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


[HEAD]
!FRAGMENTS
Name=Precursor		Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=false
Name=NL_H2O		Formula=$PRECURSOR-H2O		Charge=1	MSLevel=2	mandatory=false
Name=NL_Ethanolamine_43	Formula=$PRECURSOR-C2H5N	Charge=1	MSLevel=2	mandatory=false
Name=NL_PEhead_61	Formula=$PRECURSOR-C2H7NO	Charge=1	MSLevel=2	mandatory=false
Name=NL_PEhead_141	Formula=$PRECURSOR-C2H8NO4P	Charge=1	MSLevel=2	mandatory=other
Name=NL_PEhead_163	Formula=$PRECURSOR-C2H7NO4PNa	Charge=1	MSLevel=2	mandatory=false

!INTENSITIES
Equation=NL_PEhead_141<0.2*$BASEPEAK				mandatory=false
Equation=NL_PEhead_61+NL_Ethanolamine_43>0*$BASEPEAK		mandatory=true
