Analytical methods | ||||
---|---|---|---|---|
Comparative study | #1 | #2 | #3 | |
Chromatography | LC | LC | LC | |
Ion source | ESI | APCI | APPI | |
Positive/Negative mode | positive | positive | positive | |
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 | urine | urine | urine | |
Marker function | diagnosis | diagnosis | diagnosis | |
Participants(Case) | Cancer type | squamous cell carcinoma, adenocarcinoma, SCLC | squamous cell carcinoma, adenocarcinoma, SCLC | squamous cell carcinoma, adenocarcinoma, SCLC |
Stage | – | – | – | |
Number | 19 | 19 | 19 | |
Gender (M,F) | – | – | – | |
Mean age (range) (M,F) | 61 ± 8.4 | 61 ± 8.4 | 61 ± 8.4 | |
Smoking status | – | – | – | |
Participants(Control) | Type | healthy | healthy | healthy |
Number | 22 | 22 | 22 | |
Gender (M,F) | – | – | – | |
Mean age (range) (M,F) | – | – | – | |
Smoking status | – | – | – |
Data processing and metabolite identification | |
---|---|
Data processing software | MZmine 2 beta |
Database search | HMDB, PubChem compound database, METLIN, KEGG |
Statistical analysis | |
---|---|
Differential analysis method | independent t-test |
Classification method | – |
Survival analysis method | – |
Metabolite | Author-emphasized biomarkers | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
---|---|---|---|---|---|---|---|
phenylalanine | – | – | – | – | 0.02 | – | – |
succinyladenosine | – | – | – | – | 0.02 | – | – |
tryptophan | – | – | – | – | 0.01 | – | – |
5’-methylthioadenosine | – | – | – | – | 5.10e-03 | – | – |
threonylcarbonyl adenosine | – | – | – | – | 5.10e-03 | – | – |
dimethylguanosine | – | – | – | – | 4.90e-03 | – | – |
phenylalanine | – | – | – | – | 4.80e-03 | – | – |
dimethylarginine | – | – | – | – | 2.80e-03 | – | – |
tyrosine | – | – | – | – | 1.50e-03 | – | – |
5,6-dihydrouridine | – | – | – | – | 8.50e-04 | – | – |
N6,N6,N6-trimethyl-L-lysine | – | – | – | – | 7.60e-04 | – | – |
tyrosine | – | – | – | – | 7.30e-04 | – | – |
indoxyl | – | – | – | – | 7.10e-04 | – | – |
tryptophan | – | – | – | – | 6.50e-04 | – | – |
Metabolite | Author-emphasized biomarkers | Cutoff value | AUROC (95%CI) | Sensitivity (%) | Specificity (%) | Accuracy (%) |
---|---|---|---|---|---|---|
phenylalanine | – | – | – | – | – | – |
succinyladenosine | – | – | – | – | – | – |
tryptophan | – | – | – | – | – | – |
5’-methylthioadenosine | – | – | – | – | – | – |
threonylcarbonyl adenosine | – | – | – | – | – | – |
dimethylguanosine | – | – | – | – | – | – |
phenylalanine | – | – | – | – | – | – |
dimethylarginine | – | – | – | – | – | – |
tyrosine | – | – | – | – | – | – |
5,6-dihydrouridine | – | – | – | – | – | – |
N6,N6,N6-trimethyl-L-lysine | – | – | – | – | – | – |
tyrosine | – | – | – | – | – | – |
indoxyl | – | – | – | – | – | – |
tryptophan | – | – | – | – | – | – |