A Metabolomics-Based Strategy for the Mechanism Exploration of Traditional Chinese Medicine: Descurainia sophia Seeds Extract and Fractions as a Case Study
Table 1
Potential biomarkers related to R-UJ model.
Mode
Number
Name
Formula
Determined m/z
Ion form
(min)
Trend
ESI-
1
Hippuric acid
C9H9NO3
178.0510
6.4
2
Phenylacetylglycine
C10H11NO3
192.0665
8.4
3
p-Cresol sulfate
C7H8O4S
187.0070
9.0
4
Indoxyl sulfate
C8H7NO4S
212.0021
6.6
5
p-Cresol glucuronide
C13H16O7
283.0825
9.4
6
4-Sulfocatechol
C6H6O5S
188.9858
4.4
7
3-(Acetylthio)-2-methylfuran
C7H8O2S
201.0224
13.7
8
2-Phenylethanol glucuronide
C14H18O7
297.0979
13.7
9
Dihomomethionine
C7H15NO2S
222.0802
7.4
10
Phenol sulfate
C6H6O4S
172.9911
5.4
11
Dopamine
C8H11NO2
134.0603
6.8
12
Allantoate
C4H8N4O4
157.0361
1.0
13
2-Oxoglutarate
C5H6O5
145.0134
1.2
14
Indole-3-acryloyl-glycine
C13H14N2O4
243.0770
12.4
15
Taurine
C2H7NO3S
124.0065
1.0
16
Homovanillin
C9H10O3
165.0551
9.8
17
Ferulic acid 4-sulfate
C10H10O7S
273.0069
7.2
ESI+
18
Creatinine
C4H7N3O
114.0664
1.0
19
Cincassiol B
C20H32O8
212.1033
1.0
20
N(6)-Methyllysine
C7H16N2O2
143.1181
1.0
21
4,6-Dihydroxyquinoline
C9H7NO2
162.0550
8.2
22
Isoquinoline
C9H7N
130.0651
9.7
23
Lactaroviolin
C15H14O
233.0923
9.8
24
Equol
C15H14O3
243.1018
13.6
25
1-Isobutanol
C21H27NO10
436.1603
13.6
26
(±)-Metalaxyl
C15H21NO4
280.1543
8.4
and , compared with the control group; and , compared with the model group. represents R-UJ model group compared with the control group; represents DS-A, DS-A1, DS-A2, DS-A3, DS-A4, and DS-A5 group compared with R-UJ model group, respectively.
