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


[HEAD]
!FRAGMENTS
Name=Precursor			Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=false
Name=NL_PEhead_141		Formula=$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=Precursor+NL_PEhead_141*0<0.2*$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

[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
