[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.01%
AlkylChains=1
ChainCutoff=20%
RetentionTimePostprocessing=true
SingleChainIdentification=true
SpectrumCoverage=10%
ClassSpecificMS1Cutoff=0.01


[HEAD]
!FRAGMENTS
Name=NL_PChead_60		Formula=$PRECURSOR-C2O2H4	Charge=1	MSLevel=2	mandatory=false
Name=PChead_168		Formula=C4H11NO4P		Charge=1	MSLevel=2	mandatory=false
Name=PChead_224		Formula=C7H15O5NP		Charge=1	MSLevel=2	mandatory=other
Name=PChead_242		Formula=C7H17O6NP		Charge=1	MSLevel=2	mandatory=false

!INTENSITIES
Equation=PChead_168*0.9>PChead_224			mandatory=true
Equation=PChead_168+PChead_224*0>PChead_224*0		mandatory=true


[CHAINS]
!FRAGMENTS
Name=Carboxy		Formula=$CHAIN-H			Charge=1	MSLevel=2	mandatory=class
Name=NL_Carboxy_head	Formula=NL_PChead_60-$CHAIN		Charge=1	MSLevel=2	mandatory=false
Name=NL_Ketene_head	Formula=NL_PChead_60-$CHAIN+H2O		Charge=1	MSLevel=2	mandatory=false
Name=Alk_Glyc_Phosph	Formula=$ALKYLCHAIN+C3H4O4P1		Charge=1	MSLevel=2	mandatory=false
Name=Alkenyl_WRONG	Formula=$ALKYLCHAIN-H			Charge=1	MSLevel=2	mandatory=other

!INTENSITIES
Equation=NL_Carboxy_head|NL_Ketene_head		mandatory=true
Equation=Carboxy*0.001>Alkenyl_WRONG		mandatory=true
Equation=Carboxy>$BASEPEAK*0.5			mandatory=true


[POSITION]
!INTENSITIES
Equation=Carboxy[2]>0*$BASEPEAK			mandatory=true