Tsq quantum xls triple quadrupole mass spectrometer

In GC–MS analysis, the extracted samples were derivatised with trimethylsilyl (TMS) as described by Chandra and Kumar (2017 (link)). An aliquot (2.0 µL) of derivatised sample was injected in GC–MS (Trace GC Ultra Gas Chromatograph, Thermo Scientific, USA) equipped with a TriPlus auto sampler coupled to TSQ Quantum XLS triple quadrupole mass spectrometer (Thermo Scientific, USA). Separation was carried out on DB-5 MS capillary column (30-m length × 0.25 µm I.D. × 0.25 mm film thickness of 5% phenyl and 95% methylpolysiloxane) with helium as the carrier gas at a flow rate of 1.1 mL min⁻¹. The temperature of GC oven was programmed started from 65 °C (hold for 2 min), increased to 230 °C at a rate of 6 °C min⁻¹ and finally reached to 290 °C (hold for 20 min) at a rate of 10 °C min⁻¹ increased. The transfer line temperature and ion source temperature were kept at 290 and 220 °C, respectively. The mass spectrum (MS) was operated in the positive electron ionization (+ EI) mode at an electron energy of 70 eV with a solvent delay of 7 min. The MS was operated in full-scan mode from m/z, 45–800. The detected organic compounds were identified by matching with the MS library NIST v. 1.0.0.12 available with instrument.

The derivatization of the extracted samples was carried out using trimethylsilyl (TMS). GC–MS (Trace GC Ultra Gas Chromatograph, Thermo Scientific, USA) equipped with a TriPlus auto sampler coupled to TSQ Quantum XLS triple quadrupole mass spectrometer (Thermo Scientific, USA) was injected with 2.0 µL aliquot of the derivatised sample. DB-5 MS capillary column (30-m length × 0.25 µm I.D. × 0.25 mm film thickness of 5% phenyl and 95% methylpolysiloxane) was used for the separation process. Helium was the carrier gas with a flow rate of 1.1 mL min⁻¹. The temperature for the GC oven varied starting at 65 °C (hold for 2 min) to gradually increasing up to 230 °C at the rate of 6 °C min⁻¹. The final temperature recorded, reached to 290 °C (hold for 20 min) at a rate of 10 °C min⁻¹ high.
For the mass spectrum the positive electron ionization (+ EI) mode at electron energy of 70 eV with a solvent hold-up of 7 min was followed for the operation. A full-scan mode from m/z, 45–800 was used for the operation of mass spectrum. MS library NIST v. 1.0.0.12 was used to detect and identify the organic compounds.

A Thermo Scientific TSQ Quantum XLS triple quadrupole mass spectrometer coupled with a Thermo Scientific Trace 1300 GC (San Jose, CA, USA) was used for GC–MS/MS analysis. An Rxi^®-5SiL MS column (20 m × 0.18 mm I.D., 0.18 μm film thickness) from Restek Corporation (Bellefonte, PA, USA) was used for the chromatographic separation of the compounds. The column temperature program started from 40 °C (hold 0.6 min), increased to 180 °C at the rate of 30 °C/min, then increased to 280 °C at the rate of 10 °C/min, then increased to 290 °C at the rate of 20 °C/min, and held at this final temperature for 5 min. The temperature of the injector port was 250 °C, and a 1 μL volume was injected into the splitless mode with a split flow of 50 mL/min and a splitless time of 1.0 min. The helium carrier gas flow rate was 0.85 mL/min. The ion source and transfer line temperature were 280 °C. The MS was operated in the electron ionization mode at 70 eV with the selective reaction monitoring (SRM) data acquisition mode. The MS/MS parameters are shown in Supplementary MaterialsTable S3.