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Analytical methods

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

Sample information

Comparative study #1 #2
Country US US
Specimen lymph node aspirates lymph node aspirates
Marker function diagnosis diagnosis
Participants(Case) Cancer type adenocarcinoma, squamous cell carcinoma adenocarcinoma
StageII, III, IVII, III, IV
Number5031
Gender (M,F)31, 1917, 14
Mean age (range) (M,F)
Smoking status
Participants(Control) Type non-malignant squamous cell carcinoma
Number2919
Gender (M,F)15, 1414, 5
Mean age (range) (M,F)
Smoking status

Data processing and metabolite identification

Data processing software MassHunter, MassProfilerProfessional
Database search HMDB

Statistical analysis

Differential analysis method OPLS-DA, 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
reduced glutathione V 4.62 0.04
oxidized glutathione V 2.53 9.00e-04
oxidized glutathione V 1.57 0.17
reduced glutathione V 1.54 0.57
glutamate V 1.44 0.04
kynurenine V 1.36 0.14
glutamate V 1.10 0.74
tryptophan V 0.98 0.92
kynurenine V 0.97 0.92
glutamine V 0.92 0.70
glutamine V 0.69 7.60e-03
tryptophan V 0.59 2.70e-03
Metabolite Author-emphasized biomarkers Cutoff value AUROC (95%CI) Sensitivity (%) Specificity (%) Accuracy (%)
reduced glutathione V
oxidized glutathione V
oxidized glutathione V
reduced glutathione V
glutamate V
kynurenine V
glutamate V
tryptophan V
kynurenine V
glutamine V
glutamine V
tryptophan V

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