Table 3. Endogenous serum metabolites correlate with liver damage indicators.
| RT | m/z | ION | ID metabolite | Confidencea | Fold change | SD | CDSd | ALTd | |||
|---|---|---|---|---|---|---|---|---|---|---|---|
|
|
|
||||||||||
| rhoe | P valuef | rhoe | P valuef | ||||||||
| 7.39 | 706.5384 | [M+H]+ | PC(14:0/16:0) | Standard | 2.0 | 0.16 | 0.71 | 2.2E-04 | 0.74 | 7.4E-05 | |
| 7.80 | 734.5724 | [M+H]+ | PC(16:0/16:0) | MS/MS | 1.9 | 0.06 | 0.79 | 1.5E-05 | 0.70 | 3.0E-04 | |
| 7.50 | 754.5466 | [M+Na]+ | PC(14:0/18:1) | MS/MS | 2.4 | 0.44 | 0.72 | 1.8E-04 | 0.77 | 2.5E-05 | |
| 7.87 | 760.5910 | [M+H] | PC(16:0/18:1) | Standard | 2.1 | 0.23 | 0.67 | 6.5E-04 | 0.73 | 1.3E-04 | |
| 7.38 | 744.5561 | [M+H]+ | PC(15:0/18:2) | MS/MS | 2.4 | 0.82 | 0.70 | 3.0E-04 | 0.72 | 1.6E-04 | |
| 7.58 | 758.5671 | [M+H] | PC(16:0/18:2) | Standard | 1.6 | 0.14 | 0.70 | 2.9E-04 | 0.73 | 1.3E-04 | |
| 7.77 | 772.5880 | [M+H]+ | PC(17:0/18:2) | MS/MS | 2.8 | 0.78 | 0.67 | 6.5E-04 | 0.76 | 4.1E-05 | |
| 7.97 | 786.6082 | [M+H] | PC(18:0/18:2) | Standard | 1.7 | 0.24 | 0.71 | 1.9E-04 | 0.81 | 4.7E-06 | |
| 7.15 | 754.5386 | [M+H] | PC(14:0/20:4) | MS/MS | 1.6 | 0.32 | 0.75 | 5.0E-05 | 0.70 | 3.0E-04 | |
| 7.71 | 766.5758 | [M+H]+ | PC(P-16:0/20:4) | MS/MS | 0.6 | 0.09 | −0.86 | 2.2E-07 | −0.70 | 3.2E-04 | |
| 7.79 | 794.6074 | [M+H] | PC(P-18:0/20:4) | MS/MS | 0.6 | 0.10 | −0.96 | 1.2E-12 | −0.80 | 6.5E-06 | |
| 7.92 | 810.6025 | [M+H] | PC(18:0/20:4) | Standard | 0.7 | 0.09 | −0.90 | 1.1E-08 | −0.74 | 7.4E-05 | |
| 7.25 | 780.5568 | [M+H] | PC(16:0/20:5) | MS/MS | 1.6 | 0.35 | 0.77 | 2.4E-05 | 0.85 | 4.7E-07 | |
| 7.98 | 796.6198 | [M+H]+ | PC(P-18:1/20:2) | Database | 0.4 | 0.19 | −0.78 | 1.7E-05 | −0.83 | 1.5E-06 | |
| 3.60 | 468.3075 | [M+H] | LysoPC(14:0/0:0) | Standard | 0.5 | 0.14 | −0.85 | 6.2E-07 | −0.71 | 2.4E-04 | |
| 3.83 | 482.3231 | [M+H] | LysoPC(15:0/0:0) | Standard | 0.5 | 0.16 | −0.87 | 1.3E-07 | −0.70 | 3.2E-04 | |
| 4.21 | 482.3602 | [M+H] | LysoPC(O-16:0/0:0) | MS/MS | 0.3 | 0.10 | −0.86 | 3.5E-07 | −0.74 | 9.0E-05 | |
| 4.09 | 496.3378 | [M+H] | LysoPC(16:0/0:0) | Standard | 0.4 | 0.10 | −0.88 | 5.8E-08 | −0.70 | 3.1E-04 | |
| 3.98 | 496.3406 | [M+H]+ | LysoPC(0:0/16:0) | MS/MSb | 0.3 | 0.11 | −0.87 | 1.3E-07 | −0.73 | 1.0E-04 | |
| 4.37 | 510.3551 | [M+H] | LysoPC(17:0/0:0) | Standard | 0.3 | 0.18 | −0.90 | 1.3E-08 | −0.78 | 1.5E-05 | |
| 4.80 | 510.3917 | [M+H] | LysoPC(O-18:0/0:0) | MS/MS | 0.3 | 0.11 | −0.96 | 6.9E-13 | −0.75 | 5.9E-05 | |
| 4.39 | 508.3749 | [M+H] | LysoPC(P-18:0/0:0) | MS/MS | 0.2 | 0.09 | −0.87 | 1.4E-07 | −0.74 | 8.7E-05 | |
| 4.66 | 524.3714 | [M+H] | LysoPC(18:0/0:0) | Standard | 0.3 | 0.08 | −0.83 | 1.4E-06 | −0.73 | 1.1E-04 | |
| 4.54 | 524.3718 | [M+H]+ | LysoPC(0:0/18:0) | MS/MS | 0.2 | 0.08 | −0.95 | 1.9E-11 | −0.69 | 4.2E-04 | |
| 4.96 | 538.3838 | [M+H] | LysoPC(19:0/0:0) | Standard | 0.3 | 0.15 | −0.88 | 7.5E-08 | −0.70 | 3.0E-04 | |
| 5.26 | 552.3993 | [M+H]+ | LysoPC(20:0/0:0) | Standard | 0.4 | 0.13 | −0.92 | 1.3E-09 | −0.63 | 1.7E-03 | |
