Research Article
The Evaluation of Toxicity Induced by Psoraleae Fructus in Rats Using Untargeted Metabonomic Method Based on UPLC-Q-TOF/MS
Table 1
Potential toxic biomarkers of Psoraleae Fructus.
| | Number | (min) | Obsd | Calcd | ppm | Metabolite | Formula | Change | MS/MS |
| | (1) | 0.80 | 241.0309 | 241.0317 | −3.32 | Cystine | | | 241.0
121.9
119.9 |
| | (2) | 0.82 | 162.1134 | 162.1130 | 2.47 | Carnitine | | | 162.1
103.0 |
| | (3) | 0.85 | 90.0553 | 90.0549 | 4.44 | Alanine | | | 90.0
72.0 |
| | (4) | 1.00 | 169.0360 | 169.0362 | −1.18 | Uric acid | | | 169.0
152.0 [M + H − NH3]+
126.0 [M + H − CHNO]+
96.0 [M + H − C2H3NO2]+ |
| | (5) | 1.01 | 182.0819 | 182.0817 | 1.10 | Tyrosine | | | 182.0
164.1 [M + H − H2O]+
136.1 [M + H − C2H6O]+ |
| | (6) | 5.63 | 494.3248 | 494.3247 | 0.20 | LPC (16 : 1) | | | 494.3 [M + H]+
476.3
184.1
104.1 |
| | (7) | 5.80 | 590.3224 | 590.3223 | 0.17 | LPC (22 : 6) | | | 590.3 [M + Na]+
568.3 [M + H]+
184.0 ]+
104.1 |
| | (8) | 5.85 | 478.2952 | 478.2934 | 3.76 | LPE (18 : 2) | | | 478.3
337.3 |
| | (9) | 6.22 | 496.3413 | 496.3403 | 2.01 | LPC (16 : 0) | | | 496.3 [M + H]+
184.0
104.1 |
| | (10) | 6.38 | 546.3564 | 546.3560 | 0.73 | LPC (20 : 3) | | | 546.4
528.4
184.1
104.1 |
| | (11) | 6.46 | 400.3430 | 400.3427 | 0.75 | Palmitoyl carnitine | | | 400.3
341.2
144.1
85.0 |
| | (12) | 6.64 | 303.2322 | 303.2300 | 7.26 | Linoleic acid | | | 303.2
281.2 [M + H]+
124.0 []+ |
| | (13) | 7.12 | 548.3718 | 548.3716 | 0.36 | LPC (20 : 2) | | | 548.3
184.0
104.1 |
|
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: content increased; : content decreased.
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