GC

GC-MS Chemical Fingerprinting Simulator

Spreadsheet-Based Simulation for Iterative Stationary-Phase Selection & Experimental Design in Chemical Fingerprinting with GC-MS
Thaveesangsakulthai, I.; Kulsing, C. J. Chem. Educ. 2021, 98, 2714-2719
Stationary Phase Column
nonpolar low polar midpolar polar IL (highly polar)
Column Dimensions
Column Length (L)
m
Internal Diameter (dc)
mm
Carrier Gas Flow (F)
mL/min
Plate Height (H)
m
Oven Temperature Program
Initial Temp (T0)
C
Hold Time at T0
min
Heat Rate (g)
C/min
Max Run Time
min
MS Detector (TIC / EIC)
Selected m/z
Mass Tol (Da)
Set Mass Tol ≥ 100 for Total Ion Chromatogram (all ions); set to ~0.5 for Extracted Ion Chromatogram at selected m/z.
-
Resolved Peaks (Rs>=1.5)
-
Peak Capacity
-
Last Peak (min)
-
tM (min)
-
Min Rs
Simulated GC-MS Chromatogram
TIC/EIC Signal Selected Peak (click on chart or table)
Click the chromatogram or a table row to highlight a compound - Adjust parameters, then click "Run Simulation"