Table 1.

Potential biomarker information of liver injury.

HMDB ID	Compound name	RT/min	VIP	Formula	ms/ms	Error/ppm	Ion mode	MG ↑↓ vs. CG
0001170	Lathosterol	14.462	5.74	C27H46O	428.38656[M + ACN + H]+; 410.37599[M + ACN + H−H2O]+; 136.10994[M + ACN + H−H2O − C20H34]+ 122.09429[M + ACN + H−H2O − C20H34−CH2]+	5	+	↓
0000207	Oleic acid	13.554	5.67	C18H34O2	281.24787[M − H]−; 263.2373[M − H−H2O]−; 111.11719[M − H−C9H18−CO2]−; 97.06069[M − H−C9H18−CO2−CH2]−	3	−	↓
0000054	Bilirubin	7.549	4.55	C33H36N4O6	619.28905 [M + Cl]−; 321.15731[M + Cl − C17H18N2O3]−; 335.17296[M + Cl − C16H16N2O3]−;	0	−	↓
0000673	Linoleic acid	15.746	3.64	C18H32O2	325.23808[M + FA − H]−; 307.22751[M + FA − H−H2O]−; 255.15983[M + FA − H−C5H10]−; 105.01898[M + FA − H−C16H28]−;	1	−	↓
0000619	Cholic acid	4.309	3.61	C24H40O5	453.28552[M + FA − H]−; 435.27495[M + FA − H−H2O]−; 389.26947[M + FA − H−H2O − CH2O2]−	1	−	↑
0001043	Arachidonic acid	15.265	3.37	C20H32O2	303.23221[M − H]−; 259.24237[M − H−CO2]−; 149.09644[M − H−C10H18O]−	2	−	↑
0000518	Chenodeoxycholic acid	4.663	3.01	C24H40O4	437.29046[M + FA − H]−; 419.27989[M + FA − H−H2O]−; 401.26933[M + FA − H − 2H2O]−; 393.30063[M + FA − H−CO2]−;	1	−	↑
0000220	Palmitic acid	12.305	2.63	C16H32O2	301.23803[M + FA − H]−; 283.22746[M + FA − H−H2O]−; 159.06588[M + FA − H−C10H22]−; 131.03458[M + FA − H−C12H26]−	1	−	↓

Note: “↑” represents the up-regulation; “↓”represents the down-regulation. ‘FA’ is an abbreviation for formic acid.