Showing paper detailed information

Citation Information


Analytical methods
Comparative study #1
Chromatography GC
Ion source EI
Positive/Negative mode –
Mass analyzer TOF
Identification level –

Sample information
Comparative study #1
Country US
Specimen tissue
Marker function diagnosis
Participants(Case) Cancer type adenocarcinoma
StageI
Number39
Gender (M,F)15, 24
Mean age (range) (M,F)72.33 ± 8.78
Smoking statussmoker, non-smoker
Participants(Control) Type tumor vs. adjacent normal tissue
Number39.0
Gender (M,F)15, 24
Mean age (range) (M,F)72.33 ± 8.78
Smoking statussmoker, non-smoker

Data processing and metabolite identification
Data processing software BinBase
Database search NIST11, BinBase

Statistics and concentration information
Differential analysis method OPLS-DA
Classification method –
Survival analysis method –

Metabolites identified in the paper

Metabolite Comparative study Author-emphasized biomarkers Mean concentration (case) Mean concentration (control) Fold change (case/control) P-value FDR VIP
1,5-anhydroglucitol – – – – 1.2 – 0.037 –
1-hexadecanol – – – – 1 – 0.441 –
1-monopalmitin – – – – 1.1 – 0.047 –
1-monostearin – – – – 1.2 – 0.047 –
238267 trisaccharide – – – – 1.6 – 0.177 –
2-aminoadipic acid – – – – 1.1 – 0.77 –
2-hydroxybutanoic acid – – – – 1.1 – 0.178 –
2-hydroxyglutaric acid – – – – 1.7 – 0.003 –
2-ketoisocaproic acid – – – – 1.2 – 0.285 –
2-monoolein – – – – 1.1 – 0.361 –
2-monopalmitin – – – – 1.2 – 0.129 –
2-phenylpropanol – – – – 1.3 – 0.052 –
3-aminoisobutyric acid – – – – 1.1 – 0.275 –
3-hydroxybutanoic acid – – – – 1.1 – 0.523 –
3-phenyllactic acid – – – – 1.4 – 0.152 –
3-phosphoglycerate – – – – 2.2 – 0.001 –
4-hydroxybutyric acid – – – – 1.3 – 0.004 –
4-hydroxyproline – – – – 1.7 – 0.47 –
5,6-dihydrouracil – V – – 2.4 – 0.00000024 –
5-aminovaleric acid – – – – 1.6 – 0.313 –
5'-deoxy-5'-methylthioadenosine – V – – 1.8 – 0.000065 –
5-hydroxynorvaline – – – – 1.1 – 0.457 –
5-methoxytryptamine – – – – 1.1 – 0.725 –
acetophenone – – – – 1.3 – 0.178 –
adenine – – – – 1.5 – 0.00037 –
adenosine – – – – 1.3 – 0.057 –
adenosine-5-phosphate – – – – 2.5 – 0.001 –
adipic acid – – – – 1.3 – 0.163 –
alanine – – – – 1.2 – 0.013 –
allantoic acid – – – – 1.6 – 0.005 –
allo-inositol – – – – 1.1 – 0.19 –
alpha-ketoglutaric acid – – – – 1 – 0.845 –
alpha-tocopherol – V – – 2.2 – 0.00000041 –
aminomalonic acid – – – – 1.3 – 0.03 –
arabinose – – – – 1.3 – 0.00045 –
arabitol – – – – 1.4 – 0.003 –
arachidic acid – – – – 3.5 – 0.136 –
arachidonic acid – – – – 1.5 – 0.007 –
ascorbic acid – – – – 1.6 – 0.739 –
asparagine – – – – 1.2 – 0.18 –
aspartic acid – – – – 1 – 0.644 –
azelaic acid – – – – 1.2 – 0.178 –
behenic acid – – – – 1 – 0.644 –
benzoic acid – – – – 1.1 – 0.039 –
beta-alanine – – – – 1.1 – 0.375 –
biuret – – – – 1.6 – 0.002 –
capric acid – – – – 1.2 – 0.004 –
caprylic acid – – – – 1.3 – 0.002 –
cellobiotol – – – – 1.6 – 0.443 –
cholesterol – – – – 1 – 0.655 –
citric acid – – – – 1.6 – 0.007 –
citrulline – – – – 1.5 – 0.004 –
conduritol-beta-epoxide – – – – 1 – 0.694 –
creatinine – – – – 1.4 – 0.011 –
cysteine – – – – 1.6 – 0.003 –
cysteine-glycine – – – – 1.2 – 0.097 –
cystine – – – – 1.3 – 0.178 –
cytidine-5-diphosphate – – – – 1 – 0.926 –
