Table 2 Metabolites putatively identified in extracts of S. repens berries by MALDI-TOF/TOF analysis in negative mode.
From: A substitute variety for agronomically and medicinally important Serenoa repens (saw palmetto)
Constituents | Measured [M-H]− | Theoretical [M-H]− | Mass measurement accuracy (Δ ppm) | SP Relative Intensities | SL Relative Intensities | METLIN ID |
|---|---|---|---|---|---|---|
Fatty acids | ||||||
Isomyristicin | 191.080 | 191.071 | 47.10 | — | 1.932 | 90582 |
Hexadecanoic acid (palmitic acid) | 255.227 | 255.233 | −23.51 | 1.69 | 0.86 | 187 |
Heptadecanoic acid (margaric acid) | 269.257 | 269.248 | 33.43 | 2.06 | 0.42 | 4206 |
2,3-Dihydroxypropyl dodecanoate (1-Monolaurin) | 273.187 | 273.207 | −73.20 | 4.89 | 8.06 | 344007 |
9,12-Octadecadienoic acid (linoleic acid) | 279.245 | 279.233 | 42.97 | 1.20 | 0.70 | 191 |
11-Octadecenoic acid (vaccenic acid) | 281.210 | 281.248 | −135.11 | 1.29 | 1.90 | 3552 |
9-Octadecenoic acid (oleic acid) | 281.244 | 281.248 | −14.22 | 6.64 | 5.35 | 190 |
n-Octadecanoic acid (stearic acid) | 283.256 | 283.264 | −28.24 | 2.58 | 0.45 | 189 |
11-Eicosenoic acid (gondoic acid) | 309.298 | 309.279 | 61.43 | 5.01 | 0.83 | 3554 |
Eicosanoic acid (arachidic acid) | 311.287 | 311.295 | −25.70 | 9.45 | 41.27 | 401 |
Docosanoic acid (behenic acid) | 339.327 | 339.326 | 2.95 | 2.56 | 10.18 | 344007 |
Fatty alcohols | ||||||
1,20-Eicosanediol | 313.322 | 313.311 | 35.11 | 2.86 | 2.84 | 95423 |
1-Docosanol (behenyl alcohol) | 325.328 | 325.347 | −58.40 | 9.86 | 37.74 | 4298 |
1-Tetracosanol (lignoceryl alcohol) | 353.370 | 353.378 | −22.64 | 0.8 | 1.31 | 46173 |
Phytosterols | ||||||
Campest-5-en-3beta-ol (campesterol) | 399.386 | 399.363 | 57.59 | 0.98 | 0.71 | 167 |
Stigmasta-5,22-dien-3beta-ol (stigmasterol) | 411.326 | 411.363 | −89.94 | — | 0.33 | 168 |
Cycloarterenol (cycloartenol) | 425.345 | 425.378 | −77.58 | — | 0.41 | 34476 |
beta-sitosteryl-beta-D-glucopyranoside (daucosterol) | 575.481 | 575.431 | 86.89 | 0.45 | 0.34 | 89636 |
Other lipids | ||||||
Dodecanoic acid (lauric acid) | 199.174 | 199.170 | 20.08 | 3.74 | 3.06 | 357 |
5-Pentadecylresorcinol (resorcinol) | 319.277 | 319.264 | 40.72 | 1.56 | 2 | 68597 |
Propyl 9-octadecenoate (propyl oleate) | 323.287 | 323.295 | −24.75 | 1.65 | 2.01 | 97358 |
23-methyl-tetracosanoic acid | 377.338 | 377.342 | −10.60 | 2.9 | 2.47 | 73679 |
Polyprenoids | ||||||
3,7,11,15-Tetramethylhexadec-2-en-1-ol (phytol) | 295.318 | 295.300 | 60.95 | 1.37 | 0.45 | 391 |
Kaempferol 3-glucoside-7-xyloside | 579.169 | 579.135 | 58.71 | — | 0.42 | 50152 |
Flavonoids | ||||||
2-Hydroxyxanthone | 211.042 | 211.04 | 9.48 | — | 0.44 | 44452 |
2-Methoxyxanthone | 225.057 | 225.055 | 8.89 | — | 1.4 | 43829 |
3,4′,5,7-Tetrahydroxyflavone (kaempferol) | 285.037 | 285.040 | −10.52 | 1.82 | 0.36 | 3410 |
Apigenin-7-O-rhamnoglucoside (rhoifolin) | 577.152 | 577.156 | −6.93 | 0.67 | 0.79 | 44401 |
Saccharides | ||||||
6-Deoxy-L-Galactose (fucose) | 163.053 | 163.061 | −49.06 | 2.98 | — | 63169 |
(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one (D-Fructose) | 179.056 | 179.056 | 0 | 2.88 | 0.53 | 68675 |
(2R, 3R, 4R, 5R)-hexane-1,2,3,4,5,6-hexol (D-Mannitol) | 181.073 | 181.071 | 11.05 | 5.19 | 0.69 | 142 |
