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Analytical methods

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

Sample information

Comparative study #1 #2
Country China China
Specimen serum serum
Marker function diagnosis diagnosis
Participants(Case) Cancer type lung cancer NSCLC, SCLC
StageII, III, IV
Number4017
Gender (M,F)26, 1413, 4
Mean age (range) (M,F)66.7 (49-83)66.3 (53-77)
Smoking statusformer, current, non-smoker
Participants(Control) Type healthy healthy
Number10030
Gender (M,F)65, 3523, 7
Mean age (range) (M,F)64.1 (41-90)62.8 (34-85)
Smoking statusformer, current, non-smoker

Data processing and metabolite identification

Data processing software
Database search HMDB, KEGG, SMPDB

Statistical analysis

Differential analysis method Mann-Whitney U test, Student's t-test, Welch's F test
Classification method ROC 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
C14-carnitine 0.03 0.02 1.50 0.81
C14-carnitine 0.04 0.02 2.00 1.00e-03
C6-carnitine 0.05 0.04 1.25 0.73
C8-carnitine 0.06 0.06 1.00 0.38
C6-carnitine 0.06 0.04 1.50 0.29
C8-carnitine 0.06 0.05 1.20 3.00e-03
C5-carnitine 0.09 0.12 0.75 0.02
C5-carnitine 0.18 0.09 2.00 1.00e-03
C4-carnitine 0.27 0.27 1.00 0.06
C16-carnitine 0.28 0.25 1.12 0.08
C16-carnitine 0.38 0.17 2.24 1.00e-03
C4-carnitine 0.54 0.2 2.70 1.00e-03
C3-carnitine 0.77 0.77 1.00 0.43
C3-carnitine 1.3 0.55 2.36 1.00e-03
C2-carnitine 8.52 8.31 1.03 0.24
C2-carnitine 8.69 6.8 1.28 0.20
methionine V 21.02 32.55 0.65 1.00e-03
citrulline V 23.41 40.8 0.57 1.00e-03
methionine V 27.22 30.24 0.90 0.03
citrulline V 32 37.12 0.86 1.00e-02
histidine 84.06 104.19 0.81 3.00e-03
tyrosine 92.47 94.31 0.98 0.65
phenylalanine 95.76 102.74 0.93 0.26
phenylalanine 97.25 67.13 1.45 1.00e-03
leucine 101.11 120.3 0.84 1.00e-03
tyrosine 114.95 86.28 1.33 1.00e-03
histidine 122.48 98 1.25 1.00e-03
alanine 126.29 127.9 0.99 0.70
leucine 129.4 115.71 1.12 9.00e-03
valine V 136.6 165.03 0.83 1.00e-03
ornithine 139.6 133.13 1.05 0.82
arginine V 139.89 119.89 1.17 0.01
alanine 146.5 135.48 1.08 0.93
valine V 150.73 171.69 0.88 9.00e-03
ornithine 197.29 145.11 1.36 0.04
arginine V 224.94 119.51 1.88 1.00e-03
glycine 324.88 364.36 0.89 7.00e-03
glycine 408.8 407.44 1.00 0.60
Metabolite Author-emphasized biomarkers Cutoff value AUROC (95%CI) Sensitivity (%) Specificity (%) Accuracy (%)
C14-carnitine 0.52
C14-carnitine 0.761
C6-carnitine 0.471
C8-carnitine 0.425
C6-carnitine 0.444
C8-carnitine 0.34
C5-carnitine 0.285
C5-carnitine 0.818
C4-carnitine 0.338
C16-carnitine 0.644
C16-carnitine 0.858
C4-carnitine 0.879
C3-carnitine 0.432
C3-carnitine 0.869
C2-carnitine 0.437
C2-carnitine 0.609
methionine V 0.076
citrulline V 0.103
methionine V 0.316
citrulline V 0.277
histidine 0.242
tyrosine 0.481
phenylalanine 0.398
phenylalanine 0.841
leucine 0.25
tyrosine 0.766
histidine 0.754
alanine 0.467
leucine 0.642
valine V 0.183
ornithine 0.481
arginine V 0.716
alanine 0.505
valine V 0.299
ornithine 0.603
arginine V 0.907
glycine 0.267
glycine 0.467

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