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Citation Information


Analytical methods
Comparative study #1 #2 #3 #4 #5 #6
Chromatography LC LC LC GC GC GC
Ion source ESI ESI ESI EI EI EI
Positive/Negative mode positive positive positive – – –
Mass analyzer QTOF QTOF QTOF quadrupole quadrupole quadrupole
Identification level – – – – – –

Sample information
Comparative study #1 #2 #3 #4 #5 #6
Country China China China China China China
Specimen serum serum serum serum serum serum
Marker function – – – – – –
Participants(Case) Cancer type lung cancer lung cancer lung cancer (postoperative) lung cancer lung cancer lung cancer (postoperative)
Stage––––––
Number303030303030
Gender (M,F)––––––
Mean age (range) (M,F)61.58 ± 10.6761.58 ± 10.6761.58 ± 10.6761.58 ± 10.6761.58 ± 10.6761.58 ± 10.67
Smoking status––––––
Participants(Control) Type healthy before vs. after treatment (operation) healthy healthy before vs. after treatment (operation) healthy
Number30.030.030.030.030.030.0
Gender (M,F)––––––
Mean age (range) (M,F)60.35 ± 12.4861.58 ± 10.6760.35 ± 12.4860.35 ± 12.4861.58 ± 10.6760.35 ± 12.48
Smoking status––––––

Data processing and metabolite identification
Data processing software Mass Hunter Qualitative Analysis Software (Agilent Technologies)
Database search METLIN

Statistics and concentration information
Differential analysis method PCA, PLS-DA, independent t test
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
1,25-hydroxyvitamin D3 – – – – 1.97931331283041 <0.001 – 1.428
1,25-hydroxyvitamin D3 – – – – 0.47171912544768 <0.001 – 1.831
18-hydroxycorticosterone – – – – 1.6324060923018 <0.001 – 1.494
2,3,4-trihydroxybutyric acid – V – – 0.325335463860483 <0.001 – 2.07
2,3,4-trihydroxybutyric acid – V – – 0.320856474390726 <0.001 – 2.04
2-hydroxyglutarate – – – – 1.9683680440676 <0.001 – 1.256
3-hydroxy-3-methyl-glutaric acid – – – – 2.07483987313122 <0.001 – 1.06
8-hydroxy guanine – – – – 1.49174402669147 <0.001 – 1.246
9,12-octadecadienoic acid – V – – 2.51402674904366 <0.001 – 1.5
9,12-octadecadienoic acid – V – – 1.75321144263207 <0.001 – 1.19
acetylcarnitine – – – – 1.68763159226004 <0.001 – 1.184
acetylcarnitine – – – – 0.608361179317034 <0.001 – 1.297
adrenosterone – – – – 2.33755449712249 <0.001 – 1.437
adrenosterone – – – – 1.81126796603565 <0.001 – 1.727
alanine – – – – 0.687770909069872 <0.001 – 1.28
alanine – – – – 0.732042847972813 <0.001 – 1.14
aminomalonic acid – – – – 0.716977624007914 <0.001 – 1.31
arachidyl carnitine – – – – 1.64946709722016 <0.001 – 1.199
bilirubin – – – – 0.573553512113083 <0.001 – 1.303
bilirubin – – – – 0.370616752450709 <0.001 – 1.421
caffeic acid 3-sulfate – – – – 1.65978917117996 <0.001 – 1.563
caffeic acid 3-sulfate – – – – 1.33792755478611 <0.001 – 1.616
cholesterol – – – – 0.486327473706143 <0.001 – 2.14
cholesterol – – – – 0.707106781186547 <0.001 – 1.32
cholesterol – – – – 0.702222437868999 <0.001 – 1.62
