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Table 2 List of assigned statistically significantly lipid molecules and change trend of biomarkers on plasma lipid profile in positive ion mode after comparison of IPF patient samples to control samples

From: Identification of the lipid biomarkers from plasma in idiopathic pulmonary fibrosis by Lipidomics

No.

Code

Calc m/z

tR

VIP

Trenda

Accepted Description

LipidIon

Element

Lipid class

P-Value

1

R1

1516.124

5.06

8.58719

↓

CL(1′-[20:0/20:0],3′-[18:1/18:2])

M + H,M + Na,M + H + Na

C85H160O17P2

Glycerophospholipids

7.90E-08***

2

R2

872.769

14.54

7.63644

↑

TG(16:0/18:2/18:2)[iso3]

M + H,M + NH4

C55H98O6

Glycerolipids

1.24E-07***

3

R3

806.567

4.52

6.33481

↓

PC(22:6/16:0)

M + H,M + Na,M + K,2 M + H,2 M + Na

C46H80NO8P

Glycerophospholipids

9.24E-07***

4

–

877.724

14.55

6.05829

↓

TG(16:1/18:1/18:2)[iso6]

M + Na,M + K,2 M + Na

C55H98O6

Glycerolipids

0.2370

5

–

874.785

14.82

4.60354

↑

TG(16:0/18:1/18:2)[iso6]

M + H-H2O,M + H,M + NH4,M + Na,

M + K,2 M + NH4,2 M + Na

C55H100O6

Glycerolipids

0.1117

6

R4

782.567

4.23

4.39906

↓

PA(17:2/22:1)

M + ACN + H

C42H77O8P

Glycerophospholipids

0.0074**

7

–

903.739

14.55

3.8738

↓

TG(16:1/18:1/20:3)[iso6]

M + Na,M + K

C57H100O6

Glycerolipids

0.0017**

8

R5

900.801

14.84

3.45942

↑

TG(16:0/18:1/20:3)[iso6]

M + NH4,M + Na

C57H102O6

Glycerolipids

0.0174*

9

R6

902.816

15.11

3.44338

↑

TG(16:0/18:3/20:0)[iso6]

M + NH4,M + Na,2 M + Na

C57H104O6

Glycerolipids

0.0035**

10

R7

666.618

14.64

3.39521

↑

Stigmasteryl ester(16:1)

M + H,M + NH4,M + K,2 M + NH4,2 M + Na

C45H76O2

Stero lipids

7.79E-08***

11

R8

834.598

5.99

3.14588

↓

PS(20:0/19:0)

M + H-2H2O,M + H,M + Na,2 M + H,2 M + Na

C45H88NO10P

Glycerophospholipids

0.0019**

12

R9

369.352

14.65

3.00377

↑

(E,E)-3,7,11-Trimethyl-2,

6,10-dodecatrienyl dodecanoate

M + H-2H2O

C27H48O2

Fatty acids

7.31E-08***

13

R10

577.519

15.08

2.65073

↑

DG(16:0/18:1/0:0)

M + H-H2O

C37H70O5

Glycerolipids

7.02E-08***

14

R11

848.769

14.77

2.49731

↑

TG(16:0/16:1/18:1)[iso6]

M + H,M + NH4,M + Na,M + K

C53H98O6

Glycerolipids

0.0174*

15

R12

780.552

4.07

2.47828

↓

PE(20:0/17:2)

M + Na

C42H80NO8P

Glycerophospholipids

0.0232*

16

R13

603.535

15.07

2.44092

↑

DG(O-16:0/18:1)

M + Na

C37H72O4

Glycerolipids

7.02E-08***

17

–

758.569

3.96

2.34541

↓

PC(16:0/18:2)

M + H

C42H80NO8P

Glycerophospholipids

0.5407

18

R14

701.558

3.58

2.32011

↓

SM(d16:1/18:1)

M + H,M + Na,M + K,2 M + H,2 M + Na

C39H77N2O6P

Sphingolipids

0.0006***

19

R15

496.339

0.75

2.29702

↓

PC(0:0/16:0)

