Identification of lipids by MS/MS experiments: Lipid identification, major ions in both positive and negative ionization mode, retention times and exact masses.
This MassBank record with Accession MSBNK-Washington_State_Univ-BML82178 contains the MS mass spectrum of Shikimic acid with the InChIkey JXOHGGNKMLTUBP-UHFFFAOYSA-N.
This MassBank record with Accession MSBNK-Fiocruz-FIO00768 contains the MS2 mass spectrum of Anhydrocochlioquinone A with the InChIkey CBLRPZZCLBREIA-YYRMTXNWSA-N.
External Utilities used by inSPIRE. Note this includes script from the open source fragpipe tool. Source of this script https://github.com/Nesvilab/FragPipe
