Table 2.
UHPLC-QTOF-MS/MS identification of potential biomarkers in mice serum and their related information.
| No. | RT (min) | Metabolites | Molecular Formula | Adduct ion | Adduct mass | Actual mass | Error | Fragment ion |
|---|---|---|---|---|---|---|---|---|
| 1 | 3.75 | Valerylcarnitine | C12H23NO4 | [M+H]+ | 246.1703 | 246.1705 | −0.81 | 187.10,85.03,57.03 |
| 2 | 6.13 | N-Acetyldopamine | C10H13NO3 | [M+H]+ | 196.0952 | 196.0974 | −11.22 | 152.07,135.04,113.06,107.04 |
| 3 | 11.79 | N-Palmitoyl Arginine | C21H34O6S | [M+H]+ | 415.2116 | 415.2154 | −9.15 | 155.09,139.15,139.11,116.07 |
| 4 | 15.02 | Sphingosine | C18H37NO2 | [M+Na]+ | 322.2720 | 322.2722 | −0.62 | 264.27,221.23,196.16,137.13 |
| 5 | 15.13 | Arachidonoylcarnitine | C27H45NO4 | [M+Na]+ | 448.3420 | 448.3427 | −1.56 | 448.34,85.03,57.03 |
| 6 | 15.13 | 6-Methylene-4-pregnene-3,20-dione | C22H30O2 | [M+H]+ | 349.2121 | 349.2143 | −6.30 | 267.17,239.14,175.11,105.07 |
| 7 | 15.88 | LysoPA(22:6) | C25H39O7P | [M+Na]+ | 505.2309 | 505.2331 | −4.35 | 311.24,311.24,155.01 |
| 8 | 16.13 | LysoPC(22:5) | C30H52NO7P | [M+Na]+ | 592.3368 | 592.3379 | −1.86 | 473.26,387.29,184.07,104.11 |
| 9 | 16.23 | LysoPC(20:3) | C28H52NO7P | [M+H]+ | 546.3551 | 546.356 | −1.65 | 363.29,258.11,240.10,184.07,104.11 |
| 10 | 16.31 | PG(TXB2/i-24:0) | C50H93O14P | [M − H]- | 947.6151 | 947.6225 | −7.81 | 367.36,171.01,152.99 |
| 11 | 16.33 | LysoPE(16:0) | C21H44NO7P | [M+H]+ | 454.2917 | 454.2934 | −3.74 | 313.27,257.25,239.24,109.10 |
| 12 | 16.36 | MG(22:6/0:0/0:0) | C25H38O4 | [M+Na]+ | 425.2665 | 425.2668 | −0.71 | 385.27,329.25,269.23,157.10,131.09 |
| 13 | 16.46 | MG(18:2/0:0/0:0) | C21H38O4 | [M+Na]+ | 377.2678 | 377.2668 | 2.65 | 337.27,263.24,139.11,121.10 |
| 14 | 16.68 | PC(20:5-3OH/2:0) | C30H50NO11P | [M+H]+ | 632.3256 | 632.3200 | 8.86 | 184.07,147.00,125.00,104.11 |
| 15 | 16.68 | LysoPC(20:2) | C28H54NO7P | [M+H]+ | 548.3707 | 548.3716 | −1.64 | 467.25,365.31,146.98,104.11 |
| 16 | 16.69 | 5beta-Pregnane-3,20-dione | C21H32O2 | [M+H]+ | 317.2452 | 317.2481 | −9.14 | 275.24,203.14,193.16,179.14,107.09 |
| 17 | 16.76 | PA(20:4-2OH/i-14:0) | C37H65O10P | [M+Na]+ | 723.4340 | 723.4213 | 17.56 | 602.45,495.21,405.2045,387.19 |
| 18 | 17.06 | LysoPE(18:0) | C23H48NO7P | [M+H]+ | 482.3231 | 482.3247 | −3.32 | 421.17,339.29,285.28,111.12 |
| 19 | 17.65 | LysoPI(20:4) | C29H49O12P | [M+Na]+ | 643.2902 | 643.2859 | 6.68 | 361.27,301.07,259.24,147.07 |
| 20 | 18.07 | Calcium octadecanoate | C36H70CaO4 | [M+Na]+ | 629.4786 | 629.4798 | −1.91 | 263.24,123.12,109.10 |
| 21 | 18.22 | Ethyl octadec-9-enoate | C20H38O2 | [M+H]+ | 311.2978 | 311.2950 | 8.99 | 265.25,247.24,135.12 |
| 22 | 18.22 | dihydrocorticosterone | C21H32O4 | [M+H]+ | 349.2416 | 349.2379 | 10.59 | 271.21,175.11,145.10,125.10 |
| 23 | 18.85 | Cerd(18:0/18:0) | C36H73NO3 | [M+H]+ | 568.5667 | 568.5669 | −0.35 | 550.56,302.31,284.29 |