16.835	C15H10O5	[M+H]+1	271.06018	270.05282	270.0529	0.00007	Anthraquinones
3	Trigonelline[26]	1.402	C7H7NO2	[M+H]+1	138.05501	137.04768	137.04773	0.00005	Quaternary ammonium alkaloid
4	1-heptanesulfonic acid	21.624	C7H16O3S	[M-H]-1	179.07375	180.08201	180.08102	-0.00099	Alkylsulfonic acid
5	18-β-glycyrrhetinic acid[27]	21.286	C30H46O4	[M-H]-1	469.33200	470.33961	470.33928	-0.00033	Triterpenes
6	Cyclo (leucylprolyl)[28]	11.266	C11H18N2O2	[M+H]+1	211.14432	210.13683	210.13704	0.00021	Diketopiperazines
7	DL-homoserine[29]	1.307	C4H9NO3	[M+H]+1	120.06588	119.05824	119.0586	0.00036	Non-proteinogenic amino acids
8	2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid[30]	8.669	C12H12N2O2	[M+H]+1	217.09747	216.08988	216.0902	0.00032	β-carboline alkaloids
9	L-histidine[31]	1.183	C6H9N3O2	[M-H]-1	154.06104	155.06948	155.06831	-0.00116	Proteinogenic amino acids
10	cis-resveratrol[32]	11.887	C14H12O3	[M+H]+1	229.08614	228.07864	228.07886	0.00022	Stilbenes
11	Glycitein[33]	15.457	C16H12O5	[M+H]+1	285.07593	284.06847	284.0686	0.00012	Isoflavones
12	4-oxoproline[34]	2.715	C5H7NO3	[M-H]-1	128.03416	129.04259	129.04144	-0.00115	Amino acid
13	N5-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-1,2,4-triazole-3,5-diamine	6.652	C8H13N7	[M+H]+1	208.13333	207.12324	207.12605	0.00281	Heterocyclic compounds
14	2-phenoxypropanoic acid	9.34	C9H10O3	[M-H]-1	165.05479	166.06299	166.06207	-0.00092	Carboxylic acids
15	Caffeic acid[35]	18.577	C9H8O4	[M+H]+1	149.02333	180.04226	148.01604	-32.02622	Phenolic acid
16	(3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-trimethyl-2,5-dioxo-2H,3H,9aH-azuleno[6,5-b]yl(2Z)-2-methylbut-2-enoate]	18.415	C20H26O5	[M+H]+1	369.17236	346.17802	368.16509	21.98706	Esters
17	RKK	20.151	C18H38N8O4	[M+H]+1	431.31555	430.3016	430.30821	0.00661	Amino acids
18	(3R,4S)-4,6,8-Trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1H-isochromen-1-one	10.277	C11H12O6	[M-H]-1	239.05597	240.06339	240.06325	-0.00014	Isocoumarin derivatives
19	Apigetrin[36]	12.243	C21H20O10	[M-H]-1	431.09830	432.10565	432.10569	0.00004	Flavonoids