CID spectra were added to the in‐house library according to Broecker et al.23 This procedure involved diluting individual 1 mg/mL stock solutions of SCs in methanol to 100 ng/mL and then 1 μL was injected on a guard column with 0.1% formic acid in water and 0.1% formic acid in acetonitrile (50:50) as mobile phase. Three CID spectra of the protonated compound using collision energies of 10, 20, and 40 eV were acquired.
The acquired CID spectra were transferred to the library file using MassHunter Qualitative software (Qual) B.07.01 and MassHunter PCDL Manager B.07.01 (Agilent). In this process the fragment masses in every spectrum were corrected to their theoretical masses. Fragments with intensities lower than 1% of the most abundant mass in each spectrum were deleted.
The acquired CID spectra were transferred to the library file using MassHunter Qualitative software (Qual) B.07.01 and MassHunter PCDL Manager B.07.01 (Agilent). In this process the fragment masses in every spectrum were corrected to their theoretical masses. Fragments with intensities lower than 1% of the most abundant mass in each spectrum were deleted.