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Analytical methods

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

Sample information

Comparative study #1 #2 #3
Country China China China
Specimen urine urine urine
Marker function diagnosis diagnosis diagnosis
Participants(Case) Cancer type squamous cell carcinoma, adenocarcinoma, SCLC squamous cell carcinoma, adenocarcinoma, SCLC squamous cell carcinoma, adenocarcinoma, SCLC
Stage
Number191919
Gender (M,F)
Mean age (range) (M,F)61 ± 8.461 ± 8.461 ± 8.4
Smoking status
Participants(Control) Type healthy healthy healthy
Number222222
Gender (M,F)
Mean age (range) (M,F)
Smoking status

Data processing and metabolite identification

Data processing software MZmine 2 beta
Database search HMDB, PubChem compound database, METLIN, KEGG

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
phenylalanine 0.02
succinyladenosine 0.02
tryptophan 0.01
5’-methylthioadenosine 5.10e-03
threonylcarbonyl adenosine 5.10e-03
dimethylguanosine 4.90e-03
phenylalanine 4.80e-03
dimethylarginine 2.80e-03
tyrosine 1.50e-03
5,6-dihydrouridine 8.50e-04
N6,N6,N6-trimethyl-L-lysine 7.60e-04
tyrosine 7.30e-04
indoxyl 7.10e-04
tryptophan 6.50e-04
Metabolite Author-emphasized biomarkers Cutoff value AUROC (95%CI) Sensitivity (%) Specificity (%) Accuracy (%)
phenylalanine
succinyladenosine
tryptophan
5’-methylthioadenosine
threonylcarbonyl adenosine
dimethylguanosine
phenylalanine
dimethylarginine
tyrosine
5,6-dihydrouridine
N6,N6,N6-trimethyl-L-lysine
tyrosine
indoxyl
tryptophan

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