Showing paper detailed information


Citation Information


Analytical methods

Comparative study #1 #2
Chromatography DI DI
Ion source ESI ESI
Positive/Negative mode negative positive
Mass analyzer Q-TOF Q-TOF
Identification level MS/MS MS/MS

Sample information

Comparative study #1 #2
Country Spain Spain
Specimen blood blood
Marker function diagnosis diagnosis
Participants(Case) Cancer type NSCLC, SCLC NSCLC, SCLC
StageII, III, IVII, III, IV
Number3030
Gender (M,F)25, 525, 5
Mean age (range) (M,F) 67 ± 12 67 ± 12
Smoking statusformer, current, non-smokerformer, current, non-smoker
Participants(Control) Type healthy healthy
Number3030
Gender (M,F)14, 1614, 16
Mean age (range) (M,F)56 ± 1456 ± 14
Smoking statusformer, non-smokerformer, non-smoker

Data processing and metabolite identification

Data processing software
Database search HMDB, Metlin

Statistical analysis

Differential analysis method PCA, PLS-DA, one-way ANOVA
Classification method ROC curve
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
PC(18:1/20:3) 3.16 0.01 1.73
inosine 3.14 1.00e-04 2.89
PC(18:0/22:6) 2.99 1.00e-03 1.67
adenosine 2.86 0.03 1.81
propionylcarnitine 2.55 1.50e-03 1.51
butyryl-carnitine 2.28 0.04 1.26
palmitoleic acid 1.97 1.60e-03 1.39
xanthine 1.86 0.02 1.83
pentanoyl-carrnitine 1.81 0.03 2.30
TAG(16:0/18:2/22:6) 1.69 1.40e-03 1.30
oleic acid 1.68 0.01 1.48
PC(16:0/18:0) 1.67 0.01 1.17
TAG(16:0/16:0/18:2) 1.67 1.00e-04 1.21
TAG(18:2/18:2/18:1) 1.66 1.00e-03 1.22
LPC(16:0) 1.66 5.00e-04 1.01
TAG(14:0/16:0/18:1) 1.62 1.30e-03 1.16
glucose 1.62 5.00e-04 1.73
stearic acid 1.57 0.01 1.14
PC(18:2/18:2) 1.52 2.00e-04 1.11
TAG(18:2/18:2/18:2) 1.51 5.00e-04 1.38
PC(16:0/20:5) 1.50 2.00e-04 1.01
choline 1.49 6.00e-04 1.20
TAG(16:0/16:0/16:0) 1.45 3.00e-04 1.10
carnitine 1.44 2.00e-04 2.11
TAG(16:0/18:1/18:1) 1.43 1.70e-03 1.12
PC(16:0/18:3) 1.43 4.00e-04 1.10
PC(16:0/16:0) 1.43 3.00e-04 1.25
PC(16:0/16:1) 1.43 2.00e-04 1.40
TAG(16:0/16:0/18:1) 1.43 1.00e-04 1.39
threonine 1.43 1.00e-04 2.15
TAG(18:3/18:2/18:2) 1.40 1.10e-03 1.07
phosphocholine 1.40 1.00e-04 1.81
LPC(18:0) 1.38 0.02 1.14
acetic acid 1.36 3.00e-03 1.27
glutamate 1.35 2.00e-04 1.35
TAG(16:0/18:2/18:2) 1.35 1.00e-04 1.01
docosatetraenoic acid 1.34 4.00e-03 1.68
creatine 1.33 1.20e-03 1.89
DAG(18:3/18:1) 1.32 0.01 1.12
docopentaenoic acid 1.32 0.01 1.44
aspartic acid 1.32 4.00e-03 1.02
adenine 1.10 5.00e-03 1.35
phosphoethanolamine 0.77 2.10e-03 1.01
docohexaenoic acid 0.72 0.03 1.43
tyrosine 0.66 1.30e-03 1.55
phenylalanine 0.56 0.01 2.07
glutathione 0.48 1.40e-03 1.64
Metabolite Author-emphasized biomarkers Cutoff value AUROC (95%CI) Sensitivity (%) Specificity (%) Accuracy (%)
PC(18:1/20:3) 0.51
inosine 0.69
PC(18:0/22:6) 0.61
adenosine 0.65
propionylcarnitine 0.57
butyryl-carnitine 0.66
palmitoleic acid 0.62
xanthine 0.52
pentanoyl-carrnitine 0.61
TAG(16:0/18:2/22:6) 0.61
oleic acid 0.64
PC(16:0/18:0) 0.67
TAG(16:0/16:0/18:2) 0.66
TAG(18:2/18:2/18:1) 0.55
LPC(16:0) 0.72
TAG(14:0/16:0/18:1) 0.63
glucose 0.65
stearic acid 0.55
PC(18:2/18:2) 0.62
TAG(18:2/18:2/18:2) 0.72
PC(16:0/20:5) 0.72
choline 0.66
TAG(16:0/16:0/16:0) 0.64
carnitine 0.73
TAG(16:0/18:1/18:1) 0.67
PC(16:0/18:3) 0.65
PC(16:0/16:0) 0.68
PC(16:0/16:1) 0.74
TAG(16:0/16:0/18:1) 0.72
threonine 0.76
TAG(18:3/18:2/18:2) 0.69
phosphocholine 0.71
LPC(18:0) 0.64
acetic acid 0.54
glutamate 0.71
TAG(16:0/18:2/18:2) 0.6
docosatetraenoic acid 0.55
creatine 0.7
DAG(18:3/18:1) 0.65
docopentaenoic acid 0.53
aspartic acid 0.53
adenine 0.58
phosphoethanolamine 0.74
docohexaenoic acid 0.65
tyrosine 0.73
phenylalanine 0.65
glutathione 0.6

Paper graphical summary