196
Table 9.2 Metabolites annotated from GC-MS analysis. Metabolites were identified using the Metabolomics Australia in-house library and NIST 14 library
version 2.2 for mass spectral comparison
Retention time
Putative metabolite name (Derivative)
MZ
Formula
Metabolite Class
Rt Match
7.23
Lactic acid
117.1
C
3 H
6 O
3
Organic acid
y
15.67
Aspartic acid
218.0
C
4 H
7 NO
4
Amino acid
y
14.07
β-alanine
248.1
C
3 H
7 NO
2
Amino acid
y
14.42
Homoserine
218.1
C
4 H
9 NO
3
Amino acid
y
8.00
L-Alanine
116.0
C
3 H
7 NO
2
Amino acid
y
18.16
L-Asparagine
231.0
C
4 H
8 N
2 O
3
Amino acid
y
17.35
L-Glutamic acid
246.0
C
5 H
9 NO
4
Amino acid
y
19.82
L-Glutamine
156.0
C
5 H
10 N
2 O
3
Amino acid
y
8.37
L-Glycine
102.1
C
2 H
5 NO
2
Amino acid
y
11.57
L-Isoleucine
158.1
C
6 H
13 NO
2
Amino acid
y
21.94
L-Lysine
317.2
C
6 H
14 N
2 O
2
Amino acid
y
19.48
L-Ornithine
174.1
C
5 H
12 N
2 O
2
Amino acid
y
17.52
L-Phenylalanine
192.0
C
9 H
11 NO
2
Amino acid
y
10.94
L-Serine
132.1
C
3 H
7 NO
3
Amino acid
y
16.29
L-Threonic acid
292.0
C
4 H
8 O
5
Amino acid
y
11.63
L-Threonine
219.0
C
4 H
9 NO
3
Amino acid
y
22.22
L-Tyrosine
218.1
C
9 H
11 NO
3
Amino acid
y
15.95
N-Acetylglutamic acid
276.1
C
7 H
11 NO
5
Amino acid
y
15.78
Pyroglutamic acid
258.0
C
5 H
7 NO
3
Amino acid
y
11.70
Proline
142.1
C
5 H
9 NO
2
Amino acid
y
10.12
L-Valine
144.0
C
5 H
11 NO
2
Amino acid
y
15.87
γ-aminobutyric acid
304.0
C
4 H
9 NO
2
Amino acid
y
22.33
4-Hydroxycinnamic acid
293.1
C
9 H
8 O
3
Aromatic acid
y
24.93
3,4-Dihydroxycinnamic acid
396.2
C
9 H
8 O
4
Aromatic acid
y
20.13
p-Coumaric acid
308.1
C
9 H
8 O
3
Aromatic acid
y
U. Kuzhiumparambil et al.