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Table 2 Differentially expressed serum metabolites between patients with SCI and healthy controls

From: The gut microbiota and metabolite profiles are altered in patients with spinal cord injury

Metabolite

Formula

Adducts

VIP

FC

p-value

Mode

PC(18:2/0:0)

C26H50NO7P

M + H-H2O, M + Na, M + H

1.05

0.99

0.037

pos

Benzyl ethyl ether

C9H12O

M + H, M + NH4, M + H-H2O

3.71

1.28

0.004

pos

Hypoxanthine

C5H4N4O

M + H-H2O, M + H

1.90

1.05

0.018

pos

3-Hexenoic acid

C6H10O2

M + ACN + H, 2 M + K

2.59

0.87

0.021

pos

L-Nicotianine

C10H12N2O4

M + H-H2O

2.79

0.86

0.009

pos

Indoleacetyl glutamine

C15H17N3O4

M + H

2.45

0.84

0.043

pos

Hypoglycin

C7H11NO2

M + H

1.12

1.02

0.002

pos

Pipericine

C22H41NO

M + H

1.04

1.02

0.023

pos

Xestoaminol C

C14H31NO

M + H

1.93

0.96

0.001

pos

12-Hydroxydodecanoic acid

C12H24O3

2M + NH4

1.40

0.98

0.000

pos

MG(0:0/15:0/0:0)

C18H36O4

M + NH4

4.37

0.78

0.000

pos

6-Hydroxypentadecanedioic acid

C15H28O5

M + ACN + H

1.99

0.92

0.022

pos

DL-2-Aminooctanoic acid

C8H17NO2

M + H

2.23

0.92

0.004

pos

2-Methylbutyroylcarnitine

C12H23NO4

M + H

1.30

0.97

0.009

pos

Glycylglycylglycine

C6H11N3O4

M + H-2H2O

1.57

1.05

0.012

pos

Hydroxyprolyl-proline

C10H16N2O4

M + H-H2O

2.60

1.13

0.003

pos

Dopaquinone

C9H9NO4

M + ACN + H

1.61

0.95

0.017

pos

KOJIC ACID

C6H6O4

M + H

1.28

1.02

0.000

pos

2-Amino-4-butanoic acid

C19H25N3O7S

M + 2Na-H

2.22

0.90

0.019

pos

ZAPA

C4H6N2O2S

M + H

1.54

1.05

0.039

pos

Oxidanesulfonic acid

C30H28O14S

M + 2Na-H

1.16

0.98

0.020

pos

13′-Carboxy-gamma-tocopherol

C28H46O4

M-H, M + Na-2H

1.51

0.96

0.039

neg

Glutamylvaline

C10H18N2O5

M-H2O-H

3.02

1.16

0.001

neg

Uridine

C9H12N2O6

M-H

1.16

1.03

0.049

neg

3b,12a-Dihydroxy-5a-cholanoic acid

C24H40O4

M + FA-H

2.17

0.91

0.008

neg

Deoxycholic acid

C24H40O4

M-H

1.70

0.94

0.039

neg

Topaquinone

C9H9NO5

M-H2O-H

1.54

1.07

0.046

neg

Allocholic acid

C24H40O5

M-H

2.20

0.92

0.012

neg

1,10-Bisaboladiene-3,4-diol

C15H26O2

M + FA-H

1.34

1.04

0.008

neg

Triptohypol F

C31H52O2

M + FA-H

1.39

0.96

0.043

neg

Malathion monocarboxylic acid

C8H15O6PS2

M + FA-H

1.35

0.96

0.032

neg

20-Dihydrodydrogesterone

C23H34

M + Na-2H

2.51

1.20

0.023

neg

7a,17-dimethyl-5b-Androstane-

C21H36O2

M + FA-H

1.45

0.96

0.046

neg

3a,17b-diol

      

Taurochenodeoxycholate-7-sulfate

C26H45NO9S2

M-2H

2.54

1.10

0.000

neg

Acetyl-DL-Valine

C7H13NO3

M-H

1.08

1.03

0.036

neg

Hydantoin-5-propionic acid

C6H8N2O4

M-H

2.00

0.92

0.009

neg

Asparaginyl-hydroxyproline

C9H15N3O5

M + FA-H

6.25

0.53

0.001

neg

Gamma-D-glutamylglycine

C7H12N2O5

M-H

1.47

0.97

0.001

neg

D-Apiose

C5H10O5

M-H

1.75

1.07

0.020

neg

Hexadecanedioic acid

C16H30O4

M-H

1.61

1.05

0.002

neg

L-Glutamate

C5H9NO4

M-H

1.04

1.02

0.048

neg