Metabolite Profiles of the Green Beans of Indonesian Arabica Coffee Varieties

Table 1

Characteristic ¹H NMR signals of the identified compounds.

No.	Compound	Chemical shift (ppm)
1.	3-CQA	2.05 (H-13a and H-15a, m), 2.20 (H-13e and H-15e, m), 6.39 (H-1, d), 6.86 (H-5, d), 7.03 (H-4, m), 7.12 (H-8, brs)7.60 (H-2, d)
2.	4-CQA	2.05 (H-13a and H-15a, m), 2.20 (H-13e and H-15e, m), 4.34 (H-12, m), 6.36 (H-1, d), 6.86 (H-5, d), 7.02 (H-4, m), 7.09 (H-8, brs), 7.57 (H-2, d)
3.	5-CQA	2.05 (H-13a and H-15a, m), 2.20 (H-13e and H-15e, m), 3.90 (H-11, dd), 4.27 (H-12, brs), 5.34 (H-10, m), 6.31 (H-1, d), 6.86 (H-5, d), 7.00 (H-4, m), 7.06 (H-8, brs), 7.54 (H-2, d)
4.	Acetic acid	1.93 (H-2, s)
5.	Alanine	1.49 (H-3, d)
6.	Asparagine	2.87 (H-3b, dd), 2.97 (H-3a, dd)
7.	Caffeine	3.22 (H-11, s), 3.39 (H-10, s), 3.85 (H-12, s), 7.77(H-8, s)
8.	Choline	3.21 (H-3, H-4, H-5, s), 3.49 (H-1, t)
9.	Citric acid	2.62 (H-1, d), 2.72 (H-3, d)
10.	Formic acid	8.47 (s)
11.	GABA	2.32 (H-4, t), 3.03 (H-2, t)
12.	Myo-inositol	3.27 (H-5, t), 3.53 (H-2, m), 3.62 (H-4, H-6, m)
13.	Lactic acid	1.34 (H-3, brs), 4.12 (H-2, m)
14.	Lipid	0.90 (m), 0.96 (brs), 1.30 (m)
15.	Malic acid	2.42 (H-2a, m), 2.68 (H-2b, m), 4.33 (H-1, m)
16.	Quinic acid	1.89 (H-2a, dd), 1.98 (H-6a, m), 2.05 (H-2e and H-6e, m), 4.01 (H-3, m), 4.16 (H-5, m)
17.	Sucrose	3.46 (H-4, t), 3.57 (H-2, dd), 3.69 (H-1, s), 3.78 (H-3, t), 3.84 (H-6, H-6, m), 3.86 (H-5, m), 3.90(H-5, m), 4.07 (H-3, t), 4.23 (H-4, d), 5.42 (H-1, d)
18.	Trigonelline	4.43 (H-8, s), 8.07 (H-5, t), 8.82 (H-6, m), 8.84 (H-4, m), 9.11 (H-2, s)