Evidence-Based Complementary and Alternative Medicine / 2013 / Article / Tab 1

Research Article

Metabonomics Combined with UPLC-MS Chemical Profile for Discovery of Antidepressant Ingredients of a Traditional Chinese Medicines Formula, Chaihu-Shu-Gan-San

Table 1

The potential biomarkers of CUMS-induced depression and their variation tendency after oral administration of CSGS or QZ extract for 28 days.

NMRUPLC-Q-TOF/MS
No.Metabolitesδ (ppm) and multiplicityTrendNo. MetabolitesTR Selected ionElemental compositionFragment of MS/MSTrend
CUMScCSGSdQZdCUMScCSGSdQZd

1Lipid(CH3CH2)0.94 (t)↓**↑**↑**15Dopaminea1.07154.1628 C8H11NO2154.1628; 119.1435; 109.1635; 91.1547↑**↓** ↓**
2Isoleucine0.94 (t)↓** ↑**16Histamineb0.7112.0727 C5H9N3112.0727; 95.0653↑**↓** ↓**
3Glutamate2.36 (m)↓** ↑**17Isobutyrylglycineb1.15144.1583 C6H11NO3128.2656; 74.1324↑**↓** ↓**
4L-dopa2.96 (d)↓** ↑**182-phenylethanol glucuronideb5.94297.0976 C14H18O7ND↑**↓** ↓**
5α-glucose3.86 (dd), 5.23 (d)↑**↓** ↓** 193-hydroxyhippuric acida4.36195.1846 C9H9NO4195.1846; 180.0856↓** ↑**↑**
6L-serine3.96 (d)↑**↓** ↓** 20Creatinea4.36132.0951 C4H9N3O2132.0951; 90.1743↓** ↑**↑**
7Phenylalanine3.97, 7.32 (m)↑**↓** ↓** 215-aminoimidazole-4-carboxamideb2.93125.0874 C4H6N4OND↓** ↑**↑**
8Hippurate acid7.55 (m), 7.57 (m), 7.84 (d)↑**↓** ↓** 22Glyceric acid 1,3-biphosphatea0.59267.0585 C3H8O10P2267.0585; 250.0323↓** ↑**
9Kynurenic acid7.64 (d)↑**↓** ↓** 23 L-kynureninea0.64209.0795 C10H12N2O3209.0795; 192.1320; 94.3122↓** ↑**
10Acetoacetate2.22 (s)↓** ↑**242-aminomuconate semialdehydeb9.29140.1169 C6H7NO3ND↓** ↑**
113-hydroxybutyrate2.31 (d), 2.33 (m), 2.38 (m)↓** ↑**252-amino-3-carboxymuconate semialdehydeb9.69184.1278 C7H7NO5ND↓** ↑**
12Pyruvate2.36 (s)↓** ↑**26N-acetylserotoninb4.68217.1081 C12H14N2O2ND↓** ↑**
13Glutamine2.08 (m)↓** ↑**27Indole-3-ethanola3.37162.1183 C10H11NO162.1183; 144.1054↑**↓**
14Tyrosine7.22 (m)↑**↓** 285-methoxytryptaminea1.26191.0824 C11H14N2O191.0824; 173.0807; 160.097↑**↓**

aThe potential biomarkers were detected by UPLC-Q-TOF/MS in positive mode.
bThe potential biomarkers were detected by UPLC-Q-TOF/MS in negative mode.
cChang trend compared to control group.
dChang trend compared to CUMS group.
The levels of potential biomarkers were labeled with () downregulated and (↑) upregulated ( ; ); (—) represents no statistically significant difference.
CUMS: model group; CSGS: CSGS treated group with CUMS; QZ: QZ treated group with CUMS.

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