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Table 3 Detailed information of potential biomarkers from QDYD syndrome lung cancer patients compared to healthy volunteers

From: Integrated DIA proteomics and lipidomics analysis on non-small cell lung cancer patients with TCM syndromes

No.

m/z

t(R)

Identification

Quasi-molecular ion

Formula

VIP

FC1

FC2

AUC

Trend

1

494.3244

2.5

LPC (16:1)

[M  +  H]+

C24H48NO7P

1.47

0.64*

1.64#

0.81

↓

2

454.2926

3.8

LPE (16:0)

[M  +  H]+

C21H44NO7P

1.21

4.31**

0.44##

0.98

↑

3

730.5377

9.6

PC (14:0/18:2)

[M  +  H]+

C40H76NO8P

2.72

0.47**

1.21

0.94

↓

4

746.5686

10.6

PC (16:0/17:1)

[M  +  H]+

C41H80NO8P

1.13

1.64**

0.78

0.88

↑

5

780.5517

11.2

PC (16:0/18:2)

[M  +  Na]+

C42H80NO8P

1.65

2.45**

0.60##

1.00

↑

6

774.6002

11.5

PC (17:0/18:1)

[M  +  H]+

C43H84NO8P

1.56

1.54*

0.8

0.84

↑

7

782.5670

11

PC (18:1/16:0)

[M  +  Na]+

C42H82NO8P

1.61

1.91**

0.64##

0.98

↑

8

794.5983

9.9

PC (P-18:0/20:4)

[M  +  H]+

C46H84NO7P

1.11

38.44**

0.17#

0.91

↑

9

806.5673

10.6

PC (16:0/20:3)

[M  +  Na]+

C44H82NO8P

1.83

1.89**

0.62##

1.00

↑

10

808.5820

11.4

PC (18:2/18:0)

[M  +  Na]+

C44H84NO8P

1.86

1.93**

0.64##

1.00

↑

11

810.5980

12.1

PC (18:1/18:0)

[M  +  Na]+

C44H86NO8P

1.72

1.94**

0.62##

0.98

↑

12

828.5514

10

PC (16:0/22:6)

[M  +  Na]+

C46H80NO8P

1.51

1.73**

0.66##

1.00

↑

13

830.5652

10.3

PC (18:1/20:4)

[M  +  Na]+

C46H82NO8P

1.41

3.55**

0.29##

1.00

↑

14

832.5827

11.2

PC (20:4/18:0)

[M  +  Na]+

C46H84NO8P

1.19

2.56**

0.56#

0.94

↑

15

834.5987

11.5

PC (20:3/18:0)

[M  +  Na]+

C46H86NO8P

1.23

1.62**

0.62##

0.94

↑

16

716.5232

10.6

PE (16:0/18:2)

[M  +  H]+

C39H74NO8P

1.79

2.80**

0.66

0.93

↑

17

740.5218

10.5

PE (16:0/20:4)

[M  +  H]+

C41H74NO8P

1.75

3.15**

0.50#

0.95

↑

18

764.5227

10.3

PE (16:0/22:6)

[M  +  H]+

C43H74NO8P

1.41

3.32**

0.56

0.95

↑

19

768.5534

11.4

PE (18:0/20:4)

[M  +  H]+

C43H78NO8P

2.87

2.31**

0.71

0.84

↑

20

703.5732

10.1

SM (d18:1/16:0)

[M  +  H]+

C39H79N2O6P

9.05

0.72**

1.59##

0.94

↓

21

733.6212

11.4

SM (d36:0)

[M  +  H]+

C41H85N2O6P

1.16

2.03*

0.7

0.74

↑

22

787.6683

13.2

SM (d18:1/22:0)

[M  +  H]+

C45H91N2O6P

6.45

0.64*

1.24

0.76

↓

23

801.6831

13.9

SM (d18:1/23:0)

[M  +  H]+

C46H93N2O6P

3.51

0.58*

1.15

0.73

↓

24

815.7001

14.4

SM (d18:1/24:0)

[M  +  H]+

C47H95N2O6P

6.42

0.55*

1.18

0.73

↓

25

817.6405

9.8

SM (d39:1)

[M  +  HCOO]−

C44H89N2O6P

1.42

0.10**

3.05

0.88

↓

26

829.6400

9.5

SM (d40:2)