| 5.86 | 580.4316 | [M+H] | LysoPC(22:0) | Database | 0.6 | 0.14 | −0.94 | 1.8E-10 | −0.69 | 3.7E-04 | |
| 6.46 | 608.4629 | [M+H] | LysoPC(24:0) | Database | 0.8 | 0.22 | −0.76 | 4.1E-05 | −0.38 | 8.4E-02 | |
| 4.81 | 550.3853 | [M+H] | LysoPC(20:1/0:0) | MS/MS | 0.2 | 0.07 | −0.96 | 4.7E-12 | −0.69 | 4.3E-04 | |
| 5.38 | 578.4156 | [M+H]+ | LysoPC(22:1/0:0) | MS/MSb | 0.4 | 0.13 | −0.92 | 2.3E-09 | −0.76 | 3.9E-05 | |
| 5.96 | 606.4473 | [M+H]+ | LysoPC(24:1/0:0) | MS/MSb | 0.4 | 0.12 | −0.96 | 1.2E-12 | −0.69 | 3.7E-04 | |
| 4.28 | 522.3562 | [M+H]+ | LysoPC(18:1/0:0) | Standard | 0.5 | 0.13 | −0.87 | 1.4E-07 | −0.67 | 6.3E-04 | |
| 4.44 | 548.3699 | [M+H] | LysoPC(20:2/0:0) | MS/MS | 0.4 | 0.12 | −0.82 | 2.4E-06 | −0.70 | 2.6E-04 | |
| 4.09 | 518.3254 | [M+H] | LysoPC(18:3) | Database | 0.3 | 0.11 | −0.85 | 5.0E-07 | −0.72 | 1.6E-04 | |
| 3.98 | 518.3219 | [M+H] | LysoPC(18:3) | Database | 0.3 | 0.13 | −0.85 | 4.0E-07 | −0.70 | 2.6E-04 | |
| 3.99 | 544.3407 | [M+H]+ | LysoPC(20:4/0:0) | MS/MS | 0.6 | 0.21 | −0.86 | 3.5E-07 | −0.67 | 6.0E-04 | |
| 7.61 | 716.5239 | [M+H]+ | PE(16:0/18:2) | MS/MS | 13.7 | 7.76 | 0.79 | 1.4E-05 | 0.76 | 4.2E-05 | |
| 4.25 | 438.2967 | [M+H] | LysoPE(P-16:0) | MS/MS | 0.3 | 0.15 | −0.82 | 2.4E-06 | −0.88 | 5.8E-08 | |
| 4.07 | 454.2922 | [M+H]+ | LysoPE(16:0) | MS/MS | 3.4 | 1.36 | 0.85 | 7.1E-07 | 0.79 | 1.2E-05 | |
| 4.52 | 482.3227 | [M+H]+ | LysoPE(18:0) | MS/MS | 3.1 | 1.47 | 0.76 | 4.1E-05 | 0.74 | 9.0E-05 | |
| 4.64 | 482.3237 | [M+H]+ | LysoPE(18:0) | MS/MS | 2.4 | 0.84 | 0.75 | 6.4E-05 | 0.82 | 3.8E-06 | |
| 3.93 | 478.2927 | [M+H]+ | LysoPE(18:2) | MS/MS | 5.7 | 1.35 | 0.79 | 1.4E-05 | 0.90 | 1.5E-08 | |
| 3.97 | 502.2924 | [M+H]+ | LysoPE(20:4) | MS/MS | 5.5 | 1.96 | 0.73 | 1.0E-04 | 0.89 | 3.3E-08 | |
| 3.97 | 526.2932 | [M+H] | LysoPE(22:6) | Database | 6.7 | 2.92 | 0.75 | 5.4E-05 | 0.78 | 2.1E-05 | |
| 6.50 | 675.5420 | [M+H] | SM(d18:1/14:0) | MS/MS | 0.6 | 0.14 | −0.86 | 3.8E-07 | −0.81 | 5.9E-06 | |
| 6.75 | 689.5582 | [M+H] | SM(d18:1/15:0) | MS/MS | 0.5 | 0.15 | −0.93 | 4.1E-10 | −0.83 | 1.7E-06 | |
| 6.99 | 703.5782 | [M+H]+ | SM (d18:1/16:0) | MS/MS | 0.5 | 0.11 | −0.92 | 1.3E-09 | −0.80 | 7.2E-06 | |
| 7.49 | 731.6091 | [M+H]+ | SM (d18:1/18:0) | MS/MS | 0.7 | 0.20 | −0.76 | 3.6E-05 | −0.68 | 4.7E-04 | |
| 0.87 | 150.0572 | [M+H]+ | Methionine | Standard | 3.8 | 1.79 | 0.85 | 4.4E-07 | 0.80 | 9.8E-06 | |
| 0.61 | 116.0698 | [M+H]+ | Proline | Standard | 3.6 | 1.99 | 0.83 | 1.9E-06 | 0.79 | 1.5E-05 | |
| 0.98 | 182.0792 | [M+H]+ | Tyrosine | Standard | 10.0 | 4.36 | 0.83 | 1.8E-06 | 0.84 | 8.2E-07 | |
| 0.59 | 120.0647 | [M+H]+ | Threonine | Standard | 2.6 | 1.38 | 0.85 | 7.1E-07 | 0.82 | 3.4E-06 | |
a
Metabolites confirmed by MS/MS or standard are indicated
b
Regiochemistry assigned based on the elution order
c
Average Fold Change and standard deviation, GalN- versus saline- treated rats
d
Correlation analysis with Liver damage indicators (CDS score and serum ALT activity)
e
Spearman's rank correlation coefficient GalN- versus saline- treated rats
f
F-distribution probability