Table I.
Mass signals from root extracts used for assessing the variance of the CapLC-ESI-QqTOF-MS analysis
A total of 21 signals and the internal standard biochanin A were chosen. Listed here are their high-resolution (HR) masses and retention times (tR) as identifiers. Based on the mass, elemental compositions were calculated and the corresponding compounds were tentatively identified.
| HR Mass | tR | Elemental Composition (if available) | Compound | Substance Class |
|---|---|---|---|---|
| m/z | min | |||
| 138.1277 | 46.5 | C9H16N | 9-Methylthiononanenitrile [M + H-CH3SH]+ | Nitrile |
| 138.1277 | 26.5 | C9H16N | 9-Methylsulphinylnonanenitrile [M + H-CH4SO]+ | Nitrile |
| 160.0756 | 38.8 | C10H10NO | Methoxy-substituted indole | Indole |
| 160.0756 | 30.1 | C10H10NO | Methoxy-substituted indole | Indole |
| 179.0722 | 24.2 | |||
| 202.1251 | 26.5 | C10H20NOS | 9-Methylsulphinylnonanenitrile [M + H]+ | Nitrile |
| 234.0986 | 35.9 | C10H20NOS2 | 8-Methylsulphinyloctyl ITC (hirsutin [M + H]+) | Isothiocyanate |
| 256.0798 | 35.9 | C10H19NOS2Na | 8-Methylsulphinyloctyl ITC (hirsutin [M + Na]+) | Isothiocyanate |
| 277.1416 | 43.4 | |||
| 285.0756 | 40.7 | C16H13O5 | Biochanin A (internal standard) | Isoflavone |
| 317.1200 | 4.6 | |||
| 381.0858 | 4.7 | |||
| 429.2454 | 4.7 | |||
| 438.1396 | 24.0 | |||
| 441.1396 | 24.2 | C20H25O11 | Substituted ferulic acid glucoside? | |
| 457.1134 | 24.2 | C23H21O10 | Substuituted phenylpropane glucoside? | |
| 489.1708 | 35.9 | C20H38N2O2S4Na | 8-Methylsulphinyloctyl ITC (hirsutin. [2M + Na]+) | Isothiocyanate |
| 537.3151 | 43.4 | |||
| 553.2743 | 43.4 | |||
| 699.3608 | 38.8 | |||
| 810.2553 | 27.9 | |||
| 844.2019 | 28.0 |