cortisol – – – – 1.62788637014087 <0.001 – 1.135
decanoyl-L-Carnitine – – – – 0.3389160817 <0.001 – 1.403
dimethyl fumarate – – – – 1.93857963387013 <0.001 – 1.317
galactitol 1-phosphate – – – – 2.11990556679456 <0.001 – 1.91
galactitol 1-phosphate – – – – 1.5877678618633 <0.001 – 1.399
galactose – – – – 1.22264027769207 <0.001 – 1.52
gluconic acid – – – – 1.31950791077289 <0.001 – 1.37
glucose – – – – 1.31039340385836 <0.001 – 1.14
glucose – – – – 1.53687518128801 <0.001 – 1.61
glutamine – – – – 1.71713087287551 <0.001 – 1.03
glutamine – – – – 0.486327473706143 <0.001 – 1.37
glutamylphenylalanine – – – – 1.71713087287551 <0.001 – 1.615
glycerophospho-N-arachidonoyl ethanolamine – V – – 2.00833508647795 <0.001 – 1.781
glycerophospho-N-arachidonoyl ethanolamine – V – – 1.26487954235394 <0.001 – 1.281
glycerophospho-N-arachidonoyl ethanolamine – V – – 0.6298149899737 <0.001 – 1.813
glycerophospho-N-oleoyl ethanolamine – – – – 1.60993227524224 <0.001 – 1.022
glycerophospho-N-palmitoyl ethanolamine – – – – 1.31585452502901 <0.001 – 1.213
glycine – – – – 0.615572206672458 <0.001 – 1.63
glycine – – – – 0.619853849969493 <0.001 – 1.36
glycocholic acid – – – – 0.667111584838885 <0.001 – 1.319
glycocholic acid – – – – 1.51047258556283 <0.001 – 1.553
lactic acid – – – – 0.650670927720967 <0.001 – 1.97
lactic acid – – – – 0.539614118252214 <0.001 – 2.3
L-adrenaline – – – – 3.34730497073357 <0.001 – 1.366
L-carnitine – – – – 1.6958399292663 <0.001 – 1.57
L-carnitine – – – – 0.718470088272032 <0.001 – 1.388
linoleic acid – – – – 1.8276629004588 <0.001 – 1.247
linoleic acid – – – – 0.594191552528466 <0.001 – 1.335
L-isoleucine – – – – 0.790041311863377 <0.001 – 1.47
L-leucine – – – – 0.721964597761248 <0.001 – 1.38
L-lysine – – – – 1.3660402567544 <0.001 – 1.52
L-phenylalanine – – – – 0.721964597761248 <0.001 – 1.35
L-phenylalanine – – – – 0.655196701929182 <0.001 – 1.09
L-pipecolic acid – – – – 1.48452357062905 <0.001 – 1.108
L-pipecolic acid – – – – 1.6077019814863 <0.001 – 1.331
L-proline – – – – 0.817902058557781 <0.001 – 1.19
L-threonine – – – – 0.655196701929182 <0.001 – 1.76
L-valine – – – – 1.50003898928582 <0.001 – 1.418
L-valine – – – – 1.37745004638314 <0.001 – 1.402
L-valine – – – – 0.835087919428369 <0.001 – 1.28
myo-inositol – – – – 0.7791645796605 <0.001 – 1.19
myo-inositol – – – – 0.747424624317469 <0.001 – 1.19
oleamide – – – – 1.46713334416732 <0.001 – 1.392
oleamide – – – – 0.73866903179128 <0.001 – 1.384
oleic acid – V – – 2.46228882668983 <0.001 – 1.72
oleic acid – V – – 1.75321144263207 <0.001 – 1.29
oxalic acid – – – – 0.806641759222126 <0.001 – 1.3
oxalic acid – – – – 1.27456062731926 <0.001 – 1.38
oxalosuccinic acid – – – – 1.53900722016086 <0.001 – 1.174
oxalosuccinic acid – – – – 0.567227742467977 <0.001 – 1.56
palmitic acid – – – – 1.26575659397028 <0.001 – 1.33
palmitic acid – – – – 1.31039340385836 <0.001 – 1.56
palmitoyl-L-Carnitine – – – – 1.72189837667781 <0.001 – 1.245
