Table 1.
S. N | R.T (min) | Compound Name | m/z | PA (%) | Molecular Weight | Molecular Formula |
---|---|---|---|---|---|---|
1 | 4.94 | 2-pentene, 3-ethyl-4,4-dimethyl- | 97.0 | 1.34 | 126.24 | C9H18 |
2 | 4.94 | 3H-pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl- | 97.0 | 1.34 | 126.16 | C6H10N2O |
3 | 6.22 | guanosine | 44.0 | 0.09 | 283.24 | C10H13N5O5 |
4 | 6.22 | heptanal | 44.0 | 0.09 | 114.19 | C7H14O |
5 | 6.80 | 1,2,3-benzenetriol | 126.0 | 76.9 | 126.11 | C6H3(OH)3 |
6 | 8.34 | dodecanoic acid, 2,3-bis(acetyloxy)propyl ester | 73.0 | 0.76 | 358.5 | C19H34O6 |
7 | 8.31 | trans-4-hydroxycyclohexanecarboxylic acid | 126.0 | 1.77 | 144.17 | C7H12O3 |
8 | 8.31 | beta-D-glucopyranose, 1,6-anhydro- | 126.0 | 1.78 | 162.14 | C6H10O5 |
9 | 9.25 | alpha-D-galactopyranoside, methyl | 60.0 | 1.08 | 194.18 | C7H14O6 |
10 | 9.25 | lactose | 60.0 | 1.07 | 342.3 | C12H22O11 |
11 | 9.09 | gamma-guanidinobutyric acid | 44.0 | 0.11 | 145.16 | C5H11N3O2 |
12 | 9.43 | undecanal | 44.0 | 0.13 | 170.29 | C11H22O |
13 | 9.43 | bromoacetic acid, 2-pentadecyl ester | 44.0 | 0.13 | 349.3 | C17H33BrO2 |
14 | 9.43 | bromoacetic acid, 4-tridecyl ester | 44.0 | 0.13 | 321.29 | C15H29BrO2 |
15 | 11.14 | bicyclo[3.2.1]octan-3-one, 6-hydroxy-, exo-(.+-.)- | 44.0 | 0.07 | 140.18 | C8H12O2 |
16 | 11.14 | 4-aminobutyramide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-N’,N’-bis(trifluoroacetyl)- | 44.0 | 0.06 | 429.36 | C17H21F6N3O3 |
17 | 11.73 | benzoic acid, 3,4,5-trimethoxy- | 181.0 | 0.48 | 212.2 | C10H12O5 |
18 | 11.73 | 2,3,4-trimethoxybenzoic acid | 181.0 | 0.48 | 212.2 | C10H12O5 |
19 | 11.86 | 9-octadecenoic acid, (2-phenyl-1,3-dioxolan-4-yl)methyl ester, cis- | 73.0 | 0.17 | 444.6 | C28H44O4 |
20 | 11.86 | 2,4-octadienoic acid, 7-hydroxy-6-methyl-, [r-[r*,s*-(E,E)]]- | 73.0 | 0.17 | 170.21 | C9H14O3 |
21 | 12.74 | androstan-17-one, 3-methoxy-16,16-dimethyl-, (3.beta.,5.alpha.)- | 44.0 | 0.06 | 332.5 | C22H36O2 |
22 | 13.54 | andrographolide | 44.0 | 0.03 | 350.4 | C20H30O5 |
23 | 13.54 | acetic acid, 7-hydroxy-1,3,4,5,6,7-hexahydro-2H-naphthalen-4a-ylmethyl ester | 44.0 | 0.03 | 224.3 | C13H20O3 |
24 | 13.45 | hexadecanoic acid, methyl ester | 74.0 | 0.84 | 270.5 | C17H34O2 |
25 | 13.45 | pentadecanoic acid, 14-methyl-, methyl ester | 74.0 | 0.83 | 270.5 | C17H34O2 |
26 | 13.45 | heptadecanoic acid, methyl ester | 74.0 | 0.84 | 284.5 | C18H36O2 |
27 | 14.26 | pterin-6-carboxylic acid | 44.0 | 0.09 | 207.15 | C7H5N5O3 |
28 | 14.26 | eicosanoic acid, phenylmethyl ester | 44.0 | 0.09 | 402.7 | C27H46O2 |
29 | 14.26 | imidazole, 2-amino-5-[(2-carboxy)vinyl]- | 44.0 | 0.09 | 153.14 | C6H7N3O2 |
30 | 15.24 | carbamic acid, N-[10,11-dihydro-5-(2-methylamino-1-oxoethyl)-3-5H-dibenzo[b,f]azepinyl]-, ethyl ester | 44.0 | 0.08 | 353.4 | C20H23N3O3 |
31 | 15.17 | 9,12-octadecadienoic acid, methyl ester, (E,E) | 67.0 | 0.21 | 294.5 | C19H34O2 |
32 | 15.17 | linoelaidic acid | 67.0 | 0.21 | 280.4 | C18H32O2 |
33 | 15.67 | gamma-guanidinobutyric acid | 44.0 | 0.03 | 145.16 | C5H11N3O2 |
34 | 16.29 | 9-octadecenoic acid (Z)-, phenylmethyl ester | 44.0 | 0.54 | 372.6 | C25H40O2 |
35 | 16.29 | 3-trifluoroacetoxypentadecane | 44.0 | 0.05 | 324.4 | C17H31F3O2 |
36 | 17.90 | 2-hexadecanol | 44.0 | 0.04 | 242.44 | C16H34O |
37 | 17.90 | 2-propenoic acid, 1-methylundecyl ester | 44.0 | 0.05 | 240.38 | C15H28O2 |
38 | 20.10 | hexadecanoic acid, 2-hydroxy-1-(hydroxymet hyl)ethyl ester | 43.0 | 0.22 | 330.5 | C19H38O4 |
39 | 20.10 | glycerol 1-palmitate | 43.0 | 0.23 | 330.5 | C19H38O4 |
40 | 20.10 | eicosanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester | 43.0 | 0.22 | 386.6 | C23H46O4 |
41 | 20.10 | tetradecanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester | 43.0 | 0.22 | 302.4 | C17H34O4 |
42 | 20.10 | 2- bromopropionic acid, pentadecyl ester | 43.0 | 0.23 | 363.4 | C18H35BrO2 |
43 | 23.61 | dichloroacetic acid, 4-pentadecyl ester | 44.0 | 0.01 | 339.3 | C17H32Cl2O2 |
44 | 23.99 | acetic acid, 17-(4-hydroxy-5-methoxy-1,5-dimethylhexyl)-4,4,10,13,14-pentamethyl- | 207.0 | 0.13 | 516.799 | C33H56O4 |
45 | 23.99 | d-mannitol, 1,1’-O-1,16-hexadecanediylbis- | 207.0 | 0.13 | 586.8 | C28H58O12 |
46 | 24.52 | 9-octadecenamide | 59.0 | 4.66 | 281.5 | C18H35NO |
47 | 25.17 | stearic acid, 3-(octadecyloxy)propyl ester | 207.0 | 0.09 | 595 | C39H78O3 |
48 | 25.17 | 4-tetradecanol | 207.0 | 0.08 | 214.39 | C14H30O |
49 | 25.72 | thymol, TMS derivative | 207.0 | 0.14 | 150.22 | C10H14O |
S.N: serial number; R.T: retention time; PA: peak area.