M + H-H2O,M + H,M + Na,M + K,2 M + K

C24H50NO7P

Glycerophospholipids

0.0049**

20

R16

369.352

15.00

2.27907

↑

3-Deoxyvitamin D3

M + H,M + NH4,2 M + H

C27H44

Stero lipids

7.31E-08***

21

–

870.753

14.27

2.16619

↓

TG(14:1/16:0/22:4)[iso6]

M + NH4,M + Na,M + K

C55H96O6

Glycerolipids

0.2829

22

R17

925.796

14.55

2.1151

↑

TG(18:4/20:3/22:0)[iso6]

M + H-2H2O

C63H108O6

Glycerolipids

7.86E-08***

23

R18

801.682

10.78

2.06029

↓

SM(d17:1/24:0)

M + H,M + Na

C46H93N2O6P

Sphingolipids

1.85E-05***

24

–

899.709

13.99

1.99376

↓

TG(16:1/18:2/20:4)[iso6]

M + NH4,M + Na,M + K

C57H96O6

Glycerolipids

0.1458

25

R19

546.352

1.24

1.88084

↓

PS(22:0/0:0)

M + H-2H2O

C28H56NO9P

Glycerophospholipids

0.0249*

26

–

873.693

13.97

1.87046

↓

TG(15:1/17:1/20:4)[iso6]

M + Na,M + K

C55H94O6

Glycerolipids

0.1245

27

–

834.598

5.14

1.83438

↓

PC(22:4/18:2)

M + H,M + Na,2 M + Na

C48H84NO8P

Glycerophospholipids

0.4226

28

R20

832.580

5.49

1.81376

↓

PC(20:2/18:2)

M + Na,2 M + Na

C46H84NO8P

Glycerophospholipids

1.22E-06***

29

–

931.771

15.01

1.81008

↓

TG(17:0/17:0/22:5)[iso3]

M + Na

C59H104O6

Glycerolipids

0.5582

30

–

786.601

4.84

1.76508

↓

PC(18:1/18:1)

M + H-H2O,M + H,M + K

C44H84NO8P

Glycerophospholipids

0.9026

31

–

1564.121

2.72

1.68796

↓

PC(22:4/14:0)

M + NH4,M + K,2 M + H

C44H80NO8P

Glycerophospholipids

0.2314

32

R21

603.532

14.82

1.64593

↑

DG(18:0/18:2/0:0)[iso2]

M + H-H2O

C39H72O5

Glycerolipids

7.53E-08***

33

R22

575.503

14.54

1.62251

↑

DG(16:0/18:2/0:0)[iso2]

M + H-H2O

C37H68O5

Glycerolipids

2.58E-07***

34

–

812.614

6.86

1.61868

↓

PS(O-20:0/20:2)

M + H-H2O,M + H

C46H88NO9P

Glycerophospholipids

0.0893

35

–

849.693

14.21

1.61511

↓

TG(14:1/18:1/18:2)[iso6]

M + NH4,M + Na,M + K

C53H94O6

Glycerolipids

0.2829

36

–

904.831

15.36

1.53098

↑

TG(17:0/18:1/19:1)[iso6]

M + NH4,M + Na,M + K,2 M + Na

C57H106O6

Glycerolipids

0.1615

37

R23

828.551

5.01

1.5305

↓

PS(P-18:0/19:0)

M + H-H2O,M + K

C43H84NO9P

Glycerophospholipids

0.0428*

38

R24

599.504

14.54

1.49112

↑

DG(18:1/18:3/0:0)[iso2]

M + H-H2O,M + H

C39H68O5

Glycerolipids

1.21E-07***

39

–

901.725

13.34

1.48742

↓

TG(16:0/16:0/22:6)[iso3]

M + NH4,M + Na

C57H98O6

Glycerolipids

0.7340

40

R25

955.759

13.01

1.48372

↓

TG(19:1/22:6/22:6)[iso3]

M + H-2H2O

C66H102O6

Glycerolipids

3.56E-06***

41

–

925.724

14.16

1.46671

↓

TG(12:0/22:2/22:6)[iso6]

M + NH4,M + Na,M + K

C59H98O6

Glycerolipids

0.1458

42

–

879.739

13.99

1.38113

↓

GalCer(d18:1/26:1(17Z))