PC(14:0) – – – – 0.586824089140676 <0.001 – 1.249
PC(15:0) – – – – 0.590496330714765 <0.001 – 1.167
PC(15:0) – – – – 1.24142749152611 <0.001 – 1.356
PC(16:0) – – – – 0.738157202841417 <0.001 – 1.309
PC(16:0) – – – – 1.22773568391506 <0.001 – 1.635
PC(17:0) – – – – 0.487677730763821 <0.001 – 1.267
PC(18:0) – – – – 0.896266699569405 <0.001 – 1.054
phenylalanine – – – – 1.93187265784969 <0.001 – 1.03
phenylglyoxylic acid – – – – 1.58008262372675 <0.001 – 1.333
phenylglyoxylic acid – – – – 1.29414565448285 <0.001 – 1.296
phosphate – – – – 0.801069877589622 <0.001 – 1.52
phosphate – – – – 0.732042847972813 <0.001 – 1.01
phosphorylcholine – V – – 2.13317156166353 <0.001 – 1.116
prasterone sulfate – V – – 0.557869661162482 <0.001 – 1.221
prasterone sulfate – – – – 0.328963631257252 <0.001 – 2.087
pyroglutamic acid – – – – 0.823591017267573 <0.001 – 1.09
pyroglutamic acid – – – – 0.550952557938305 <0.001 – 1.35
ribitol – – – – 1.23114441334492 <0.001 – 1.18
serine – V – – 0.403320879611063 <0.001 – 1.46
sphinganine – – – – 1.31494276020507 <0.001 – 1.027
sphinganine – – – – 0.666649338545599 <0.001 – 1.979
sphinganine – – – – 0.506979739895015 <0.001 – 1.919
sphingosine – V – – 0.342458244991391 <0.001 – 1.788
sphingosine – V – – 2.96493401960567 <0.001 – 2.164
stearic acid – – – – 1.2834258975629 <0.001 – 1.16
tetradecanoic acid – – – – 1.29235283063749 <0.001 – 1.21
tetradecanoic acid – – – – 1.404444875738 <0.001 – 1.3
traumatic acid – – – – 0.466516495768404 <0.001 – 1.908
traumatic acid – – – – 0.551334581534457 <0.001 – 1.55
tyrosine – – – – 1.39474366635041 <0.001 – 1.14
tyrosine – – – – 0.539614118252214 <0.001 – 1.68
ubiquinone – – – – 0.432868282759829 <0.001 – 1.293
urea – – – – 1.31039340385836 <0.001 – 1.03
urea – – – – 0.637280313659631 <0.001 – 1.14
uric acid – – – – 1.4439291955225 <0.001 – 1.049
uric acid – – – – 0.603321959860381 <0.001 – 1.52
uridine – – – – 1.68412590721683 <0.001 – 1.488
uridine – – – – 0.673616788432845 <0.001 – 1.281
α-D-glucopyranoside – – – – 1.3660402567544 <0.001 – 1.21
α-hydroxyisobutyric acid – V – – 1.98618499087407 <0.001 – 1.89
α-hydroxyisobutyric acid – V – – 2.62078680771673 <0.001 – 1.98
α-hydroxyisobutyric acid – V – – 0.692554734055462 <0.001 – 1.18
α-hydroxyvaleric acid – – – – 2.15845647300885 <0.001 – 1.43
α-hydroxyvaleric acid – – – – 0.607097442197523 <0.001 – 1.09
β-hydroxybutyric acid – – – – 5.20536742176773 <0.001 – 1.14
γ-linolenic acid – V – – 2.39827982758223 <0.001 – 1.334
γ-linolenic acid – V – – 0.483303048532487 <0.001 – 1.468
lactic acid – – – – 1.14076371586842 0.1 – 1.22
pyroglutamic acid – – – – 0.823591017267573 0.02 – 1
2-deoxy-galactopyranose – – – – 0.683020128377198 0.01 – 1.04
L-ornithine – – – – 0.664342907048256 0.01 – 1
L-proline – – – – 0.664342907048256 0.01 – 1.11
serine – V – – 0.637280313659631 0.01 – 1.01
urea – – – – 1.24833054890161 0.01 – 1.07
α-D-glucopyranoside – – – – 0.757858283255199 0.01 – 1.1
