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. 2014 Mar 11;9(3):e90416. doi: 10.1371/journal.pone.0090416

Table 4. Potential biomarkers of control group and treated group based on serum metabolite profiles detected by UPLC/MS.

tR(min) m/z(Da) Scan mode Quasi-molecular ion Identification Change trend compared with the control Fold change compared with the control
3.5 119.7486 + [M+H−HCOOH]+ phenylalanine 1.18
4.3 146.0154 + [M−NH3−HCOOH+H]+ tryptophan 1.71
188.0432 + [M−NH3+H]+
13.7 357.4052 + [M+H−2H20]+ deoxycholic acid 4.02
437.421 [M+HCOO]
14.4 407.1061 [M−H] cholic acid 2.24
815.1432 [2M−H]
14.9 184.0064 + [H2O3PO−CH2CH2N(CH3)3]+ C18∶2 LPC 0.95
504.2021 [M−CH3]
520.2123 + [M+H]+
14.9 544.0104 + [M+H]+ C20∶4 LPC 0.86
15.3 184. 0064 + [H2O3PO−CH2CH2N(CH3)3]+ C0∶0/16∶0 LPC 0.45
496.2211 + [M+H]+
15.7 184. 0064 + [H2O3PO−CH2CH2N(CH3)3]+ C16∶0/0∶0 LPC 0.95
480.2026 [M−CH3]
496.2211 + [M+H]+
540.3012 [M+HCOO]
16.1 184.0064 [H2O3PO−CH2CH2N(CH3)3]+ C18∶1/0∶0 LPC 0.88
522.2001 + [M+H]+
506.1342 [M−CH3]
17.7 184.0064 + [H2O3PO−CH2CH2N(CH3)3]+ C18∶0/0∶0 LPC 0.85
508.2031 [M−CH3]
524.1346 + [M+H]+
568.4082 [M+HCOO]
19.3 783.1213 + [M+H]+ PC 18∶2/18∶2 0.61
20 759.1042 + [M+H]+ PC 16∶0/18∶2 3.03
20.4 781.1432 + [M+H]+ 36∶5 PC 3.75
20.7 809.972 + [M+H]+ 38∶6 PC 1.83
22 783.2213 + [M+H]+ 36∶4 PC 1.14

* The identified metabolites were confirmed by standards (see Supporting Information).