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Table 1 Differential metabolites in the plasma and the kidney of hyperuricemia rats

From: Exploration of the anti-hyperuricemia effect of TongFengTangSan (TFTS) by UPLC-Q-TOF/MS-based non-targeted metabonomics

Metabolite name

Formula

Average Rt(min)

Average Mz

Adduct type

HMDB ID

Reference value

ppm

MS2

Sample

VIP value

P value

Deoxyuridine

C9H12N2O5

1.864

227.0676

[M-H]−

0000012

227.0674

1.0

111.0202,41.998

Plasma

1.27

0.0402

Deoxycytidine

C9H13N3O4

3.302

226.0854

[M-H]−

0000014

226.0833

4.6

135.0572,93.0476,66.0336,41.9999

Plasma

1.07

0.0038

Adenosine monophosphate

C10H14N5O7P

6.817

348.0689

[M + H]+

0000045

348.0704

− 4.3

136.0601,97.0269

Plasma

1.68

0.0409

Adenosine

C10H13N5O4

2.711

268.0995

[M + H]+

0000050

268.104

1.6

136.0609,119.0304,94.039

Plasma

1.90

0.0107

Cytidine

C9H13N3O5

3.858

242.0749

[M-H]−

0000089

242.0782

− 1.4

109.038,91.0302,81.0436,67.027,

41.9966

Plasma

1.04

0.0153

L-Tyrosine

C9H11NO3

4.679

180.0656

[M-H]−

0000158

180.0666

− 5.5

180.0605,163.0388,133.0532,119.0486,

107.0493,93.0347,72.0086

Plasma

1.15

0.0012

L-Serine

C3H7NO3

5.926

104.0353

[M-H]−

0000187

104.0353

0.1

104.0372,74.0231,72.0069

Plasma

1.19

0.0193

alpha-Ketoglutaric acid

C5H6O5

6.925

145.0117

[M-H]−

0000208

145.0143

− 5.9

73.0277,56.9944

Plasma

1.31

0.0080

Ornithine

C5H12N2O2

8.17

131.0839

[M-H]−

0000214

131.0826

5.6

131.0796,83.0612,68.9961,54.6111

Plasma

2.18

0.0198

Orotic acid

C5H4N2O4

3.713

155.0088

[M-H]−

0000226

155.0098

− 6.7

111.0194,67.0296,41.999

Plasma

1.38

0.0073

Riboflavin

C17H20N4O6

3.347

377.1419

[M + H]+

0000244

377.1456

− 4.3

377.1406,243.0913,198.0713

Plasma

1.10

0.0196

Uric acid

C5H4N4O3

5.102

167.0227

[M-H]−

0000289

167.0211

6.0

167.0217,124.0156,96.0203,69.0089,

41.9989

Plasma

1.11

0.0014

Urea

CH4N2O

1.718

61.03897

[M + H]+

0000294

61.03964

5.4

61.0379,44.016

Plasma

1.23

0.0086

Xanthosine

C10H12N4O6

4.881

283.0655

[M-H]−

0000299

283.0684

0.2

283.258,151.0266,108.0199

Plasma

2.13

0.0425

Uracil

C4H4N2O2

4.879

111.0195

[M-H]−

0000300

111.02

− 4.6

68.0191,67.0167,41.9985

Plasma

1.36

0.0002

N-Acetyl-L-phenylalanine

C11H13NO3

2.95

206.0792

[M-H]−

0000512

206.0823

− 5.2

164.0695,147.0399,103.0551,91.0539,

72.0083,58.0275

Plasma

2.41

0.0332

L-Arginine

C6H14N4O2

8.356

173.1041

[M-H]−

0000517

173.1044

− 1.8

131.0795,114.054

Plasma

1.08

0.0033

L-Glutamine

C5H10N2O3

5.869

145.0613

[M-H]−

0000641

145.0619

− 3.9

109.0394,101.0706,84.0415,74.0238,

58.0279,41.9976

Plasma

1.12

0.0027

Indoxyl sulfate

C8H7NO4S

0.427

212.0208

[M-H]−

0000682

212.0023

6.9

211.9986,132.0423,80.9623,79.9613

Plasma

1.64

0.0040

Kynurenic acid

C10H7NO3

3.135

190.0493

[M + H]+

0000715

190.0499

− 3.1

162.046,144.0444,116.051,89.0388

Plasma

1.55

0.0165

Indoleacetaldehyde

C10H9NO

0.534

158.0612

[M-H]−

0001190

158.0611

0.1

156.0444,130.0671,129.0593,128.0506

Plasma

1.03

0.0013