caffeic acid 3-sulfate – – – – 0.80552429104875 0.006 – 1.016
corticosterone – – – – 0.61089655083675 0.006 – 1.001
8-hydroxy guanine – – – – 1.20664391972076 0.004 – 1.021
creatinine – – – – 0.766841329836546 0.004 – 1.054
ferulic acid – – – – 2.55088878335709 0.004 – 1.057
glycerophospho-N-oleoyl ethanolamine – – – – 0.693034942825207 0.004 – 1.045
L-adrenaline – – – – 1.79626474576787 0.004 – 1.022
2-hydroxyglutarate – – – – 1.73628045520209 0.003 – 1.082
tetradecanedioic acid – – – – 1.14155470712677 0.003 – 1.052
arachidyl carnitine – – – – 1.3764956015907 0.002 – 1.077
L-adrenaline – – – – 0.536630143196727 0.002 – 1.108
octanoylcarnitine – – – – 0.471065636952404 0.002 – 1.059
uric acid – – – – 0.73662384290824 0.002 – 1.08
1-linoleoylglycerophosphocholine – – – – 0.827023368443266 0.001 – 1.178
dimethyl fumarate – – – – 1.54435026618357 0.001 – 1.202
ferulic acid – – – – 2.93426668833465 0.001 – 1.112
lauroylcarnitine – – – – 0.487677730763821 0.001 – 1.194
L-carnitine – – – – 1.21756601866299 0.001 – 1.165
palmitoyl-L-Carnitine – – – – 1.35284823105027 0.001 – 1.173
phosphorylcholine – V – – 0.547905883223845 0.001 – 1.155
Metabolite Comparative study Author-emphasized biomarkers Cutoff value AUROC (95%CI) Sensitivity (%) Specificity (%) Accuracy (%)
1,25-hydroxyvitamin D3 – – – – – – –
1,25-hydroxyvitamin D3 – – – – – – –
18-hydroxycorticosterone – – – – – – –
2,3,4-trihydroxybutyric acid – V – – – – –
2,3,4-trihydroxybutyric acid – V – – – – –
2-hydroxyglutarate – – – – – – –
3-hydroxy-3-methyl-glutaric acid – – – – – – –
8-hydroxy guanine – – – – – – –
9,12-octadecadienoic acid – V – – – – –
9,12-octadecadienoic acid – V – – – – –
acetylcarnitine – – – – – – –
acetylcarnitine – – – – – – –
adrenosterone – – – – – – –
adrenosterone – – – – – – –
alanine – – – – – – –
alanine – – – – – – –
aminomalonic acid – – – – – – –
arachidyl carnitine – – – – – – –
bilirubin – – – – – – –
bilirubin – – – – – – –
caffeic acid 3-sulfate – – – – – – –
caffeic acid 3-sulfate – – – – – – –
cholesterol – – – – – – –
cholesterol – – – – – – –
cholesterol – – – – – – –
cortisol – – – – – – –
decanoyl-L-Carnitine – – – – – – –
dimethyl fumarate – – – – – – –
galactitol 1-phosphate – – – – – – –
galactitol 1-phosphate – – – – – – –
galactose – – – – – – –
gluconic acid – – – – – – –
glucose – – – – – – –
glucose – – – – – – –
glutamine – – – – – – –
glutamine – – – – – – –
glutamylphenylalanine – – – – – – –
glycerophospho-N-arachidonoyl ethanolamine – V – – – – –
glycerophospho-N-arachidonoyl ethanolamine – V – – – – –
glycerophospho-N-arachidonoyl ethanolamine – V – – – – –
glycerophospho-N-oleoyl ethanolamine – – – – – – –
glycerophospho-N-palmitoyl ethanolamine – – – – – – –
glycine – – – – – – –
glycine – – – – – – –
glycocholic acid – – – – – – –
glycocholic acid – – – – – – –
lactic acid – – – – – – –
lactic acid – – – – – – –
L-adrenaline – – – – – – –
L-carnitine – – – – – – –
L-carnitine – – – – – – –
