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. 2021 Mar 29;26(7):1908. doi: 10.3390/molecules26071908

Table 3.

Compounds identified from the aqueous extract of A. indica using Q Exactive HF Orbitrap mass spectrometry and Compound Discoverer 3.0. Number shows the respective compound structures can be referred in supplementary Figure S1.

No Identified Compounds Class Retention Time Formula
1 Glutamic acid Amino acid 0.623 C5H9NO4
2 Arginine Amino acid 0.687 C6H14N4O2
3 Histidine Amino acid 0.689 C6H9N3O2
4 γ-Aminobutyric acid Amino acid 0.734 C4H9NO2
5 Valine Amino acid 0.752 C5H11NO2
6 Tyrosine Amino acid 0.845 C9H11NO3
7 N3, N4-Dimethylarginine Amino acid 0.854 C8H18N4O2
8 Leucine Amino acid 0.896 C6H13NO2
9 Phenylalanine Amino acid 1.202 C9H11NO2
10 1-Aminocyclohexanecarboxylic acid Amino acid 1.203 C7H13NO2
11 4-Methoxybenzaldehyde Aromatic 3.504 C8H8O2
12 Scopoletin Aromatic 4.351 C10H8O4
13 2-Methylcyclohexan-1,3-dione Cyclic ketone 1.502 C7H10O2
14 Jasmone Cyclic ketone 7.041 C11H16O
15 3-Hexenoic acid Fatty acyl 1.873 C6H10O2
16 9S,13R-12-Oxophytodienoic acid Fatty acyl 7.369 C18H28O3
17 Decanamide Fatty acyl 8.086 C10H21NO
18 Myricetin 3-O-galactoside Flavonoid 4.717 C21H20O13
19 Trifolin Flavonoid 5.412 C21H20O11
20 Isorhamnetin Flavonoid 5.54 C16H12O7
21 Quercetin Flavonoid 5.032 C15H10O7
22 Kaempferol Flavonoid 5.303 C15H10O6
23 Pyroglutamic acid Heterocyclic 0.827 C5H7NO3
24 β,β-Dimethyl-γ-methylene-γ-butyrolactone Heterocyclic 1.612 C7H10O2
25 Pipecolic acid Heterocyclic 1.049 C6H11NO2
26 6-Methyl-2-pyridinemethanol Heterocyclic 1.084 C7H9NO
27 Indole-3-acrylic acid Heterocyclic aromatic 1.935 C11H9NO2
28 2,4-Quinolinediol Heterocyclic aromatic 3.241 C9H7NO2
29 Valylproline Peptide 1.464 C10H18N2O3
30 Prolylleucine Peptide 1.531 C11H20N2O3
31 p-Coumaric acid Phenolic 3.205 C9H8O3
32 Ferulic acid Phenolic 3.705 C10H10O4
33 Phloretin Phenolic 5.399 C15H14O5
34 Guanine Purine 0.787 C5H5N5O
35 Adenine Purine 0.804 C5H5N5
36 1-Methyladenine Purine 0.83 C6H7N5
37 2′-Deoxyadenosine Purine 1.192 C10H13N5O3
38 2′-O-Methyladenosine Purine 1.608 C11H15N5O4
39 Pulegone Terpenoid 3.61 C10H16O
40 Caryophyllene oxide Terpenoid 6.354 C15H24O
41 Nicotinic acid Vitamin B3 0.836 C6H5NO2
42 Nicotinamide Vitamin B3 0.894 C6H6N2O