Guanosine monophosphate

C10H14N5O8P

7.338

364.062

[M + H]+

0001397

364.0653

− 4.9

364.141,152.0562

Plasma

1.52

0.0000

Phosphocreatine

C4H10N3O5P

6.885

210.026

[M-H]−

0001511

210.0285

2.4

969.9699,78.958,55.2934

Plasma

1.08

0.0005

Indoxyl glucuronide

C14H15NO7

4.047

308.0793

[M-H]−

0010319

308.0776

5.6

132.0394,75.0004,59.0116

Plasma

1.32

0.0003

N-Acetylhistidine

C8H11N3O3

4.908

198.085

[M + H]+

0032055

198.0873

3.4

156.0748,110.071,95.059,93.042,

83.0596

Plasma

1.48

0.0003

Deoxycytidine

C9H13N3O4

3.289

226.0828

[M-H]−

0000014

226.0833

− 2.4

135.0525,93.0422,66.0312,41.997

Kidney

1.53

0.0009

Carnosine

C9H14N4O3

5.626

225.1003

[M-H]−

0000033

225.0993

4.3

154.0605,137.0329,127.048,110.0698,

93.0439,87.054,81.043

Kidney

1.76

0.0112

beta-Alanine

C3H7NO2

1.441

90.05433

[M + H]+

0000056

90.05496

− 7.0

88.0353,59.0111,41.0011

Kidney

1.74

0.0020

SN-glycero-3-phosphocholine

C8H20NO6P

6.156

258.1086

[M + H]+

0000086

258.1101

− 5.8

184.0739,166.061,124.9986,104.1068,

86.0966,60.0796

Kidney

2.26

0.0219

Hypoxanthine

C5H4N4O

3.468

137.0454

[M + H]+

0000157

137.0458

− 3.1

137.0429,1139.0344,110.0335,94.0377,82.0391,67.0286,55.0296

Kidney

1.86

0.0000

Inosinic acid

C10H13N4O8P

7.103

347.0391

[M-H]−

0000175

347.0398

− 2.2

347.0296,211.0993,135.0252,96.9625,

78.9559

Kidney

1.28

0.0474

Inosine

C10H12N4O5

3.472

267.0738

[M-H]−

0000195

267.0735

1.0

135.0271,108.0153,92.0203

Kidney

1.93

0.0000

Orotic acid

C5H4N2O4

3.645

155.0094

[M-H]−

0000226

155.0098

− 2.9

111.0177,67.0288,59.0111,41.9969

Kidney

3.03

0.0018

Succinic acid

C4H6O4

5.005

117.0198

[M-H]−

0000254

117.0193

4.1

99.9228,83.9312

Kidney

1.14

0.0278

Uridine

C9H12N2O6

2.6

243.0637

[M-H]−

0000296

243.0623

6.0

152.0356,140.0357,122.0251,110.0243,82.0291,66.0337,41.9989

Kidney

1.68

0.0001

Adenosine 5ʹ-triphosphate

C10H16N5O13P3

7.632

505.9875

[M-H]−

0000538

505.9885

− 1.9

505.9939,487.9698,426.0208,408.0068,176.9354,158.9206,78.951

Kidney

1.62

0.0001

Cytosine

C4H5N3O

3.294

112.0497

[M + H]+

0000630

112.0505

− 7.9

112.0502,95.0227,94.0403,69.043,

68.1057,67.0284,52.0193,42.0341

Kidney

1.58

0.0001

L-Glutamine

C5H10N2O3

5.876

145.0629

[M-H]−

0000641

145.0619

7.3

127.0467,109.0358,84.0407,74.0205,

58.0259,41.9958

Kidney

1.01

0.0330

Citrulline

C6H13N3O3

6.188

176.1024

[M + H]+

0000904

176.103

− 3.5

159.0714,113.0708,70.0646,43.054

Kidney

1.36

0.0139

Betaine-Aldehyde

[C5H12NO]+

6.483

102.0906

[M]+

0001252

102.0913

− 7.5

102.0922,59.0741,58.0653

Kidney

2.20

0.0050

Ribose 5-phosphate

C5H11O8P

6.994

229.0129

[M-H]−

0001548

229.0119

4.3

96.9659,78.9566

Kidney

1.86

0.0001

CDP-ethanolamine

C11H20N4O11P2

7.024

445.052

[M-H]−

0001564

445.0531

− 2.5

445.0419,383.9898,322.0378,272.9579,

201.9624,96.9638,78.9547

Kidney

1.82

0.0139

Phosphorylcholine

C5H14NO4P

6.155

184.0728

[M + H]+

0001565

184.0733

− 2.6

184.0766,124.9976,98.9849,86.0973,

71.0766,60.0826,45.0332

Kidney

2.14

0.0296