cytidine-5-monophosphate – – – – 1.8 – 0.001 –
digalacturonic acid – – – – 1.3 – 0.47 –
dihydroabietic acid – – – – 1.1 – 0.873 –
dihydrosphingosine – – – – 1.5 – 0.00054 –
dodecane – – – – 1.1 – 0.275 –
dodecanol – – – – 1.3 – 0.002 –
eicosenoic acid – – – – 1 – 0.635 –
erythritol – – – – 1 – 0.81 –
erythronic acid – – – – 1.2 – 0.048 –
erythronic acid lactone – – – – 1.6 – 0.006 –
ethanol phosphate N – – – – 1.1 – 0.837 –
ethanolamine – – – – 1.2 – 0.17 –
FAD – – – – 1.2 – 0.092 –
fructose – – – – 1.2 – 0.562 –
fructose-1-phosphate – – – – 1 – 0.696 –
fructose-6-phosphate – – – – 1.3 – 0.193 –
fucose – – – – 1.5 – 0.008 –
fumaric acid – – – – 1 – 0.845 –
galactose-6-phosphate – – – – 1.2 – 0.152 –
gamma-tocopherol – V – – 1.2 – 0.01 –
gluconic acid – – – – 2.1 – 0.00038 –
glucose – V – – 2 – 0.00037 –
glucose-6-phosphate – – – – 1.2 – 0.19 –
glucuronic acid – – – – 1 – 0.846 –
glutamic acid – – – – 1.4 – 0.002 –
glutamine – – – – 1.1 – 0.647 –
glyceric acid – – – – 1.4 – 0.017 –
glycerol – – – – 1.2 – 0.019 –
glycerol-3-galactoside – – – – 2.2 – 0.003 –
glycerol-alpha-phosphate – – – – 1.2 – 0.231 –
glycerol-beta-phosphate – – – – 1.2 – 0.201 –
glycine – – – – 1.1 – 0.202 –
glycocyamine – – – – 1.2 – 0.392 –
glycolic acid – – – – 1 – 0.507 –
guanine – – – – 1.1 – 0.249 –
guanosine – – – – 1 – 0.845 –
histidine – – – – 1.6 – 0.012 –
homoserine – – – – 1.1 – 0.392 –
hydroxycarbamate – – – – 1.1 – 0.19 –
hydroxylamine – – – – 1.3 – 0.013 –
hypoxanthine – – – – 1.1 – 0.386 –
indole-3-acetate – – – – 1.1 – 0.392 –
inosine – – – – 1.1 – 0.394 –
inosine 5'-monophosphate – – – – 3.5 – 0.00085 –
inositol-4-monophosphate – – – – 1.4 – 0.02 –
isoheptadecanoic acid (methyl-C16:0) – – – – 1.1 – 0.178 –
isoleucine – – – – 1.2 – 0.124 –
isothreonic acid – – – – 1.3 – 0.008 –
kynurenine – – – – 1.3 – 0.116 –
lauric acid – – – – 1.2 – 0.035 –
leucine – – – – 1.1 – 0.377 –
levoglucosan – – – – 1 – 0.846 –
linoleic acid – – – – 1.1 – 0.416 –
lysine – – – – 2.7 – 0.000065 –
maleimide – – – – 1 – 0.837 –
malic acid – – – – 1.3 – 0.045 –
maltose – – – – 1.6 – 0.47 –
maltotriose – – – – 1.7 – 0.615 –
mannitol – – – – 1.4 – 0.017 –
mannose – – – – 1.1 – 0.542 –
methanolphosphate – – – – 1.1 – 0.204 –
methionine – – – – 1.1 – 0.405 –
methionine sulfoxide – – – – 1.8 – 0.045 –
myo-inositol – – – – 1 – 0.837 –
myristic acid – – – – 1.1 – 0.084 –
N-acetyl-D-mannosamine – – – – 1.5 – 0.00033 –
nicotinamide – – – – 1.4 – 0.006 –
N-methylalanine – – – – 1.1 – 0.826 –
octadecane-1,12-diol N – – – – 1.1 – 0.129 –
octadecanol – – – – 2.1 – 0.38 –
oleic acid – – – – 1.1 – 0.663 –
ornithine – – – – 1.9 – 0.0000096 –
orotic acid – – – – 1.2 – 0.389 –
oxalic acid – – – – 1.1 – 0.429 –
oxoproline – – – – 1.1 – 0.094 –
palmitic acid – – – – 1.2 – 0.027 –
pantothenic acid – – – – 1.1 – 0.725 –
pelargonic acid – – – – 1.2 – 0.033 –
pentadecanoic acid (C15:0) – – – – 1.2 – 0.015 –
phenylalanine – – – – 1.1 – 0.328 –
phenylethylamine – – – – 1.3 – 0.51 –
phenylpyruvic acid – – – – 1.1 – 0.202 –
phosphoethanolamine – – – – 1.4 – 0.289 –
phosphoric acid – – – – 1.2 – 0.18 –
pipecolic acid – – – – 1.1 – 0.123 –
proline – – – – 1.4 – 0.008 –
pseudo uridine – – – – 1 – 0.846 –
putrescine – – – – 1.1 – 0.73 –
pyrophosphate – – – – 1 – 0.67 –
