Data analysis
Metabolite identification was done by
MetabolitePilotTM Software version 2.0 (SCIEX). The
MS/MS spectrum of IVM was exported as text files by the PeakView
software (SCIEX) and imported to
MetabolitePilotTM software (SCIEX) as a reference spectrum for
creating the ivermectin library. Raw data files (.wiff) of metabolite
sample analyses were imported to MetabolitePilot TMsoftware and compared against the IVM-library peak finding strategies as
described in the supplementary material. For the LC-SPE-NMR/MS system,
the HPLC was operated by Hystar 3.2 (Bruker Daltonics), mass spectrum
acquired by Microtof control (Bruker Daltonics), and the NMR
spectrometer was operated by Topspin 3.5 (Bruker Biospin). The Complete
Molecular Confidence – Structure Elucidation (CMC-se) software version
2.6.1 (Bruker Biospin,) was used for structure elucidation.