[GENERAL]
AmountOfChains=1
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.3%
ChainCutoff=1%
SpectrumCoverage=12%
RetentionTimePostprocessing=false
IsobarSCExclusionRatio=0.5
IsobarSCFarExclusionRatio=0.7
MSIdentificationOrder=MSnOnly

[HEAD]
!FRAGMENTS
Name=Precursor			Formula=$PRECURSOR			Charge=1	MSLevel=2	mandatory=true
Name=NL_H2O			Formula=$PRECURSOR-H2O			Charge=1	MSLevel=2	mandatory=false
Name=PChead_184_wrong		Formula=C5H15NO4P			Charge=1	MSLevel=2	mandatory=other
Name=FA_chain			Formula=$PRECURSOR-C18H35O1N1Na1	Charge=1	MSLevel=2	mandatory=true
Name=NL_PEhead_141_WRONG	Formula=$PRECURSOR-C2H8NO4P		Charge=1	MSLevel=2	mandatory=other
Name=NL_PEhead_163_WRONG	Formula=$PRECURSOR-C2H7NO4PNa		Charge=1	MSLevel=2	mandatory=other
Name=SPH_fragment_264_WRONG	Formula=C18H34N				Charge=1	MSLevel=2	mandatory=other

!INTENSITIES
Equation=Precursor*0.3>NL_H2O					mandatory=true
Equation=Precursor>0.3*$BASEPEAK				mandatory=true
Equation=Precursor>3*(NL_PEhead_141_WRONG+NL_PEhead_163_WRONG)	mandatory=true
Equation=FA_chain*5>NL_H2O					mandatory=true
Equation=Precursor*0.5>SPH_fragment_264_WRONG			mandatory=true
