[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.02%
ChainCutoff=10%
RetentionTimePostprocessing=true


[HEAD]
!FRAGMENTS
Name=Precursor			Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=false
Name=Na_phosphate		Formula=H3PO4Na			Charge=1	MSLevel=2	mandatory=false
Name=PEhead_164			Formula=C2H8NO4PNa		Charge=1	MSLevel=2	mandatory=false
Name=NL_Ethanolamine-H2O_43	Formula=$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=true

!INTENSITIES
Equation=NL_PEhead_141*1.5>NL_Ethanolamine-H2O_43									mandatory=true
Equation=Na_phosphate+PEhead_164+NL_PEhead_123+NL_PEhead_141+0*NL_PEhead_163>0*NL_Ethanolamine-H2O_43			mandatory=true
Equation=Na_phosphate+NL_PEhead_163+PEhead_164+NL_PEhead_123+NL_Ethanolamine-H2O_43+Precursor>NL_PEhead_141*0.4		mandatory=true
