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Clin Chim Acta. 2012 Dec 24;414:135-41. doi: 10.1016/j.cca.2012.08.010. Epub 2012 Aug 18.
Probing gender-specific lipid metabolites and diagnostic biomarkers for lung cancer using Fourier transform ion cyclotron resonance mass spectrometry.
Guo Y, Wang X, Qiu L, Qin X, Liu H, Wang Y, Li F, Wang X, Chen G, Song G, Li F, Guo S, Li Z.

Analytical methods
Comparative study	#1
Chromatography	DI
Ion source	ESI
Positive/Negative mode	positive
Mass analyzer	FT-ICR
Identification level	MS/MS

Sample information
Comparative study		#1
Country		China
Specimen		serum
Marker function		diagnosis
Participants(Case)	Cancer type	adenocarcinoma, squamous cell carcinoma, SCLC
	Stage	I, II, III, IV
	Number	58
	Gender (M,F)	39, 19
	Mean age (range) (M,F)	52 ± 12 / 52 ± 12
	Smoking status	–
Participants(Control)	Type	healthy
	Number	495
	Gender (M,F)	251, 244
	Mean age (range) (M,F)	61 ± 10 / 63 ± 12
	Smoking status	–

Data processing and metabolite identification
Data processing software	–
Database search	HMDB, Lipid maps

Statistical analysis
Differential analysis method	PLS-DA,
Classification method	ROC curve
Survival analysis method	–

Lung cancer-related metabolites identified in the paper

Differential analysis method
Classification method

Metabolite	Author-emphasized biomarkers	Mean concentration (case)	Mean concentration (control)	Fold change (case/control)	P-value	FDR	VIP
long chain acyl carnitine	V	–	–	–	–	–	–
LPC(18:0)	–	–	–	–	–	–	–
LPC(18:1)	–	–	–	–	–	–	–
LPC(20:3)	–	–	–	–	–	–	–
LPC(20:4)	–	–	–	–	–	–	–
LPC(22:6)	–	–	–	–	–	–	–
oleamide	V	–	–	–	–	–	–
PC(34:2)	–	–	–	–	–	–	–
PC(36:2)	–	–	–	–	–	–	–
PC(36:3)	–	–	–	–	–	–	–
SM(16:0/1)	V	–	–	–	–	–	–

Metabolite	Author-emphasized biomarkers	Cutoff value	AUROC (95%CI)	Sensitivity (%)	Specificity (%)	Accuracy (%)
long chain acyl carnitine	V	–	male oleamide + long chain acyl carnitine: 0.883, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 0.983, female oleamide + long chain acyl carnitine: 0.879, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 0.993	male oleamide + long chain acyl carnitine:87.2, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 100, female oleamide + long chain acyl carnitine:78.9, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 100	male oleamide + long chain acyl carnitine: 84.1, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 100, female oleamide + long chain acyl carnitine: 92.3, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 93.1	–
LPC(18:0)	–	–	–	–	–	–
LPC(18:1)	–	–	male LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 0.753, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 0.983, female LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 0.786, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 0.993	male LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 61.5, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 100, female LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 84.2, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 100	male LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 82.9, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 91.7, female LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 69.9, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 93.1	–
LPC(20:3)	–	–	male LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 0.753, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 0.983, female LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 0.786, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 0.993	male LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 61.5, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 100, female LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 84.2, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 100	male LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 82.9, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 91.7, female LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 69.9, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 93.1	–
LPC(20:4)	–	–	male LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 0.753, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 0.983, female LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 0.786, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 0.993	male LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 61.5, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 100, female LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 84.2, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 100	male LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 82.9, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 91.7, female LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 69.9, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 93.1	–
LPC(22:6)	–	–	male LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 0.753, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 0.983, female LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 0.786, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 0.993	male LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 61.5, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 100, female LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 84.2, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 100	male LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 82.9, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 91.7, female LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6): 69.9, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 93.1	–
oleamide	V	–	male oleamide + long chain acyl carnitine: 0.883, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 0.983, female oleamide + long chain acyl carnitine: 0.879, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 0.993	male oleamide + long chain acyl carnitine:87.2, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 100, female oleamide + long chain acyl carnitine:78.9, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 100	male oleamide + long chain acyl carnitine: 84.1, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 100, female oleamide + long chain acyl carnitine: 92.3, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 93.1	–
PC(34:2)	–	–	–	–	–	–
PC(36:2)	–	–	–	–	–	–
PC(36:3)	–	–	–	–	–	–
SM(16:0/1)	V	–	male 0.924, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 0.983, female 0.952, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 0.993	male 86.2, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 100, female 94.7, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 100	male 88.7, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 91.7, female 88.9, Oleamide + Long chain acyl carnitine + LPC(18:1) + LPC(20:4) + LPC(20:3) + LPC(22:6) + SM(16:0/1): 93.1	–

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