[M  +  HCOO]−

C45H89N2O6P

1.39

0.36**

0.48

0.90

↓

27

833.6502

12.2

SM (d18:2/24:1)

[M  +  Na]+

C47H91N2O6P

1.61

2.30**

0.65##

1.00

↑

28

843.6582

9.9

SM (d41:2)

[M  +  HCOO]−

C46H91N2O6P

1.33

0.38**

1.35

0.90

↓

29

591.4952

13.1

DG (16:0/18:3)

[M  +  H]+

C37H66O5

1.62

1.72**

0.58#

0.93

↑

30

607.5652

15.6

DG (18:0/18:0)

[M  +  H–H2O]+

C39H76O5

2.96

1.83**

0.48##

0.98

↑

31

619.5262

14.3

DG (16:0/18:0)

[M  +  Na]+

C37H72O5

2.62

1.93**

0.63##

0.91

↑

32

641.5107

12.4

DG (18:1/18:2)

[M  +  Na]+

C39H70O5

1.63

1.89**

0.7

0.89

↑

33

643.5260

13.3

DG (18:1/18:1)

[M  +  Na]+

C39H72O5

1.28

6.41**

0.59

0.85

↑

34

836.7693

18.6

TG (15:0/16:0/18:1)

[M  +  NH4]+

C52H98O6

1.06

2.95**

0.67

0.93

↑

35

855.7433

18.3

TG (16:0/18:1/18:3)

[M  +  H]+

C55H98O6

1.81

2.55**

0.44##

0.99

↑

36

862.7854

18.6

TG (16:0/17:1/18:1)

[M  +  NH4]+

C54H100O6

2.03

2.96**

0.67

0.96

↑

37

864.8012

18.9

TG (16:0/17:0/18:1)

[M  +  NH4]+

C54H102O6

1.6

2.68**

0.75

0.96

↑

38

881.7579

18.7

TG (16:0/18:1/20:4)

[M  +  H]+

C57H100O6

2.53

2.52**

0.59##

1.00

↑

39

883.7702

19

TG (16:0/18:1/20:3)

[M  +  H]+

C57H102O6

1.99

5.56**

0.36##

1.00

↑

40

888.8010

18.6

TG (17:0/18:1/18:2)

[M  +  NH4]+

C56H102O6

2

2.21**

0.61

0.99

↑

41

890.8145

18.9

TG (17:0/18:1/18:1)

[M  +  NH4]+

C56H104O6

2.28

2.55**

0.78

0.96

↑

42

909.7853

19

TG (18:0/18:1/18:1)

[M  +  Na]+

C57H106O6

1.68

4.76**

0.53##

1.00

↑

43

930.8466

19

TG (18:1/18:1/20:1)

[M  +  NH4]+

C59H108O6

1.5

2.27**

0.69

0.91

↑

44

932.8636

19.2

TG (16:0/18:1/22:1)

[M  +  NH4]+

C59H110O6

1.21

2.46**

0.57

0.86

↑

45

950.8130

18.4

TG (18:1/18:1/22:5)

[M  +  NH4]+

C61H104O6

1.41

2.15*

0.55

0.76

↑

46

952.8320

18.6

TG (18:1/18:1/22:4)

[M  +  NH4]+

C61H106O6

1.28

3.22**

0.41##

0.93

↑

47

960.8935

19.5

TG (18:1/18:1/22:0)

[M  +  NH4]+

C61H114O6

1.14

4.63**

0.33#

0.94

↑

48

630.6178

14.6

Cer (d18:1/24:1)

[M  +  H–H2O]+

C42H81NO3

1.04

2.16**

0.69

0.93

↑

49

369.3521

10.3

Cholesterol

[M  +  H–H2O]+

C27H46O

1.02

1.99**

0.48##

1.00

↑

  1. QDYD for whom suffered Qi deficiency and Yin deficiency; FC1 the ion intensity ratio of potential biomarkers from QDYD/healthy volunteers by using the developed UHPLC-Q-TOF/MS method; FC2 the ion intensity ratio of potential biomarkers from QDYD-Treatment/QDYD by using the developed UHPLC-Q-TOF/MS method, QDYD-Treatment for whom suffered Qi deficiency and Yin deficiency and treated by Kangai Injection
  2. *p  < 0.05 and **p  < 0.01, QDLS vs. H group; #p  < 0.05 and ##p  < 0.01, QDYD-Treatment vs. QDYD group
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