5795c mass selective triple axis detector

For GC-MS analysis, 500 mg (FW) of the frozen ground leaf material was extracted twice with 1 mL of dichloromethane (Sigma-Aldrich, The Netherlands) containing 4.92 mM (Z)-nerolidol (Sigma-Aldrich, The Netherlands) as internal standard. The material was then sonicated for 15 min in an ultrasonic water bath (3510 Branson, USA) and centrifuged for 10 min at 1609 ×g (Harrier 15/80, MSE, United Kingdom). The dichloromethane extracts were dried through anhydrous sodium sulfate (Sigma-Aldrich, The Netherlands).
Samples were analysed on an Agilent 7890A gas chromatograph connected to the 5795C mass selective Triple-Axis Detector (Agilent Technologies, United States). For that purpose, 1 μl of extract was injected at 250 °C in splitless mode on a ZB-5MS column (Phenomenex, 30 m × 0.25 mm; ID 0.25 μm) with 5 m guard column with a constant flow of helium at 1 mL/min. The oven was programed for 1 min at 45 °C and then subsequently ramped at 10 °C/min to 300 °C, at which it was kept for 7 min. The ionization potential was set at 70 eV, and scanning was performed from 45 to 450 amu, with a scanning speed of 3.99 scans/s.

Sesquiterpene quantification was performed with GC‐MS. The chloroform: methanol: acetone 2:1:0.5 (v/v/v) extracts were dried by passing them through a Pasteur pipette filled with anhydrous sodium sulphate (Sigma‐Aldrich). Samples were analysed on an Agilent 7890A gas chromatograph connected to a 5795C mass selective Triple‐Axis Detector (Agilent Technologies, United States). For that purpose, 1 μL of extract was injected at 250 °C in splitless mode on a ZB‐5MS column (Phenomenex, 30 m × 0.25 mm; ID 0.25 μm) with 5 m guard column with a constant flow of helium at 1 mL/min. The oven was programmed for 1 min at 45 °C and then subsequently ramped at 10 °C/min to 300 °C and kept for a final time of 5 min with a solvent delay of 5.5 min. The ionization potential was set at 70 eV, and scanning was performed from 45 to 400 atomic mass units, with a scanning speed of 3.99 scans/sec. Quantification was performed with an external calibration curve from α‐bisabolol (Sigma‐Aldrich). The Henry's law constants were calculated with the HENRYWIN program available online (https://www.epa.gov/tsca-screening-tools/epi-suitetm-estimation-program-interface) at 25 °C [HENRYWIN v3.10] Bond Method.