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Analytical methods

Comparative study #1
Chromatography LC
Ion source ESI
Positive/Negative mode positive
Mass analyzer triple quadrupole
Identification level MS/MS

Sample information

Comparative study #1
Country China
Specimen serum
Marker function diagnosis
Participants(Case) Cancer type lung cancer
Stage
Number40
Gender (M,F)14, 26
Mean age (range) (M,F)67
Smoking status
Participants(Control) Type healthy
Number100.0
Gender (M,F)
Mean age (range) (M,F)
Smoking status

Data processing and metabolite identification

Data processing software
Database search

Statistics and concentration information

Differential analysis method one‐way ANOVA
Classification method
Survival analysis method

Metabolites identified in the paper

Metabolite Comparative study Author-emphasized biomarkers Mean concentration (case) Mean concentration (control) Fold change (case/control) P-value FDR VIP
arginine V 224.94 ± 72.52 μmol/L 123.76 ± 43.14 μmol/L <0.0001
C14‐Carnitine V 0.04 ± 0.02 μmol/L 0.02 ± 0.02 μmol/L <0.0001
C16‐Carnitine V 0.38 ± 0.21 μmol/L 0.19 ± 0.08 μmol/L <0.0001
C3‐carnitine V 1.230 ± 0.72 μmol/L 0.58 ± 0.22 μmol/L <0.0001
C4‐carnitine V 0.54 ± 0.40 μmol/L 0.22 ± 0.10 μmol/L <0.0001
C5‐carnitine V 0.18 ± 0.09 μmol/L 0.10 ± 0.04 μmol/L <0.0001
citrulline V 23.41 ± 10.00 μmol/L 42.14 ± 12.77 μmol/L <0.0001
histidine V 122.48 ± 34.12 μmol/L 96.47 ± 20.59 μmol/L <0.0001
methionine V 21.02 ± 6.66 μmol/L 33.09 ± 6.38 μmol/L <0.0001
phenylalanine V 97.25 ± 31.82 μmol/L 68.00 ± 13.33 μmol/L <0.0001
tyrosine V 114.95 ± 35.17 μmol/L 88.03 ± 16.80 μmol/L <0.0001
valine V 136.60 ± 35.57 μmol/L 165.62 ± 28.08 μmol/L <0.0001
C6‐carnitine V 0.06 ± 0.09 μmol/L 0.06 ± 0.06 μmol/L 0.9906
C2‐carnitine V 8.52 ± 4.70 μmol/L 8.76 ± 2.94 μmol/L 0.714
alanine V 146.50 ± 53.53 μmol/L 141.98 ± 32.66 μmol/L 0.5434
glycine V 408.80 ± 107.40 μmol/L 420.01 ± 74.52 μmol/L 0.4824
C8‐carnitine V 0.06 ± 0.11 μmol/L 0.08 ± 0.09 μmol/L 0.3164
glutamate V 76.50 ± 21.56 μmol/L 87.55 ± 27.25 μmol/L 0.0234
leucine V 129.40 ± 35.12 μmol/L 116.60 ± 23.82 μmol/L 0.0141
ornithine V 197.29 ± 117.34 μmol/L 152.54 ± 64.60 μmol/L 0.0046
aspartate V 32.90 ± 11.01 μmol/L 48.33 ± 27.02 μmol/L 0.0006
Metabolite Comparative study Author-emphasized biomarkers Cutoff value AUROC (95%CI) Sensitivity (%) Specificity (%) Accuracy (%)
arginine V
C14‐Carnitine V
C16‐Carnitine V
C3‐carnitine V
C4‐carnitine V
C5‐carnitine V
citrulline V
histidine V
methionine V
phenylalanine V
tyrosine V
valine V
C6‐carnitine V
C2‐carnitine V
alanine V
glycine V
C8‐carnitine V
glutamate V
leucine V
ornithine V
aspartate V

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