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Citation Information


Analytical methods

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

Sample information

Comparative study #1
Country Italy
Specimen exhaled breath (air)
Marker function
Participants(Case) Cancer type adenocarcinoma, squamous cell carcinoma
Stage
Number20
Gender (M,F)13, 7
Mean age (range) (M,F)67 ± 9
Smoking statusformer, current, non-smoker
Participants(Control) Type other lung diseases
Number10
Gender (M,F)4, 6
Mean age (range) (M,F)64 ± 7
Smoking statusformer, current, non-smoker

Data processing and metabolite identification

Data processing software GC-MS solutions software
Database search NIST 127, NIST 147

Statistical analysis

Differential analysis method Kruskal-Wallis rank test, PLS-DA
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
1-decanol, 2-methyl- V 0.96
octane, 2,2,6-trimethyl- V 0.94
decane, 3,7-dimethyl- V 0.91
2-butanone V 0.89
1-hexanol, 2-ethyl- V 0.89
undecane V 0.83
pentane, 1-(1-ethoxyethoxy)- V 0.79
4-heptanone V 0.70
acetic acid, (acetyloxy)- V 0.62
bicyclo[3.1.0]hexane, 4-methyl-1-(1-methylethyl)-, didehydro deriv V 0.42
cyclohexanone V 0.41
thiophene V 0.32
thymol V 0.28
ethanol V 0.23
hexanal, 2,2-dimethyl- V 0.07
butanoic acid, ethyl ester V 0.07
butane, 1,1-diethoxy-3-methyl- V 0.04
Metabolite Author-emphasized biomarkers Cutoff value AUROC (95%CI) Sensitivity (%) Specificity (%) Accuracy (%)
1-decanol, 2-methyl- V
octane, 2,2,6-trimethyl- V
decane, 3,7-dimethyl- V
2-butanone V
1-hexanol, 2-ethyl- V
undecane V
pentane, 1-(1-ethoxyethoxy)- V
4-heptanone V
acetic acid, (acetyloxy)- V
bicyclo[3.1.0]hexane, 4-methyl-1-(1-methylethyl)-, didehydro deriv V
cyclohexanone V
thiophene V
thymol V
ethanol V
hexanal, 2,2-dimethyl- V
butanoic acid, ethyl ester V
butane, 1,1-diethoxy-3-methyl- V

Paper graphical summary