[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


[HEAD]
!FRAGMENTS
Name=Precursor_WRONG			Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=other
Name=PEhead_WRONG			Formula=$PRECURSOR-P1O4C2N1H8	Charge=1	MSLevel=2	mandatory=other
Name=PEhead_164_WRONG			Formula=C2H8NO4PNa		Charge=1	MSLevel=2	mandatory=other
Name=PChead_WRONG			Formula=C5H15NO4P		Charge=1	MSLevel=2	mandatory=other
Name=NL_Ethanolamine_43_WRONG		Formula=$PRECURSOR-C2H5N	Charge=1	MSLevel=2	mandatory=other

!INTENSITIES
Equation=PEhead_WRONG<$BASEPEAK				mandatory=true
Equation=PChead_WRONG<$BASEPEAK				mandatory=true
Equation=NL_Ethanolamine_43_WRONG<0.8*$BASEPEAK		mandatory=true
Equation=Precursor_WRONG<0.2*$BASEPEAK			mandatory=true
Equation=Precursor_WRONG<PEhead_WRONG+PChead_WRONG	mandatory=false


[CHAINS]
!FRAGMENTS
Name=plasmalogen	Formula=$ALKENYLCHAIN+C2H7O3PN		Charge=1	MSLevel=2	mandatory=false
Name=plasmalogen_H3PO4	Formula=$ALKENYLCHAIN+C2H7O3PN-H3PO4	Charge=1	MSLevel=2	mandatory=false
Name=sn2		Formula=$CHAIN+C3H5O			Charge=1	MSLevel=2	mandatory=true

!INTENSITIES
Equation=plasmalogen>0.05*$BASEPEAK		mandatory=true
Equation=sn2>0.30*$BASEPEAK			mandatory=true
Equation=plasmalogen>0.5*Precursor_WRONG	mandatory=true
Equation=sn2>0.5*Precursor_WRONG		mandatory=true


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