quinic acid – – – – 1.3 – 0.02 –
ribitol – – – – 1.8 – 0.00000066 –
ribonic acid – – – – 1 – 0.38 –
ribose – – – – 1 – 0.696 –
salicylaldehyde – – – – 1.1 – 0.372 –
serine – – – – 1.1 – 0.758 –
shikimic acid – – – – 1.1 – 0.845 –
sorbitol – – – – 1.4 – 0.837 –
spermidine – – – – 1.4 – 0.002 –
stearic acid – – – – 1.2 – 0.047 –
stigmasterol – – – – 1 – 0.954 –
succinic acid – – – – 1.3 – 0.726 –
sucrose – – – – 1.3 – 0.313 –
tagatose – – – – 1.3 – 0.022 –
taurine – – – – 1.3 – 0.095 –
threitol – – – – 1.1 – 0.18 –
threonic acid – – – – 1.2 – 0.648 –
threonine – – – – 1.1 – 0.291 –
thymine – – – – 1.2 – 0.306 –
trans-4-hydroxyproline – – – – 1.3 – 0.008 –
trehalose – – – – 1.7 – 0.523 –
triethanolamine – – – – 1.4 – 0.002 –
tryptophan – – – – 1.2 – 0.837 –
tyrosine – – – – 1.1 – 0.429 –
UDP GlcNAc – – – – 2.3 – 0.000022 –
UDP-glucuronic acid – – – – 1.2 – 0.007 –
uracil – – – – 1.4 – 0.037 –
urea – – – – 1 – 0.615 –
uric acid – – – – 1.4 – 0.019 –
uridine – – – – 1.4 – 0.002 –
uridine-5'-monophosphate – – – – 1.1 – 0.555 –
valine – – – – 1 – 0.846 –
xanthine – V – – 2.7 – 0.00038 –
xanthosine – – – – 1.1 – 0.826 –
xylitol – – – – 1.4 – 0.00094 –
Metabolite Comparative study Author-emphasized biomarkers Cutoff value AUROC (95%CI) Sensitivity (%) Specificity (%) Accuracy (%)
1,5-anhydroglucitol – – – – – – –
1-hexadecanol – – – – – – –
1-monopalmitin – – – – – – –
1-monostearin – – – – – – –
238267 trisaccharide – – – – – – –
2-aminoadipic acid – – – – – – –
2-hydroxybutanoic acid – – – – – – –
2-hydroxyglutaric acid – – – – – – –
2-ketoisocaproic acid – – – – – – –
2-monoolein – – – – – – –
2-monopalmitin – – – – – – –
2-phenylpropanol – – – – – – –
3-aminoisobutyric acid – – – – – – –
3-hydroxybutanoic acid – – – – – – –
3-phenyllactic acid – – – – – – –
3-phosphoglycerate – – – – – – –
4-hydroxybutyric acid – – – – – – –
4-hydroxyproline – – – – – – –
5,6-dihydrouracil – V – – – – –
5-aminovaleric acid – – – – – – –
5'-deoxy-5'-methylthioadenosine – V – – – – –
5-hydroxynorvaline – – – – – – –
5-methoxytryptamine – – – – – – –
acetophenone – – – – – – –
adenine – – – – – – –
adenosine – – – – – – –
adenosine-5-phosphate – – – – – – –
adipic acid – – – – – – –
alanine – – – – – – –
allantoic acid – – – – – – –
allo-inositol – – – – – – –
alpha-ketoglutaric acid – – – – – – –
alpha-tocopherol – V – – – – –
aminomalonic acid – – – – – – –
arabinose – – – – – – –
arabitol – – – – – – –
arachidic acid – – – – – – –
arachidonic acid – – – – – – –
ascorbic acid – – – – – – –
asparagine – – – – – – –
aspartic acid – – – – – – –
azelaic acid – – – – – – –
behenic acid – – – – – – –
benzoic acid – – – – – – –
beta-alanine – – – – – – –
biuret – – – – – – –
capric acid – – – – – – –
caprylic acid – – – – – – –
cellobiotol – – – – – – –
cholesterol – – – – – – –
citric acid – – – – – – –
citrulline – – – – – – –
conduritol-beta-epoxide – – – – – – –
creatinine – – – – – – –
cysteine – – – – – – –
cysteine-glycine – – – – – – –
cystine – – – – – – –
cytidine-5-diphosphate – – – – – – –
cytidine-5-monophosphate – – – – – – –
digalacturonic acid – – – – – – –
dihydroabietic acid – – – – – – –
dihydrosphingosine – – – – – – –
dodecane – – – – – – –
dodecanol – – – – – – –
eicosenoic acid – – – – – – –
