Metabonomics fingerprint of volatile organic compounds in serum and urine of pregnant women with gestational diabetes mellitus

Table 1 Demographic characteristics

	GDM	NP	t	P value
Sample	30	30
Age (yr)	28.38 ± 2.52	29.14 ± 3.61	0.95	0.35
Height (cm)	162.34 ± 4.69	164.61 ± 5.36	1.75	0.09
Weight (kg)	76.33 ± 9.16	74.05 ± 8.97	0.98	0.33
Glucose (mmol/L)	4.825 ± 1.03	3.39 ± 0.56	6.70	< 0.001
Hba1c (%)	5.93 ± 0.73	4.86 ± 0.93	4.50	< 0.001

Data are expressed as the mean ± SD. GDM: Gestational diabetes mellitus; NP: Normal pregnancy; HbA1c: Hemoglobin A1c.

Table 2 Differential metabolites in blood volatile organic carbons of the two groups

Differential metabolite	VIP	P value	Time	FC (GDM/NP)
1-Octyn-3-ol, 4-ethyl-	2.2718	0.0000	9.1501	-0.3956
4-Fluoro-2-trifluoromethylbenzoic acid, cyclohexylmethyl ester	1.6588	0.0000	4.3833	-0.3885
Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-	2.11317	0.0000	8.6667	-0.4162
Isolongifolene-5-ol	1.85815	0.0000	18.1917	-0.6099
Oxime-, methoxy-phenyl-	1.06288	0.0001	6.3083	-0.2675
Trans-beta-Ocimene	2.01398	0.0000	6.9250	-0.3406
1H-Pyrazole-1-carbothioamide, 3,5-dimethyl-	1.66239	0.0000	4.7250	-0.5068
1-Penten-3-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-	1.38245	0.0000	18.8000	-0.9345
2-Octen-1-ol, (E)-	1.11297	0.0287	8.0417	0.5487
2-Propanol, 1,1,1-trichloro-2-methyl-	1.32854	0.0000	7.8167	-0.2366
3,5-Decadien-7-yne, 6-t-butyl-2,2,9,9-tetramethyl-	1.51135	0.0000	18.7750	-0.5299
3-Heptanol, 5-methyl-	1.2384	0.0001	5.3235	-0.2684
5-Methyluridine, tris(trifluoroacetate)	2.04962	0.0000	10.6833	-0.2948
Hexanal	1.09786	0.0001	4.0858	0.3192
Malonic acid, bis (2-trimethylsilylethyl ester	1.59984	0.0000	19.5083	-0.3655
Oxalic acid, 2TMS derivative	1.13131	0.0097	16.6477	0.1542
Quinoxalin-2-one, decahydro-3-(3,3-dimethyl-2-oxobutenylideno)-	1.73099	0.0000	7.3270	-0.0682

VIP: Variable importance in the projection; FC: Fold change; GDM: Gestational diabetes mellitus; NP: Normal pregnancy.

Table 3 Differential metabolites in urine volatile organic carbons of the two groups

Differential metabolite	Similarity	VIP	P value	Time	FC (GDM/Ctrl)
Benzene, 1,3-bis(1,1-dimethylethyl)-	88	2.87589	0.0000	13.927	0.560880597
2-Pentanone	87	2.2746	0.0000	3.017	-0.077266923
4-Fluoro-2-trifluoromethylbenzoic acid, cyclohexylmethyl ester	59	1.93204	0.0001	4.368	-0.339022989
Thiophene, 3,3'-(1,2-ethenediyl)bis-	58	1.62894	0.0000	4.371	-0.184457329
Cyclohexanone	95	1.13467	0.0081	6.018	0.935083138
.alpha.-Pinene	94	1.51705	0.0015	6.916	-0.221670672
Phenol	98	1.02127	0.0135	7.970	1.492584113
1-Hexanol, 2-ethyl-	96	1.16684	0.0444	9.118	0.693139386
Cyclododecanol	83	2.53908	0.0000	12.365	-0.41722675
3,4-Dimethylcyclohexanol	78	2.33881	0.0207	13.488	-0.094482061

VIP: Variable importance in the projection; FC: Fold change; GDM: Gestational diabetes mellitus.