Agilent 7200 gc qtof

Reagents and anhydrous solvents were purchased from Sigma-Aldrich (St. Louis, MO, USA) or Alfa Aesar (Tewksbury, MA, USA). All other chemicals were used without purification unless otherwise noted. NMR spectra were acquired on a JEOL 400 MHz NMR spectrometer (JEOL, Peabody, MA, USA) with chloroform-d₁ (δ_H = 7.26 ppm δ_C = 77.23 ppm) or acetone-d₆ (δ_H = 2.05 ppm δ_C = 206.26 ppm). All coupling constants were generated by the MestReNova (Version 11.0, Mestrelab, Santiago de Compostela, Spain) program and were uncorrected. Chromatography was performed with Biotage KP-SIL™ (Biotage USA, Charlotte, NC, USA) or KP-NH™ (Biotage USA, Charlotte, NC, USA) cartridges or Silicycle silica gel (porosity = 60 Å, particle size 40–63 μm). Microwave reactions were run on the Discover Microwave System by CEM Corporation (Matthews, NC, USA). HRMS was acquired with an Agilent 7200 GC/QTOF (Agilent Technologies, Santa Clara, CA, USA) or Bruker Bio TOF II (Bruker, Billerica, MA, USA) with Electrospray Ionization.

The derivatization and experimental parameters for both aqueous and organic fractions were performed as described elsewhere [19 ]. Agilent 7200 GC/Q-TOF (Santa clara, CA, USA) was used for acquisition with absolute retention times, which was locked to the internal standard d27 myristic acid from the Agilent Fiehn GC/MS Metabolomics Standards Kit (Part Number 400505; (Santa clara, CA, USA).with a retention time locking (RTL) software system. The GC/Q-TOF conditions used are provided in Table 3.