linoleic acid – – – – – – –
linoleic acid – – – – – – –
L-isoleucine – – – – – – –
L-leucine – – – – – – –
L-lysine – – – – – – –
L-phenylalanine – – – – – – –
L-phenylalanine – – – – – – –
L-pipecolic acid – – – – – – –
L-pipecolic acid – – – – – – –
L-proline – – – – – – –
L-threonine – – – – – – –
L-valine – – – – – – –
L-valine – – – – – – –
L-valine – – – – – – –
myo-inositol – – – – – – –
myo-inositol – – – – – – –
oleamide – – – – – – –
oleamide – – – – – – –
oleic acid – V – – – – –
oleic acid – V – – – – –
oxalic acid – – – – – – –
oxalic acid – – – – – – –
oxalosuccinic acid – – – – – – –
oxalosuccinic acid – – – – – – –
palmitic acid – – – – – – –
palmitic acid – – – – – – –
palmitoyl-L-Carnitine – – – – – – –
PC(14:0) – – – – – – –
PC(15:0) – – – – – – –
PC(15:0) – – – – – – –
PC(16:0) – – – – – – –
PC(16:0) – – – – – – –
PC(17:0) – – – – – – –
PC(18:0) – – – – – – –
phenylalanine – – – – – – –
phenylglyoxylic acid – – – – – – –
phenylglyoxylic acid – – – – – – –
phosphate – – – – – – –
phosphate – – – – – – –
phosphorylcholine – V – – – – –
prasterone sulfate – V – – – – –
prasterone sulfate – – – – – – –
pyroglutamic acid – – – – – – –
pyroglutamic acid – – – – – – –
ribitol – – – – – – –
serine – V – – – – –
sphinganine – – – – – – –
sphinganine – – – – – – –
sphinganine – – – – – – –
sphingosine – V – – – – –
sphingosine – V – – – – –
stearic acid – – – – – – –
tetradecanoic acid – – – – – – –
tetradecanoic acid – – – – – – –
traumatic acid – – – – – – –
traumatic acid – – – – – – –
tyrosine – – – – – – –
tyrosine – – – – – – –
ubiquinone – – – – – – –
urea – – – – – – –
urea – – – – – – –
uric acid – – – – – – –
uric acid – – – – – – –
uridine – – – – – – –
uridine – – – – – – –
α-D-glucopyranoside – – – – – – –
α-hydroxyisobutyric acid – V – – – – –
α-hydroxyisobutyric acid – V – – – – –
α-hydroxyisobutyric acid – V – – – – –
α-hydroxyvaleric acid – – – – – – –
α-hydroxyvaleric acid – – – – – – –
β-hydroxybutyric acid – – – – – – –
γ-linolenic acid – V – – – – –
γ-linolenic acid – V – – – – –
lactic acid – – – – – – –
pyroglutamic acid – – – – – – –
2-deoxy-galactopyranose – – – – – – –
L-ornithine – – – – – – –
L-proline – – – – – – –
serine – V – – – – –
urea – – – – – – –
α-D-glucopyranoside – – – – – – –
caffeic acid 3-sulfate – – – – – – –
corticosterone – – – – – – –
8-hydroxy guanine – – – – – – –
creatinine – – – – – – –
ferulic acid – – – – – – –
glycerophospho-N-oleoyl ethanolamine – – – – – – –
L-adrenaline – – – – – – –
2-hydroxyglutarate – – – – – – –
tetradecanedioic acid – – – – – – –
arachidyl carnitine – – – – – – –
L-adrenaline – – – – – – –
octanoylcarnitine – – – – – – –
uric acid – – – – – – –
1-linoleoylglycerophosphocholine – – – – – – –
dimethyl fumarate – – – – – – –
ferulic acid – – – – – – –
lauroylcarnitine – – – – – – –
L-carnitine – – – – – – –
palmitoyl-L-Carnitine – – – – – – –
phosphorylcholine – V – – – – –

Paper graphical summary