erythritol – – – – – – –
erythronic acid – – – – – – –
erythronic acid lactone – – – – – – –
ethanol phosphate N – – – – – – –
ethanolamine – – – – – – –
FAD – – – – – – –
fructose – – – – – – –
fructose-1-phosphate – – – – – – –
fructose-6-phosphate – – – – – – –
fucose – – – – – – –
fumaric acid – – – – – – –
galactose-6-phosphate – – – – – – –
gamma-tocopherol – V – – – – –
gluconic acid – – – – – – –
glucose – V – – – – –
glucose-6-phosphate – – – – – – –
glucuronic acid – – – – – – –
glutamic acid – – – – – – –
glutamine – – – – – – –
glyceric acid – – – – – – –
glycerol – – – – – – –
glycerol-3-galactoside – – – – – – –
glycerol-alpha-phosphate – – – – – – –
glycerol-beta-phosphate – – – – – – –
glycine – – – – – – –
glycocyamine – – – – – – –
glycolic acid – – – – – – –
guanine – – – – – – –
guanosine – – – – – – –
histidine – – – – – – –
homoserine – – – – – – –
hydroxycarbamate – – – – – – –
hydroxylamine – – – – – – –
hypoxanthine – – – – – – –
indole-3-acetate – – – – – – –
inosine – – – – – – –
inosine 5'-monophosphate – – – – – – –
inositol-4-monophosphate – – – – – – –
isoheptadecanoic acid (methyl-C16:0) – – – – – – –
isoleucine – – – – – – –
isothreonic acid – – – – – – –
kynurenine – – – – – – –
lauric acid – – – – – – –
leucine – – – – – – –
levoglucosan – – – – – – –
linoleic acid – – – – – – –
lysine – – – – – – –
maleimide – – – – – – –
malic acid – – – – – – –
maltose – – – – – – –
maltotriose – – – – – – –
mannitol – – – – – – –
mannose – – – – – – –
methanolphosphate – – – – – – –
methionine – – – – – – –
methionine sulfoxide – – – – – – –
myo-inositol – – – – – – –
myristic acid – – – – – – –
N-acetyl-D-mannosamine – – – – – – –
nicotinamide – – – – – – –
N-methylalanine – – – – – – –
octadecane-1,12-diol N – – – – – – –
octadecanol – – – – – – –
oleic acid – – – – – – –
ornithine – – – – – – –
orotic acid – – – – – – –
oxalic acid – – – – – – –
oxoproline – – – – – – –
palmitic acid – – – – – – –
pantothenic acid – – – – – – –
pelargonic acid – – – – – – –
pentadecanoic acid (C15:0) – – – – – – –
phenylalanine – – – – – – –
phenylethylamine – – – – – – –
phenylpyruvic acid – – – – – – –
phosphoethanolamine – – – – – – –
phosphoric acid – – – – – – –
pipecolic acid – – – – – – –
proline – – – – – – –
pseudo uridine – – – – – – –
putrescine – – – – – – –
pyrophosphate – – – – – – –
quinic acid – – – – – – –
ribitol – – – – – – –
ribonic acid – – – – – – –
ribose – – – – – – –
salicylaldehyde – – – – – – –
serine – – – – – – –
shikimic acid – – – – – – –
sorbitol – – – – – – –
spermidine – – – – – – –
stearic acid – – – – – – –
stigmasterol – – – – – – –
succinic acid – – – – – – –
sucrose – – – – – – –
tagatose – – – – – – –
taurine – – – – – – –
threitol – – – – – – –
threonic acid – – – – – – –
threonine – – – – – – –
thymine – – – – – – –
trans-4-hydroxyproline – – – – – – –
trehalose – – – – – – –
triethanolamine – – – – – – –
tryptophan – – – – – – –
tyrosine – – – – – – –
UDP GlcNAc – – – – – – –
UDP-glucuronic acid – – – – – – –
uracil – – – – – – –
urea – – – – – – –
uric acid – – – – – – –
uridine – – – – – – –
uridine-5'-monophosphate – – – – – – –
valine – – – – – – –
xanthine – V – – – – –
xanthosine – – – – – – –
xylitol – – – – – – –

Paper graphical summary