M + ACN + H

C50H95NO8

Sphingolipids

0.7340

43

R26

601.518

14.53

1.36641

↑

DG(18:1/18:2/0:0)[iso2]

M + H-H2O

C39H70O5

Glycerolipids

8.04E-07***

44

–

810.599

4.57

1.32667

↓

PC(18:0/18:1)

M + Na

C44H86NO8P

Glycerophospholipids

0.1534

45

R27

759.637

6.96

1.30466

↓

SM(d18:1/20:0)

M + H,M + Na,2 M + H

C43H87N2O6P

Sphingolipids

0.0139*

46

–

524.371

1.10

1.29548

↓

PC(18:0/0:0)

M + H,M + K

C26H54NO7P

Glycerophospholipids

0.2479

47

R28

830.566

3.80

1.25023

↓

PC(22:6/18:2)

M + H,M + Na

C48H80NO8P

Glycerophospholipids

0.0038**

48

R29

1620.182

4.50

1.22041

↓

PI-Cer(d20:0/16:0)

M + H-2H2O,M + K,2 M + H

C42H84NO11P

Glycerophospholipids

7.90E-08***

49

–

828.551

4.04

1.20343

↓

PE(22:6/19:0)

M + Na

C46H80NO8P

Glycerophospholipids

0.2060

50

R30

948.800

14.59

1.20004

↑

TG(18:1/20:3/20:4)[iso6]

M + NH4

C61H102O6

Glycerolipids

7.90E-08***

51

R31

794.602

4.86

1.19345

↓

PC(20:3/P-18:1)

M + H,M + Na,2 M + H

C46H84NO7P

Glycerophospholipids

1.93E-07***

52

R32

790.569

5.79

1.18604

↓

PA(20:5/20:1)

M + H-H2O,M + ACN + H

C43H73O8P

Glycerophospholipids

0.0012**

53

–

881.754

14.25

1.18421

↓

TG(15:0/18:1/19:1)[iso6]

M + Na

C55H102O6

Glycerolipids

0.2829

54

–

1494.138

6.25

1.17806

↓

CL(1′-[20:0/18:0],3′-[18:0/18:0])

M + H

C83H162O17P2

Glycerophospholipids

0.5751

55

R33

851.708

13.63

1.14176

↓

20:1-Glc-Sitosterol

M + H-H2O

C55H96O7

Stero lipids

0.0161*

56

R34

897.696

13.73

1.10216

↓

TG(18:3/18:3/20:5)[iso3]

M + H

C59H92O6

Glycerolipids

0.0014**

57

–

542.321

0.60

1.09805

↓

PC(20:5/0:0)

M + H

C28H48NO7P

Glycerophospholipids

0.3318

58

–

1576.219

8.50

1.05263

↓

PC(17:0/19:1)

M + K,2 M + H

C44H86NO8P

Glycerophospholipids

0.2471

59

–

951.740

14.31

1.04393

↓

TG(18:4/20:0/20:5)[iso6]

M + Na,M + K

C61H100O6

Glycerolipids

0.3918

60

–

896.768

14.27

1.01614

↓

TG(18:1/18:2/18:3)[iso6]

M + NH4,M + Na

C57H98O6

Glycerolipids

0.9892

61

R35

920.768

14.30

1.01291

↑

TG(16:0/20:3/20:5)[iso6]

M + NH4,M + K

C59H98O6

Glycerolipids

1.40E-06***

62

–

905.754

13.68

1.00186

↓

TG(12:0/20:1/22:3)[iso6]

M + Na

C57H102O6

Glycerolipids

0.8811

  1. aChange trend of lipids on IPF patients vs controls. The levels of potential lipid biomarkers labeled with (↑) and (↓) represent up-regulation and down-regulation, respectively. The variable importance for projection (VIP) statistics and T-test were used applied to select significant variables leading to group separation. VIP value larger than 1.0 were considered statistically significant and significant differences in statistics were also defined by P values of < 0.05 (*), < 0.01 (**), and < 0.001 (***)
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BMC Pulmonary Medicine

ISSN: 1471-2466

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