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Analytical methods

Comparative study #1
Chromatography GC
Ion source EI
Positive/Negative mode
Mass analyzer triple quadrupole
Identification level

Sample information

Comparative study #1
Country Pakistan
Specimen plasma
Marker function
Participants(Case) Cancer type adenocarcinoma, squamous cell carcinoma, SCLC, NSCLC, lung cancer
StageI, II, III
Number96
Gender (M,F)
Mean age (range) (M,F)
Smoking status
Participants(Control) Type healthy
Number384
Gender (M,F)
Mean age (range) (M,F)
Smoking status

Data processing and metabolite identification

Data processing software Agilent Mass Hunter Qualitative Analysis, Mass Hunter
Database search Wiley registry NIST 11, Fiehn RTL libraries

Statistical analysis

Differential analysis method one way ANOVA, Turkey’s honest Significance Difference
Classification method Hierarchical clustering, Partial Least Square Discrimination
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
palmitic acid 364785.79 1.00e-03
stearic acid 357826.32 1.00e-03
cholesterol 175648.29 1.00e-03
D-glucose 111939.52 1.00e-03
altrose 51519.47 1.00e-03
lactic acid 33086.84 1.00e-03
benzoic acid 30348.34 1.00e-03
octadecanoic acid 8233.16 1.00e-03
phosphoric acid 2669.46 1.00e-03
naphthalene 38.41 1.00e-03
1-propene 0.21 1.00e-03
Metabolite Author-emphasized biomarkers Cutoff value AUROC (95%CI) Sensitivity (%) Specificity (%) Accuracy (%)
palmitic acid 96.2 92 93.1
stearic acid 96.2 92 93.1
cholesterol 96.2 92 93.1
D-glucose 96.2 92 93.1
altrose 96.2 92 93.1
lactic acid 96.2 92 93.1
benzoic acid 96.2 92 93.1
octadecanoic acid 96.2 92 93.1
phosphoric acid 96.2 92 93.1
naphthalene 96.2 92 93.1
1-propene 96.2 92 93.1

Paper graphical summary