[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.01%
SpectrumCoverage=10%
ChainCutoff=10%
AlkenylChains=1
RetentionTimePostprocessing=true
SingleChainIdentification=false
ClassSpecificMS1Cutoff=0.01


[HEAD]
!FRAGMENTS
Name=NL_Ethanolamine_43		Formula=$PRECURSOR-C2H5N	Charge=1	MSLevel=2	mandatory=true
Name=NL_PEhead_123		Formula=$PRECURSOR-C2H6NO3P	Charge=1	MSLevel=2	mandatory=false
Name=NL_PEhead_141		Formula=$PRECURSOR-C2H8NO4P	Charge=1	MSLevel=2	mandatory=false
Name=NL_PEhead_163		Formula=$PRECURSOR-C2H7NO4PNa	Charge=1	MSLevel=2	mandatory=false
Name=Precursor			Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=other
Name=PChead_184_WRONG		Formula=C5H15NO4P		Charge=1	MSLevel=2	mandatory=other
Name=NL_trimethylamine_59_WRONG	Formula=$PRECURSOR-C3H9N	Charge=1	MSLevel=2	mandatory=other

!INTENSITIES
Equation=NL_Ethanolamine_43>0.10*$BASEPEAK					mandatory=true
Equation=NL_Ethanolamine_43>0.25*Precursor					mandatory=true
Equation=NL_trimethylamine_59_WRONG<0.5*$BASEPEAK				mandatory=true
Equation=NL_PEhead_163+NL_PEhead_141+NL_PEhead_123+0*$BASEPEAK>0.01*$BASEPEAK	mandatory=true
Equation=NL_Ethanolamine_43>NL_PEhead_141					mandatory=true
Equation=PChead_184_WRONG+NL_trimethylamine_59_WRONG<NL_Ethanolamine_43*0.02	mandatory=true


[CHAINS]
!FRAGMENTS
Name=sn2		Formula=$CHAIN+C3H4O+Na				Charge=1	MSLevel=2	mandatory=false
Name=NL_sn2		Formula=$PRECURSOR-$CHAIN-C3H4O			Charge=1	MSLevel=2	mandatory=true
Name=NL_plasmalogen	Formula=NL_Ethanolamine_43-$ALKENYLCHAIN	Charge=1	MSLevel=2	mandatory=true
Name=NL_plasm_H2O	Formula=NL_plasmalogen+H2O			Charge=1	MSLevel=2	mandatory=false

!INTENSITIES
Equation=NL_sn2+sn2>0.01*$BASEPEAK	mandatory=true


[POSITION]
!INTENSITIES
Equation=sn2[2]>0*NL_plasmalogen[2]+0*$BASEPEAK	mandatory=true
Equation=NL_plasmalogen[1]>0*sn2[1]+0*$BASEPEAK	mandatory=true