Analytical methods | ||
|---|---|---|
| Comparative study | #1 | |
| Chromatography | LC | |
| Ion source | ESI | |
| Positive/Negative mode | positive | |
| Mass analyzer | QTRAP | |
| Identification level | MS/MS | |
Sample information | ||
|---|---|---|
| Comparative study | #1 | |
| Country | China | |
| Specimen | urine | |
| Marker function | diagnosis | |
| Participants(Case) | Cancer type | adenocarcinoma, squamous cell carcinoma |
| Stage | – | |
| Number | 35 | |
| Gender (M,F) | 23, 12 | |
| Mean age (range) (M,F) | 61.8 ± 13.3, 57.4 ± 9.8 | |
| Smoking status | – | |
| Participants(Control) | Type | healthy |
| Number | 32 | |
| Gender (M,F) | 27, 5 | |
| Mean age (range) (M,F) | 57.1 ± 9.9, 45.6 ± 10.8 | |
| Smoking status | – | |
Data processing and metabolite identification | |
|---|---|
| Data processing software | MarkerView |
| Database search | HMDB, KEGG, Pubchem, mass bank |
Statistical analysis | |
|---|---|
| Differential analysis method | OSC PLS-DA |
| Classification method | – |
| Survival analysis method | – |
| Metabolite | Author-emphasized biomarkers | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
|---|---|---|---|---|---|---|---|
| betaine | – | – | – | 106.60 | – | – | 2.61 |
| phenylalanine | – | – | – | 17.50 | – | – | 2.58 |
| 3-hexaprenyl-4-hydroxy-5-methoxybenzoic acid | – | – | – | 12.40 | – | – | 3.11 |
| proline betaine | – | – | – | 4.10 | – | – | 5.47 |
| carnitine | – | – | – | 3.70 | – | – | 1.79 |
| taurine | – | – | – | 2.20 | – | – | 3.81 |
| pipecolic acid | – | – | – | 2.00 | – | – | 3.52 |
| α-N-phenylacetyl-L-glutamine | – | – | – | 2.00 | – | – | 2.06 |
| hippuric acid | – | – | – | 1.90 | – | – | 1.87 |
| valine | – | – | – | 1.80 | – | – | 1.47 |
| leucylproline | – | – | – | 1.50 | – | – | 1.89 |
| Metabolite | Author-emphasized biomarkers | Cutoff value | AUROC (95%CI) | Sensitivity (%) | Specificity (%) | Accuracy (%) |
|---|---|---|---|---|---|---|
| betaine | – | – | – | – | – | – |
| phenylalanine | – | – | – | – | – | – |
| 3-hexaprenyl-4-hydroxy-5-methoxybenzoic acid | – | – | – | – | – | – |
| proline betaine | – | – | – | – | – | – |
| carnitine | – | – | – | – | – | – |
| taurine | – | – | – | – | – | – |
| pipecolic acid | – | – | – | – | – | – |
| α-N-phenylacetyl-L-glutamine | – | – | – | – | – | – |
| hippuric acid | – | – | – | – | – | – |
| valine | – | – | – | – | – | – |
| leucylproline | – | – | – | – | – | – |