FIU Mass Spectrometry and Infrared Libraries of Fentanyl Related Substances

Infrared Fentanyl Library Description of Instrumental and acquisition parameters: The database contains 248 fentanyl related substances which were obtained from Cayman Chemical. GC-IR studies were conducted using three different instruments, an Agilent Technologies 6890N Network GC System coupled to an IRD3 detector obtained from Analytical Solutions and Providers (ASAP) at FIU, an Agilent Technologies 7890B GC System coupled to an IRD3 detector obtained from Analytical Solutions and Providers (ASAP). The GC at FIU was operated in splitless mode with high purity helium as the carrier gas at a flow rate of 1.5 mL/min. The column used was a 30m x 0.32mm coated with 0.25µm (OV-5) purchased from Ohio Valley Specialty Company (Marietta, OH). The oven program consisted of an initial temperature of 100 °C without hold ramped by a rate of 30 °C/min to a final temperature of 310 °C and a final hold of 9 minutes. The GC inlet temperature was 270 °C with an injection volume of 3 µL (for a total amount of 1.2 µg of analyte mass loading). The IRD detector at FIU was operated at light pipe and transfer lines temperatures of 250 °C and all spectra were collected in the range 500-4000 cm-1 with a resolution of 8 cm-1. Each library standard was analyzed in triplicate using an autosampler. Mass Spectra Library Description of Instrumental and acquisition parameters:The database contains 248 fentanyl related substances which were obtained from Cayman Chemical. GC-MS studies at FIU were conducted using an Agilent Technologies 7890A GC System coupled to an Agilent Technologies 5975C inert mass spectrometer (MS). The GC was operated using a 5:1 split with high purity helium as the carrier gas at a flow rate of 1.5 mL/min. A 30 m (DB-5) column coated with 0.25µm-thick sorbent from Agilent Technologies was used. The oven program consisted of the same used for GC-IR studies. The GC inlet temperature was 270 °C with an injector volume of 1 µL (for a total amount of 400 ng of analyte mass loading). The MS was operated in scan range 34-600 amu with the electron ionization at 70eV while the source temperature was set at 230 °C, and the quadrupole temperature was set to 150 °C. Each library standard was analyzed in triplicate.