[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.05%
ChainCutoff=60%
RetentionTimePostprocessing=true
SpectrumCoverage=5%

[HEAD]
!FRAGMENTS
Name=NL_PEhead_141		Formula=$PRECURSOR-C2H8NO4P	Charge=1	MSLevel=2	mandatory=true
Name=NL_Na_wrong		Formula=$PRECURSOR-C2H5N	Charge=1	MSLevel=2	mandatory=other
Name=PEhead_Na_164_wrong	Formula=C2H8NO4PNa		Charge=1	MSLevel=2	mandatory=other
Name=Na_phosphate_wrong		Formula=H3PO4Na			Charge=1	MSLevel=2	mandatory=other

!INTENSITIES
Equation=NL_PEhead_141>0.3*$BASEPEAK						mandatory=true
Equation=NL_PEhead_141*0.9>NL_Na_wrong						mandatory=true
Equation=NL_PEhead_141*0.9>PEhead_Na_164_wrong					mandatory=true
Equation=NL_PEhead_141*0.8>Na_phosphate_wrong					mandatory=true
Equation=NL_PEhead_141*0.5>NL_Na_wrong+PEhead_Na_164_wrong+Na_phosphate_wrong	mandatory=true


[CHAINS]
!FRAGMENTS
Name=Carboxy_OH		Formula=$CHAIN-OH			Charge=1	MSLevel=2	mandatory=false
Name=Carboxy_H2O_OH	Formula=$CHAIN-H3O2			Charge=1	MSLevel=2	mandatory=false
Name=NL_Carboxy		Formula=$PRECURSOR-$CHAIN		Charge=1	MSLevel=2	mandatory=false
Name=NL_Ketene		Formula=$PRECURSOR-$CHAIN+H2O		Charge=1	MSLevel=2	mandatory=false
Name=NL_Ketene_Head	Formula=NL_PEhead_141-$CHAIN+H2O	Charge=1	MSLevel=2	mandatory=true

!INTENSITIES
Equation=NL_Ketene_Head*1.2>Carboxy_H2O_OH	mandatory=true
Equation=NL_Ketene_Head>NL_Ketene		mandatory=true
Equation=NL_Ketene_Head*2>Carboxy_OH		mandatory=true


[POSITION]
!INTENSITIES
Equation=(NL_Carboxy[2]+NL_Ketene[2]+0*NL_Ketene_Head[2])*0.7>NL_Carboxy[1]+NL_Ketene[1]+0*NL_Ketene_Head[1]	mandatory=false