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. 2024 May 24;9(22):23476–23484. doi: 10.1021/acsomega.4c00513

Table 1. Overview of Instrument Specificities.

  setup A setup B
instrument Shimadzu GC2010 (Kyoto, Japan) Thermo Trace GC Ultra (Thermo Fisher, Bremen, Germany)
injector Split/splitless (SSL) injector Programmable temperature vaporizer (PTV)
column parameters TG5MS (Thermo Fisher Scientific; Waltham, MA, USA)
length: 30 m length
internal diameter: 0.25 mm
stationary phase thickness: 0.25 μm
liner deactivated packed wool glass SSL inlet liner (Shimadzu, Sydney, Australia) straight deactivated PTV metal liner (Thermo Fisher Scientific; Waltham, MA, USA)
injection parameters injection volume: 1 μL
temperature: 300 °C
split ratio: 1:25
carrier gas: helium
flow programming mode: flow control
carrier gas flow rate: 2 mL/min
oven temperature programming 60 °C (2 min), 10 °C/min to 300 °C (9 min)
total run time: 34 min
detectors TQ8040 MS (triple quadrupole) flame ionization detector (FID), TSQ Quantum XLS MS (triple quadrupole)
FID parameters   temperature: 300 °C
airflow: 350 mL/min
H2-flow: 35 mL/min
makeup (N2) flow: 30 mL/min
MSD parameters transfer line temperature: 250 °C
electron ionization (EI) source temperature: 200 °C
electron energy: 70 eV
emission current: 60 μA
filament power switch time: 0 min off, 6 min on
monitoring ions:
1. Full scan (m/z 40 to 500); scan time: 0.3 s
2. Multiple reaction monitoring (MRM, parameters see Figure 1);
collision gas: Argon
data acquisition and evaluation software GCMSsolution version 4.52 (Shimadzu) Thermo Xcalibur 4.4.16.14 (Thermo Fisher)