No | CAS number | RT(min) | Name of the compound | Molecular formula | Molecular weight | Peak area(%) |
---|---|---|---|---|---|---|
1 | 28,564-83-2 | 5.534 | 4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl | C6H8O4 | 144 | 1.40 |
2 | 78-39-7 | 5.822 | 1,1,1-triethoxy-ethan | C8H18O3 | 162 | 1.06 |
3 | 140-67-0 | 5.902 | Estragole | C10H12O | 148 | 0.06 |
4 | 496-16-2 | 5.992 | Benzofuran, 2,3-dihydro | C8H8O | 120 | 0.43 |
5 | 67-47-0 | 6.045 | 5-Hydroxymethylfurfural | C6H6O3 | 126 | 1.08 |
6 | 490-91-5 | 6.267 | Thymoquinone | C10H12O2 | 164 | 0.02 |
7 | 123-11-5 | 6.342 | Benzaldehyde, 4-methoxy | C8H8O2 | 136 | 0.08 |
8 | 42,786-06-1 | 6.419 | 4H-1,2,4-Triazol-3-amine, 4-ethyl | C4H8N4 | 112 | 0.36 |
9 | 540-97-6 | 6.501 | Cyclohexasiloxane, dodecamethyl | C12H36O6Si6 | 444 | 0.30 |
10 | 104-46-1 | 6.555 | Anethole | C10H12O | 148 | 1.62 |
11 | – | 6.605 | Succinic acid, nonyl 4-tert-butylphenyl ester | C23H36O4 | 376 | 0.20 |
12 | – | 6.675 | 7,7,9,9-Tetramethyl-3,6,8,10,13-pentaoxa-7,9-disilapentadecane | C12H30O5Si2 | 310 | 0.03 |
13 | 1450-72-2 | 6.750 | Ethanone, 1-(2-hydroxy-5-methylphenyl) | C9H10O2 | 150 | 0.10 |
14 | 6236-09-5 | 7.024 | Citramalic acid | C5H8O5 | 148 | 0.19 |
15 | 122-84-9 | 7.322 | 2-Propanone, 1-(4-methoxyphenyl) | C10H12O2 | 164 | 0.16 |
16 | 87-66-1 | 7.472 | 1,2,3-Benzenetriol | C6H6O3 | 126 | 1.18 |
17 | 475-20-7 | 7.724 | Longifolene | C15H24 | 204 | 0.06 |
18 | 107-50-6 | 7.884 | Cycloheptasiloxane, tetradecamethyl | C14H42O7Si7 | 518 | 0.13 |
19 | 96–76-4 | 8.349 | 2,4-Di-tert-butylphenol | C14H22O | 206 | 0.75 |
20 | 2217-60-9 | 8.790 | p-Cymene-2,5-diol | C10H14O2 | 166 | 0.82 |
21 | 51,410-48-1 | 9.072 | 1-(4-Methoxyphenyl)propane-1,2-diol | C10H14O3 | 182 | 0.80 |
22 | 501-97-3 | 9.728 | Benzenepropanoic acid, 4-hydroxy | C9H10O3 | 166 | 5.07 |
23 | 36,256-85-6 | 10.640 | D-Fructose, 3-O-methyl | C7H14O6 | 194 | 3.15 |
24 | 544-63-8 | 10.738 | Tetradecanoic acid | C14H28O2 | 228 | 0.23 |
25 | 1120-16-7 | 10.815 | Dodecanamide | C12H25NO | 199 | 0.11 |
26 | 556-71-8 | 10.921 | Cyclononasiloxane, octadecamethyl | C18H54O9Si9 | 666 | 0.07 |
27 | 58-08-2 | 11.851 | Caffeine | C8H10N4O2 | 194 | 23.39 |
28 | 83-67-0 | 12.100 | Theobromine | C7H8N4O2 | 180 | 1.77 |
29 | 373-49-9 | 12.532 | Palmitoleic acid | C16H30O2 | 254 | 0.26 |
30 | 57-10-3 | 12.803 | n-Hexadecanoic acid | C16H32O2 | 256 | 8.70 |
31 | 628-97-7 | 13.019 | Hexadecanoic acid, ethyl ester | C18H36O2 | 284 | 0.50 |
32 | 20,675-96-1 | 13.081 | trans-Sinapyl alcohol | C11H14O4 | 210 | 0.05 |
33 | 112-80-1 | 13.454 | Oleic Acid | C18H34O2 | 112 | 0.08 |
34 | – | 14.026 | 9-Undecenal, 2,10-dimethyl | C13H24O | 196 | 0.48 |
35 | 80,600-76-0 | 14.534 | (Z)-18-Octadec-9-enolide | C18H32O2 | 280 | 28.27 |
36 | 60-33-3 | 15.139 | 9,12-Octadecadienoic acid (Z,Z) | C18H32O2 | 280 | 0.06 |
37 | 589-68-4 | 15.830 | Tetradecanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester | C17H34O4 | 302 | 0.01 |
38 | 7370-49-2 | 16.124 | cis-13,16-Docasadienoic acid | C22H40O2 | 336 | 1.34 |
39 | 301-02-0 | 16.372 | 9-Octadecenamide | C18H35NO | 281 | 13.52 |
40 | 119-47-1 | 16.748 | Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-methyl | C23H32O2 | 340 | 0.15 |
41 | 556-71-8 | 17.129 | Cyclononasiloxane, octadecamethyl | C18H54O9Si9 | 666 | 0.08 |
42 | 23,470-00-0 | 17.523 | Hexadecanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester | C19H38O4 | 330 | 1.70 |
43 | 1989-52-2 | 18.765 | 3β-tetradecanoyloxycholest-5-ene | C41H72O2 | 596 | 0.01 |
44 | 83-47-6 | 24.751 | Gamma.-Sitosterol | C29H50O | 414 | 0.15 |