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Analytical methods

Comparative study #1 #2 #3 #4
Chromatography LC LC GC GC
Ion source ESI ESI
Positive/Negative mode positive positive
Mass analyzer Q-TOF Q-TOF
Identification level

Sample information

Comparative study #1 #2 #3 #4
Country China China China China
Specimen serum serum serum serum
Marker function diagnosis diagnosis diagnosis diagnosis
Participants(Case) Cancer type adenocarcinoma, squamous cell carcinoma, large cell carcinoma adenocarcinoma, squamous cell carcinoma, large cell carcinoma adenocarcinoma, squamous cell carcinoma, large cell carcinoma adenocarcinoma, squamous cell carcinoma, large cell carcinoma
StageI, II, IIII, II, IIII, II, IIII, II, III
Number30303030
Gender (M,F)9, 219, 219, 219, 21
Mean age (range) (M,F)61.58 ± 10.6761.58 ± 10.6761.58 ± 10.6761.58 ± 10.67
Smoking status
Participants(Control) Type healthy before vs. after treatment (operation) healthy before vs. after treatment (operation)
Number30303030
Gender (M,F)11, 199, 2111, 199, 21
Mean age (range) (M,F)60.35 ± 12.4861.58 ± 10.6760.35 ± 12.4861.58 ± 10.67
Smoking status

Data processing and metabolite identification

Data processing software Mass Hunter Qualitative Analysis Software (Agilent Technologies)
Database search METLIN

Statistical analysis

Differential analysis method independent t-test
Classification method
Survival analysis method

Lung cancer-related metabolites identified in the paper

Metabolite Author-emphasized biomarkers Mean concentration (case) Mean concentration (control) Fold change (case/control) P-value FDR VIP
serine V 114.92 ± 89.30 183.48 ± 96.63 0.63 1.00e-03
serine V 114.92 ± 89.30 284.16 ± 184.76 0.40 1.00e-03
γ-linolenic acid V 1245.99 ± 595.41 500.34 ± 204.80 2.49 1.00e-03
γ-linolenic acid V 1245.99 ± 595.41 602.06 ± 226.28 2.07 1.00e-03
phosphorylcholine V 133.28 ± 75.49 72.70 ± 14.16 1.83 1.00e-03
phosphorylcholine V 133.28 ± 75.49 82.17 ± 28.31 1.62 1.00e-03
2,3,4-trihydroxybutyric acid V 24.63 ± 24.13 71.89 ± 30.60 0.34 1.00e-03
2,3,4-trihydroxybutyric acid V 24.63 ± 24.13 23.02 ± 14.47 1.07 1.00e-03
9,12-octadecadienoic acid V 24.90 ± 18.09 9.88 ± 5.79 2.52 1.00e-03
9,12-octadecadienoic acid V 24.90 ± 18.09 13.57 ± 9.30 1.83 1.00e-03
glycerophospho-N-arachidonoyl ethanolamine V 2722.76 ± 769.63 1355.53 ± 282.89 2.01 1.00e-03
glycerophospho-N-arachidonoyl ethanolamine V 2722.76 ± 769.63 1714.79 ± 399.47 1.59 1.00e-03
sphingosine V 53.33 ± 35.95 139.60 ± 38.75 0.38 1.00e-03
sphingosine V 53.33 ± 35.95 141.78 ± 42.42 0.38 1.00e-03
α-hydroxyisobutyric acid V 556.54 ± 220.00 306.84 ± 153.64 1.81 1.00e-03
α-hydroxyisobutyric acid V 556.54 ± 220.00 803.58 ± 329.41 0.69
oleic acid V 605.66 ± 361.44 244.99 ± 131.32 2.47 1.00e-03
oleic acid V 605.66 ± 361.44 346.58 ± 164.66 1.75 1.00e-03
prasterone sulfate V 71.99 ± 38.72 106.80 ± 31.70 0.67 1.00e-03
prasterone sulfate V 71.99 ± 38.72 50.93 ± 22.26 1.41
Metabolite Author-emphasized biomarkers Cutoff value AUROC (95%CI) Sensitivity (%) Specificity (%) Accuracy (%)
serine V 113.21 0.774 (0.645-0.904) 83.33 73.33
serine V 130.97 0.825 (0.721) 80 76.67
γ-linolenic acid V 805.17 0.889 (0.806-0.972) 76.67 93.33
γ-linolenic acid V 808.24 0.847 (0.744–0.949) 76.67 90
phosphorylcholine V 78.32 0.874 (0.780-0.969) 90 80
phosphorylcholine V 84.69 0.781 (0.666–0.896) 76.67 70
2,3,4-trihydroxybutyric acid V 45.87 0.88 (0.794-0.966) 86.67 83.33
2,3,4-trihydroxybutyric acid V
9,12-octadecadienoic acid V 13.56 0.704 (0.562-0.847) 66.67 83.33
9,12-octadecadienoic acid V 21.29 0.645 (0.499–0.791) 53.33 86.67
glycerophospho-N-arachidonoyl ethanolamine V 1752.6 0.983 (0.960-1.007) 96.67 90
glycerophospho-N-arachidonoyl ethanolamine V 1988.46 0.916 (0.847–0.984) 76.67 93.33
sphingosine V 102.76 0.957 (0.894-1.019) 90 96.67
sphingosine V 86.48 0.966 (0.911) 96.67 90
α-hydroxyisobutyric acid V 365.23 0.86 (0.764-0.956) 80 80
α-hydroxyisobutyric acid V
oleic acid V 402.22 0.749 (0.614-0.884) 70 86.67
oleic acid V 489.02 0.694 (0.550–0.838) 60 80
prasterone sulfate V 91.07 0.787 (0.670-0.905) 76.67 80
prasterone sulfate V

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