Chem

Gas chromatography with methane chemical ionization and quadrupole-time of flight mass spectrometry obtains molecular ion species to automatically assign elemental formulas
We tested methane chemical ionization on 367 trimethylsilylated (TMS) derivatized metabolites using quadrupole time-of-flight detector (QTOF). We developed an algorithm to automatically detect molecular ion species and tested SIRIUS software on how accurate the determination of molecular formulas.
Gas chromatography with methane chemical ionization and quadrupole-time of flight mass spectrometry obtains molecular ion species to automatically assign elemental formulas