Table 1. Identified Components of the Hemp Extract Analyzed via LC-MS/MS and Molecular Networking (MN) and the Main Parameters Supporting Their Identificationa,b.
| family | assignment | formula | tR (min) | precursor ion (m/z) | fragments (m/z) | identification criteria |
|---|---|---|---|---|---|---|
| cannabinoid | cannabielsoic acid (4b) | C22H30O5 | 2.99 | 375.06 | 357.14, 339.14 | MN - isolation |
| cannabinoid | new cannabinoid (6) | C21H32O4 | 3.96 | 349.21 | 331.20, 313.22, 273.28, 231.25, 193.24, 181.19 | MN - isolation |
| flavonoid | cannflavin B | C21H20O6 | 4.79 | 369.12 | 313.07, 217.22, 133.0 | standard - isolation |
| cannabinoid | new cannabinoid (7) | C21H30O4 | 5.83 | 347.22 | 329.20, 311.22 | isolation |
| cannabinoid | new cannabinoid (8) | C21H30O3 | 7.24 | 331.22 | 313.13, 193.12 | MN - isolation |
| cannabinoid | not assigned | 7.91 | 333.04 | 315.29, 277.34, 251.12, 193.24 | ||
| cannabinoid | cannabielsoin (4a) | C21H30O3 | 9.46 | 331.21 | 313.20, 271.15, 205.14, 181.14 | MN - isolation |
| cannabinoid | anhydrocannabimovone (5) | C21H28O3 | 9.92 | 329.20 | 311.23, 287.16, 193.19, 181.17 | MN - isolation |
| flavonoid | cannflavin A | C26H28O6 | 11.14 | 437.16 | 381.11, 327.18, 313.16 | standard - isolation |
| cannabinoid | cannabidiolic acid | C22H30O | 11.24 | 359.03 | 341.38, 219.13, 193.22 | standard - isolation |
| cannabinoid | cannabidiol (2) | C12H30O2 | 12.09 | 315.34 | 297.24, 259.10, 235.20, 193.17, 181.12, 135.15 | standard - isolation |
| fatty acid | γ-linolenic acid | C18H30O2 | 13.58 | 279.23 | 261.19, 243.20, 223.17 | standard |
| cannabinoid | cannabinodiol | C21H26O2 | 13.84 | 311.28 | 293.19, 283.17, 173.15 | standard |
| cannabinoid | Δ9-tetrahydrocannabinol (1) | C21H30O2 | 14.75 | 315.30 | 259.11, 245.18, 235.19, 193.11, 181.12, 135.16 | standard |
| cannabinoid | cannabidiphorol | C23H34O2 | 14.88 | 343.20 | 287.12, 263.17, 221.13, 209.10, 193.08, 135.20 | tentative identification by LC-MS/MS |
| fatty acid | linoleic acid | C18H32O2 | 15.43 | 281.15 | 263.20, 245.18, 225.17 | standard |
| cannabinoid | cannabichromene | C21H30O2 | 15.85 | 315.14 | 259.11, 245.18, 233.21, 193.11, 181.12, 135.16 | standard |
| fatty acid | oleic acid | C18H34O2 | 17.58 | 283.20 | 265.23, 247.24 | standard |
| cannabinoid | cannabitwinol (3) | C43H60O4 | 22.65 | 641.37 | 598.39, 327.13, 315.26 | MN - standard |
a
Compounds are listed in order of LC-MS elution. All mass peaks are [M + H]+ adducts.
b
MS/MS spectra are reported in the Supporting Material.