[GENERAL]
AmountOfChains=1
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
SpectrumCoverage=10%
BasePeakCutoff=0.01%
ChainCutoff=10%
RetentionTimePostprocessing=true


[HEAD]
!FRAGMENTS
Name=SPH_fragment_252	Formula=C17H34N			Charge=1	MSLevel=2	mandatory=false
Name=SPH_fragment_264	Formula=C18H34N			Charge=1	MSLevel=2	mandatory=true
Name=SPH_fragment_282	Formula=C18H36NO		Charge=1	MSLevel=2	mandatory=false
Name=NL_H2O		Formula=$PRECURSOR-H2O		Charge=1	MSLevel=2	mandatory=false
Name=NL_2xH2O_36	Formula=$PRECURSOR-H4O2		Charge=1	MSLevel=2	mandatory=false

!INTENSITIES
Equation=SPH_fragment_264>SPH_fragment_282+SPH_fragment_252	mandatory=true