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Table 2 Differential lipids between NR and CA groups in both ESI modes

From: Serum untargeted lipidomics by UHPLC-ESI-HRMS aids the biomarker discovery of colorectal adenoma

Name

Formula

Scan mode

Detective m/z

RT (min)

P value

Fold change

AUC

Triheptanoin

C24 H44 O6

ESI+

451.30408

5.32

0.000

30.57

0.850

TAG 58:7

C61 H104 O6

 

950.81793

12.64

0.024

0.44

0.665

TAG 55:2

C58 H108 O6

 

914.84888

14.23

0.010

0.27

0.756

TAG 54:8

C57 H94 O6

 

892.73761

11.49

0.029

0.46

0.674

TAG 54:7

C57 H96 O6

 

894.74548

11.76

0.001

0.53

0.725

TAG 54:1

C57 H108 O6

 

906.84503

14.32

0.001

0.38

0.791

TAG 54:0

C57 H110 O6

 

908.86298

14.54

0.020

0.28

0.705

TAG 53:2

C56 H104 O6

 

890.80969

13.09

0.000

4.02

0.862

TAG 53:0

C56 H108 O6

 

894.84143

14.24

0.032

0.20

0.778

TAG 52:6

C55 H94 O6

 

873.69482

11.36

0.000

0.39

0.703

TAG 51:5

C54 H94 O6

 

856.73828

11.67

0.006

0.57

0.668

TAG 50:5

C53 H92 O6

 

842.72321

11.48

0.005

0.50

0.698

TAG 49:3

C52 H94 O6

 

832.73969

12.17

0.006

0.38

0.664

TAG 49:2

C52 H96 O6

 

834.74469

12.07

0.001

0.60

0.728

TAG 49:1

C52 H98 O6

 

836.77118

12.75

0.032

0.40

0.704

TAG 49:0

C52 H100 O6

 

838.78638

13.55

0.003

0.39

0.745

TAG 48:1

C51 H96 O6

 

822.75482

12.36

0.000

0.60

0.809

TAG 46:1

C49 H92 O6

 

794.72369

11.88

0.000

0.50

0.752

TAG 46:0

C49 H94 O6

 

796.74139

12.42

0.000

0.41

0.815

TAG 45:0

C48 H92 O6

 

782.71979

12.11

0.000

0.55

0.780

TAG 44:1

C47 H88 O6

 

766.69427

11.31

0.000

0.33

0.824

TAG 44:0

C47 H90 O6

 

768.70270

11.68

0.000

0.42

0.860

SM d43:1

C48 H97 N2 O6 P

 

829.71655

10.61

0.000

0.66

0.752

SM d35:2

C40 H79 N2 O6 P

 

715.57685

8.47

0.000

0.63

0.787

SM d31:1

C36 H73 N2 O6 P

 

661.52917

7.66

0.000

0.64

0.747

PC 36:5e

C44 H80 N O7 P

 

766.57556

8.67

0.006

0.57

0.718

PC 44:5

C52 H94 N O8 P

 

892.67596

10.43

0.000

0.03

1.000

PC 39:8

C47 H78 N O8 P

 

816.55990

8.55

0.001

0.55

0.760

PC 37:3

C45 H84 N O8 P

 

798.60315

9.31

0.003

0.22

0.709

PC 32:2

C40 H76 N O8 P

 

730.53705

8.50

0.004

0.49

0.616

PC 21:4

C29 H50 N O8 P

 

572.33582

2.70

0.000

0.47

0.900

PC 34:2

C42 H80 N O8 P

 

758.57068

8.60

0.001

0.56

0.744

Palmitoyl ethanolamide

C18 H37 N O2

 

300.28989

4.32

0.000

2.02

0.973

Palmitic acid

C16 H32 O2

 

274.27435

1.19

0.000

17.64

0.930

Oleoyl ethanolamide

C20 H39 N O2

 

326.30597

4.71

0.000

2.01

0.883

O-(4,8-dimethylnonanoyl)carnitine

C18 H35 N O4

 

330.26450

1.04

0.000

0.47

0.872

Methyl palmitate

C17 H34 O2

 

288.29022

1.35

0.000

1.52

0.943

LPC 20:5

C28 H48 N O7 P

 

542.32483

1.95

0.046

0.35

0.772

PC 32:0

C40 H80 N O8 P

 

734.57001

9.07

0.005

0.47

0.712

DAG 38:6

C41 H68 O5

 

641.51538

9.23

0.015

0.33

0.758

DAG 36:5

C39 H66 O5

 

