. 2016 Jan 9;41(1):60–68. doi: 10.1016/j.jgr.2015.12.012

Table 1.

Assignment of metabolites detected by gas chromatography-mass spectrometry

No.	Class	Retention time (min)	Compound
1	Amino acids	4.78	l-Alanine^a ^b ^d
2		6.84	l-Valine^a ^b ^d
3		8.67	Glycine^a ^b
4		9.82	l-Serine^a ^b ^d
5		10.4	l-Threonine^a ^b
6		13.01	l-Proline^a ^b
7		13.07	l-Aspartic acid^a ^b
8		14.87	Ornithine^a ^b
9		14.97	l-Glutamine^a ^b ^d
10		15.94	l-Asparagine^a ^b
11	Carboxylic acids	6.54	Malonate^a ^b ^d
12		9.21	Propanoic acid^a ^b ^d
13		12.44	dl-Malate^a ^b ^d
14		14.65	Pentanedioic acid^a ^b
15	Fatty acids	22.07	Hexadecanoic acid^a ^b
16		23.58	Heptadecanoic acid^a ^b
17		24.58	12-Octadecadienoic acid^a ^b
18	Inorganic acids	7.99	Phosphoric acid^a ^b ^d
19	Monosaccharides	19.9	d-Fructose^c
20	Monosaccharides	20.63	d-Glucose^c

VIP = variable importance for projection.

Metabolites were derivatized with trimethylsilyl.

Annotation of metabolites identified by NIST Mass Spectral Library.

Annotation of metabolites identified by mass spectrum of authentic compound.

Metabolites identified with VIP list with cutoff values of VIP > 1.0 and p < 0.05.