Table 1.
Characterization and identification of metabolites found in myrrh methanolic extract using high-performance liquid chromatography time-of-flight mass spectrometry (HPLC/DAD-QTOF MS/MS).
| Peak No. | ESI-MS Rt (min) |
Observed Mass (m/z) | Calculated Mass (m/z) | Error (ppm) | Molecular Formula | Key MSE Fragment Ions (m/z) | Identification |
|---|---|---|---|---|---|---|---|
| A | 6.13 | 288.148 | 288.136 | −0.5 | C17H20O4 | [M-CH3]+ 273.113, [M-2CH3]+ 259.089, [M-3CH3]+ 243.118, and [M-CO2CH3]+ 246.118 | 4,5-Dihydrofuranodienone |
| B | 6.35 | 231.155 | 231.131 | −1.8 | C15H18O2 | [M-CH3]+ 215.107, [M-2CH3]+ 200.084, and [M-3CH3]+ 185.023 | Furanodienone |
| C | 6.78 | 313.157 | 313.149 | −0.5 | C22H32O2 | [M-CH3]+ 297.222, [M-2CH3]+ 282.198, [M-3CH3]+ 267.175, [M-4CH3]+ 252.151, and [M-5CH3]+ 237.128, |
Mansumbinone |
| D | 7.25 | 269.133 | 269.129 | −0.7 | C20H30 | [M-CH3]+ 258.235, [M-2CH3]+ 243.211, [M-3CH3]+ 228.188, [M-4CH3]+ 213.164, and [M-C3H5]+ 231.211, 41.039 |
Cembrene-A |
| E | 6.93 | 404.421 | 404.417 | −0.6 | C28H48O | [M-CH3]+ 385.347, [M-2CH3]+ 370.324, [M-3CH3]+ 355.300, [M-4CH3]+ 340.277, [M-5CH3]+ 325.253, and [M-C9H19]+ 273.222, 127.149. |
Campestan-3b-ol |
| F | 7.70 | 301.158 | 301.147 | −0.9 | C21H28O2 | [M-CH3]+ 301.217, [M-2CH3]+ 286.193, and [M-3CH3]+ 271.170. |
Pregnadienes |
| G | 8.08 | 253.133 | 253.125 | −0.8 | C15H18O2 | [M-CH3]+ 238.131, [M-2CH3]+ 223.107, and [M-3CH3]+ 208.084. |
Z,4Z-Furanodien-6-one |
| H | 8.64 | 418.7695 | 416 | −1.2 | C27H44O3 | [M-CH3]+ 374.266, [M-2CH3]+ 359.243, [M-3CH3]+ 355.300, [M-4CH3]+ 344.243, [M-5CH3]+ 329.219, and [M-C8H17]+ 273.222, 113.133. |
Guggulsterols |
| I | 9.66 | 331.2109 | 331.2097 | −1.4 | C22H34O2 | [M-CH3]+ 315.232, [M-2CH3]+ 300.209, [M-3CH3]+ 285.185, and [M-C2H3O2]+ 271.243 |
3,4-Seco-mansumbinoic acid |