Sapiens 5ms capillary column

GC-MS analysis was performed with a GC coupled to a tandem mass spectrometer GC-MS-TQ 8050 NX Shimadzu (Tokyo, Japan), operating in Q3 scan mode and equipped with a 30 m long, 250 μm i.d., and 0.5 μm film thickness SAPIENS-5MS capillary column (Teknokroma, Barcelona, Spain). The oven temperature was programmed to increase from 75 to 300 °C at a rate of 5 °C/min, with 5 min hold at 75 °C and 25 min hold at 300 °C. Carrier gas He was kept at a constant flow rate of 0.8 mL/min. Pressure was 45.9 kPa, split ratio was 75:1, injector temperature 280 °C, interface temperature 310 °C, and ionization voltage 70 eV. Compounds were identified by computer searches of commercial libraries, comparison with spectra of authentic samples, and data from the literature. The percentage values in Table S3 refer to the percentage of the total ion current (TIC) and are semi-quantitative (semi-quantification was performed by internal normalization.)

GC-MS measurements were performed on a Shimadzu GCMS-QP2010 Ultra instrument (Kyoto, Japan). Splitless mode (valve opened at 1 min) was used to inject the final extracts into the gas-chromatograph interfaced with a mass selective detector. The chromatographic column was a Sapiens-5MS+ capillary column (30 m × 0.25 mm internal diameter × 0.25 μm film thickness) from Teknokroma (Barcelona, Spain). with helium as a carrier gas at a constant velocity (50 cm/s). The oven temperature conditions were as follows: started at 100 °C, maintained at this temperature for 2 min, elevated at 15 °C min⁻¹ to 115 °C, increased at 80 °C min⁻¹ until 300 °C and maintained for 6 min at 300 °C. The total run time was 11 min. The ion source and transfer line temperatures were set to 250 °C and 280 °C, respectively. Following a 2.5 min solvent delay, the mass detector was operated in synchronous selected ion monitoring (SIM) mode (m/z 117, 118, 217, 218, 191, 195, 231) using a dwell time of 150 ms and scan mode ranging from m/z 65 to m/z 280 m/z using a dwell time of 3 ms. Identification of the analytes in the sample extracts was achieved via GC retention time and comparison with reference standards. One μL was injected into the chromatographic system and four pre- and post-injection washes (in cyclohexane) were performed between injections.