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. 2022 Mar 25;13:809086. doi: 10.3389/fmicb.2022.809086

TABLE 2.

Identified significantly different metabolites from Enterotoxigenic Escherichia coli (ETEC) and ETEC + Sodium humate (HNa) groups under positive and negative ion modela.

Adduct Metabolites VIP FC P-value m/z rt (s)
(M + H − H2O)+ 1-Stearoyl-rac-glycerol 1.18 0.51 0.004 341.30 191.95
(M + CH3COO + 2H)+ 2-Ethoxyethanol 1.18 0.78 0.008 151.09 65.48
(M + H)+ Trp-Arg 1.01 0.57 0.03 361.19 339.80
(M + H)+ Erucamide 1.69 1.44 0.03 338.34 34.44
(M + H − H2O)+ Val-Asp 2.63 0.25 0.03 215.10 342.13
(M + NH4)+ alpha-Linolenic acid 2.95 0.84 0.0 296.25 36.71
(M + H)+ Deoxycytidine 3.19 2.29 0.042 228.0 205.20
(M + H)+ Sphinganine 1.51 0.58 0.044 302.30 109.24
(M + CH3COO)− Chenodeoxycholate 3.14 0.60 0.02 451.30 154.48
(M − H)− Propionic acid 5.76 0.47 0.03 73.02 383.06
(M − H)− Succinate 8.86 0.47 0.03 117.01 383.06
(M − H)− Gentisic acid 1.68 1.72 0.03 153.01 70.10
(M − H)− 3-Phenylpropanoic acid 6.68 1.94 0.03 149.06 98.09
(M − H)− 17-glucosiduronate 1.25 0.43 0.03 447.20 127.10
(M − H)− Isobutyric acid 11.46 1.81 0.04 87.04 122.35

Different metabolites identified by positive and negative ion mode (multi-dimensional statistical analysis of VIP > 1 and univariate statistical analysis of P-value < 0.05), the ETEC + HNa group versus the ETEC group.

aAdduct, adduct ion information of the compound; VIP, variable importance in the projection; FC, Fold change; m/z, mass-to-charge ratio; Rt(s), retention time.