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Analytical methods

Comparative study #1 #2 #3
Chromatography LC LC LC
Ion source
Positive/Negative mode positive negative both
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 serum serum serum
Marker function diagnosis diagnosis diagnosis
Participants(Case) Cancer type SCLC, NSCLC SCLC, NSCLC SCLC, NSCLC
Stage
Number232323
Gender (M,F)12, 1112, 1112, 11
Mean age (range) (M,F)63.0 ± 9.8 / 59.4 ± 5.863.0 ± 9.8 / 59.4 ± 5.863.0 ± 9.8 / 59.4 ± 5.8
Smoking status
Participants(Control) Type healthy healthy healthy
Number232323
Gender (M,F)11, 1211, 1211, 12
Mean age (range) (M,F)51.0 ± 11.1 / 56.3 ± 14.351.0 ± 11.1 / 56.3 ± 14.351.0 ± 11.1 / 56.3 ± 14.3
Smoking status

Data processing and metabolite identification

Data processing software MarkerLynx
Database search METLIN, HMDB, KEGG

Statistical analysis

Differential analysis method PCA, PLS-DA, OSC-PLS-DA, student’s t-test
Classification method ROC curve 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
1-arachidonoyl glycerol 0.05 1.50
arachidonic acid 0.05 1.50
carnitine 10:1 0.05 1.40
carnitine 8:1 0.05 1.10
choline V 0.05 1.20
DG (38:8) 0.05 3.20
fatty acid amide C20:0 0.05 1.70
fatty acid amide C20:1 0.05 3.90
fatty acid amide C22:1 0.05 1.30
fatty acid amide C22:2 0.05 1.30
fatty acid amide C24:1 0.05 8.70
linoleic acid V 0.05 6.30
LPC(16:0) 0.05 8.60
LPC 16:0 isomer 0.05 3.70
LPC(18:0) 0.05 6.30
LPC(18:2) 0.05 6.40
LPC(20:4) 0.05 2.40
LPC(20:5) 0.05 2.30
LPC(22:3) 0.05 1.40
LPC C16 1 0.05 1.30
LPC C20 3 0.05 1.10
oleic acid 0.05 7.40
palmitic acid 0.05 6.00
palmitoleic acid 0.05 1.50
SM(d18:1/14:0) 0.05 1.60
stearic acid 0.05 2.60
Metabolite Author-emphasized biomarkers Cutoff value AUROC (95%CI) Sensitivity (%) Specificity (%) Accuracy (%)
1-arachidonoyl glycerol
arachidonic acid
carnitine 10:1
carnitine 8:1
choline V choline+linoleic acid=1 1 0.96
DG (38:8)
fatty acid amide C20:0
fatty acid amide C20:1
fatty acid amide C22:1
fatty acid amide C22:2
fatty acid amide C24:1
linoleic acid V choline+linoleic acid=1 1 0.96
LPC(16:0)
LPC 16:0 isomer
LPC(18:0)
LPC(18:2)
LPC(20:4)
LPC(20:5)
LPC(22:3)
LPC C16 1
LPC C20 3
oleic acid
palmitic acid
palmitoleic acid
SM(d18:1/14:0)
stearic acid

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