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


[HEAD]
!Fragments
Name=Precursor		Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=true
Name=PEhead_140		Formula=C2H7NO4P		Charge=1	MSLevel=2	mandatory=false
Name=PEhead_196		Formula=C5H11O5PN		Charge=1	MSLevel=2	mandatory=false
Name=PEhead_214		Formula=C5H13O6PN		Charge=1	MSLevel=2	mandatory=false
Name=PChead_224		Formula=C7H15O5NP		Charge=1	MSLevel=2	mandatory=other
Name=PChead_242		Formula=C7H17O6NP		Charge=1	MSLevel=2	mandatory=other
Name=LPC_chain		Formula=$PRECURSOR-PChead_224-H	Charge=1	MSLevel=2	mandatory=other

!Intensities
Equation=Precursor>PEhead_196+PEhead_214		mandatory=true
Equation=PEhead_140+PEhead_196+0*Precursor>0*Precursor	mandatory=true
Equation=LPC_chain<0.5*Precursor			mandatory=true

	
[CHAINS]
!FRAGMENTS
Name=Carboxy	Formula=$CHAIN-H	Charge=1	MSLevel=2	mandatory=true

!INTENSITIES
Equation=Carboxy>0.05*$BASEPEAK		mandatory=true
Equation=Carboxy>0.05*Precursor		mandatory=true


