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Analytical methods

Comparative study #1
Chromatography flow infusion
Ion source
Positive/Negative mode
Mass analyzer QTRAP
Identification level MS/MS

Sample information

Comparative study #1
Country Poland
Specimen serum
Marker function diagnosis
Participants(Case) Cancer type adenocarcinoma, squamous cell carcinoma
StageI
Number20
Gender (M,F)11, 9
Mean age (range) (M,F)62 ± 5
Smoking statussmoker, non-smoker
Participants(Control) Type noncancerous lung diseases
Number20
Gender (M,F)8, 16
Mean age (range) (M,F)63 ± 6
Smoking statussmoker, non-smoker

Data processing and metabolite identification

Data processing software Analyst
Database search

Statistical analysis

Differential analysis method Wilcoxon rank-sum test
Classification method ROC analysis
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
phosphatidylcholine diacyl C40:2 V 0.24 ± 0.09 0.15 ± 0.04 1.88 3.81e-03 0.05
lysophosphatidylcholine acyl C26:1 V 0.28 ± 0.07 0.18 ± 0.06 1.52 8.30e-04 0.04
phosphatidylcholine diacyl C42:4 V 0.46 ± 0.22 0.26 ± 0.12 1.79 1.74e-03 0.05
phosphatidylcholine acyl-alkyl C44:3 V 0.52 ± 0.21 0.33 ± 0.11 1.58 3.22e-03 0.05
lysophosphatidylcholine acyl C26:0 V 0.53 ± 0.14 0.31 ± 0.14 1.71 1.10e-04 0.01
phosphatidylcholine acyl-alkyl C42:1 V 0.69 ± 0.14 0.53 ± 0.13 1.57 2.73e-03 0.05
phosphatidylcholine diacyl C34:4 V 0.93 ± 0.40 1.44 ± 0.43 0.65 1.62e-03 0.05
Metabolite Author-emphasized biomarkers Cutoff value AUROC (95%CI) Sensitivity (%) Specificity (%) Accuracy (%)
phosphatidylcholine diacyl C40:2 V 0.80 (0.64-0.92)
lysophosphatidylcholine acyl C26:1 V 0.84 (0.68-0.95)
phosphatidylcholine diacyl C42:4 V 0.81 (0.65-0.93)
phosphatidylcholine acyl-alkyl C44:3 V 0.80 (0.62-0.92)
lysophosphatidylcholine acyl C26:0 V 0.87 (0.73-0.96)
phosphatidylcholine acyl-alkyl C42:1 V 0.80 (0.64-0.94)
phosphatidylcholine diacyl C34:4 V 0.82 (0.65-0.94)

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