[GENERAL]
AmountOfChains=3
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=1%
ChainCutoff=45%
SpectrumCoverage=35%
RetentionTimePostprocessing=true
RetentionTimeParallelSeries=true


[HEAD]
!FRAGMENTS
Name=-TG(17)	Formula=$PRECURSOR-NH3		Charge=1	MSLevel=2	mandatory=false
Name=-TG(35)	Formula=$PRECURSOR-NH3-H2O	Charge=1	MSLevel=2	mandatory=false


[CHAINS]
!FRAGMENTS
Name=FA			Formula=$CHAIN-OH		Charge=1	MSLevel=2	mandatory=false
Name=FA (-H2O)		Formula=$CHAIN-H3O2		Charge=1	MSLevel=2	mandatory=false
Name=-FA (+HO) -TG(17)	Formula=$PRECURSOR-$CHAIN-NH3	Charge=1	MSLevel=2	mandatory=true
Name=FA (+C3HO2D5)	Formula=$CHAIN+C3D5O		Charge=1	MSLevel=2	mandatory=false
Name=FA (+C3H6O2)	Formula=$CHAIN+C3H5O		Charge=1	MSLevel=2	mandatory=false

!INTENSITIES
Equation=-FA (+HO) -TG(17)*3>FA (+C3H6O2)+FA (+C3HO2D5)	mandatory=true
Equation=-FA (+HO) -TG(17)>FA+FA (-H2O)			mandatory=true