615.49921

8.99

0.001

0.40

0.777

DAG 34:2

C37 H68 O5

 

609.59497

9.67

0.002

0.50

0.742

Decanoylcarnitine

C17 H33 N O4

 

316.24884

0.97

0.000

0.62

0.781

Cer (d18:1/25:0)

C43 H85 N O3

 

664.66088

11.05

0.001

2.50

0.661

Cer (d18:1/24:0)

C42 H83 N O3

 

650.64496

10.84

0.002

0.40

0.779

DAG 38:3

C41 H74 O5

 

647.56055

10.11

0.017

0.32

0.777

2-Arachidonoyl glycerol

C23 H38 O4

 

379.28247

5.25

0.000

0.24

0.933

TAG 56:9

C59 H96 O6

 

918.75745

11.46

0.003

0.56

0.686

PC 32:3

C40 H74 N O8 P

 

728.52399

7.89

0.001

0.51

0.712

DAG 32:1

C35 H66 O5

 

584.52533

9.58

0.000

0.47

0.816

PC 31:2

C39 H74 N O8 P

 

716.56000

8.60

0.000

0.18

0.993

DAG 34:1

C37 H70 O5

 

612.55823

10.01

0.002

0.46

0.745

DAG 36:3

C39 H70 O5

 

636.55676

9.69

0.002

0.50

0.759

PC 36:3

C44 H82 N O8 P

 

784.58606

8.13

0.019

3.49

0.950

DAG 40:7

C43 H70 O5

 

667.53107

9.45

0.017

0.31

0.730

PC 30:1

C38 H74 N O8 P

 

704.52200

8.57

0.000

0.03

1.000

PE 36:4

C41 H74 N O8 P

 

740.52350

8.75

0.013

0.51

0.738

LPC 17:0

C25 H52 N O7 P

 

510.35626

4.22

0.000

0.63

0.822

DAG 54:9

C59 H90 O6

 

895.67676

11.11

0.001

0.18

0.753

DAG 52:7

C57 H90 O6

 

871.67627

11.35

0.004

0.46

0.703

DAG 48:4

C51 H90 O6

 

816.70032

11.38

0.005

0.48

0.680

DAG 50:5

C53 H92 O6

 

842.72473

11.46

0.004

0.50

0.696

PC 35:2

C43 H82 N O8 P

 

772.58594

8.97

0.000

0.46

0.777

PC 36:6

C44 H76 N O8 P

 

778.53882

7.52

0.002

0.21

0.784

PC 41:8

C49 H82 N O8 P

 

844.62268

9.07

0.000

1.65

0.990

PC 18:1

C60 H94 O16

 

536.33563

1.10

0.000

0.61

0.739

TAG 53:3

C56 H102 O6

 

888.80316

12.97

0.001

0.56

0.724

TAG 40:8

C43 H68 O5

 

665.51434

9.04

0.004

0.40

0.734

PC 39:4

C47 H86 N O8 P

 

824.61963

9.37

0.000

0.64

0.756

PC 37:7

C45 H76 N O8 P

 

790.53979

7.81

0.000

0.21

0.977

PC 38:7

C46 H78 N O8 P

 

804.55463

7.89

0.049

0.50

0.699

PC 42:9

C50 H82 N O8 P

 

856.58630

8.22

0.000

0.48

0.881

LPC 19:0

C27 H56 N O7 P

 

538.38757

5.25

0.000

0.55

0.824

PC 39:6

C47 H82 N O8 P

 

820.58752

8.74

0.000

0.55

0.699

PC 37:3e

C45 H86 N O7 P

 

784.58527

9.39

0.008

0.64

0.714

PC 37:4

C46 H84 N O10 P

ESI-

840.57782

8.93

0.001

0.54

0.707

Docosahexaenoic acid

C22 H32 O2

 

327.23349

4.67

0.015

0.41

0.620

4-Dodecylbenzenesulfonic acid

C18 H30 O3 S

 

325.18488

2.64

0.000

0.04

1.000

(15Z)-9,12,13-Trihydroxy-15-Octadecenoic acid

C18 H34 O5

 

329.23358

0.92

0.012

0.54

0.765

  1. Fold change: the arithmetic mean values of peak intensity of CA/NR
  2. Abbreviations: AUC Area under the curve, RT Retention time, m/z Mass to charge ratio, DAG Diacylglycerol, TAG Triacylglycerol, LPC Lysophosphatidylcholine, PC Phosphatidylcholine, PE Phosphatidylethanolamine, Cer Ceramide, SM sphingomyelin
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