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Table 2 Identification of differential metabolites in the liver of rats in each group

From: Alleviating the effect of quinoa and the underlying mechanism on hepatic steatosis in high-fat diet-fed rats

Component name

MS (m/z)

Observed RT (min)

Mass error (ppm)

Formula

Adducts

VIP

Trend

NC/HF

HF + LQ/HF

HF + HQ/HF

PC(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

854.5679

8.37

− 1.8

C50H80NO8P

M + H, M + Na

2.3

↑

↓

↓

PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))

804.5511

8.41

− 3.4

C46H78NO8P

M + H, M + Na

3.2

↑

↑

↓

PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z))

830.5677

8.46

− 2.1

C48H80NO8P

M + H, M + Na

5.1

↑

↓

↓

PC(18:2(9Z,12Z)/16:0)

780.5509

8.94

− 0.6

C42H80NO8P

M + Na

1.5

↓

↓

↓

PC(16:0/18:1(9Z))

760.5842

9.20

− 1.1

C42H82NO8P

M + H

5.5

↓

↓

↓

Adenosine

268.1038

0.80

− 0.9

C10H13N5O4

M + H

1.0

↑

↓

↓

LysoPC(20:2(11Z,14Z))

548.3706

6.51

− 0.9

C28H54NO7P

M + H, M + Na

2.1

↑

↑

↑

LysoPC(15:0)

482.3241

7.02

− 0.1

C23H48NO7P

M + H, M + Na, 2M + H, 2M + Na

3.6

↓

↓

↑

SM(d18:1/24:1(15Z))

813.6857

10.05

1.6

C47H93N2O6P

M + H, M + Na

2.4

↓

↓

↓

Pantothenic acid

220.1178

1.67

− 0.8

C9H17NO5

M + H, M + Na

1.2

↑

↑

↑

Pyroglutamic acid

130.0498

1.15

− 0.6

C5H7NO3

M + H

1.1

↑

↓

↓

Pyrroline hydroxycarboxylic acid

130.0499

0.69

− 0.1

C5H7NO3

M + H

1.5

↑

↓

↓

Docosahexaenoic acid

329.2462

6.64

− 4.1

C22H32O2

M + H, M + NH4, M + Na

1.0

↓

↓

↓

Dipalmitoylphosphatidylcholine

734.5686

9.22

− 1.2

C40H80NO8P

M + H

2.3

↑

↓

↓

Glutathione

308.0906

0.77

− 1.5

C10H17N3O6S

M + H

8.8

↑

↑

↑

Oxidized glutathione

307.0833

0.69

0.0

C20H32N6O12S2

M + H, M + 2H

4.6

↑

↓

↓

Dioleoylphosphatidylcholine

786.5996

9.25

− 1.5

C44H84NO8P

M + H

6.0

↓

↓

↓

FAD

786.1630

1.70

− 1.8

C27H33N9O15P2

M + H

1.1

↑

↑

↓

Niacinamide

123.0553

0.67

0.1

C6H6N2O

M + H

1.2

↑

↓

↓

Pantetheine 4′-phosphate

359.1033

1.66

− 0.9

C11H23N2O7PS

M + H, M + Na, 2M + H, 2M + Na

2.7

↑

↑

↑

Inosine

267.0734

1.54

− 0.5

C10H12N4O5

M-H

3.9

↑

↓

↓

Glycerol 3-phosphate

171.0063

0.61

− 0.6

C3H9O6P

M-H

1.3

↑

↑

↑

  1. PC: phosphatidylcholine; LysoPC: lysophosphatidylcholine; SM: sphingomyelin; FAD: flavin adenine dinucleotide