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 |
Stage | – | II, III, IV | |
Number | 40 | 17 | |
Gender (M,F) | 26, 14 | 13, 4 | |
Mean age (range) (M,F) | 66.7 (49-83) | 66.3 (53-77) | |
Smoking status | – | former, current, non-smoker | |
Participants(Control) | Type | healthy | healthy |
Number | 100 | 30 | |
Gender (M,F) | 65, 35 | 23, 7 | |
Mean age (range) (M,F) | 64.1 (41-90) | 62.8 (34-85) | |
Smoking status | – | former, 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 | – |
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 | – | – | – |