[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=1%
ChainCutoff=10%
RetentionTimePostprocessing=false
SpectrumCoverage=25%
ClassSpecificMS1Cutoff=0.001

[HEAD]
!FRAGMENTS
Name=PE(140)		Formula=C2H7NO4P		Charge=1	MSLevel=2	mandatory=other
Name=PE(196)		Formula=C5H11O5PN		Charge=1	MSLevel=2	mandatory=other
Name=Precursor		Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=other
Name=-PC(60)		Formula=$PRECURSOR-C2O2H4	Charge=1	MSLevel=2	mandatory=other
Name=-PS(87)		Formula=$PRECURSOR-C3H5NO2	Charge=1	MSLevel=2	mandatory=other

!INTENSITIES
Equation=PE(140)<0.01*$BASEPEAK	mandatory=true
Equation=PE(196)<0.01*$BASEPEAK	mandatory=true
Equation=-PC(60)<0.2*Precursor		mandatory=true
Equation=-PS(87)<0.01*$BASEPEAK	mandatory=true


[CHAINS]
!FRAGMENTS
Name=FA (+O)		Formula=$CHAIN-H		Charge=1	MSLevel=2	mandatory=true
Name=-FA (+HO)		Formula=$PRECURSOR-$CHAIN	Charge=1	MSLevel=2	mandatory=false
Name=-FA (-H)		Formula=$PRECURSOR-$CHAIN+H2O	Charge=1	MSLevel=2	mandatory=false

!INTENSITIES
Equation=FA (+O)>-FA (-H)	mandatory=true
Equation=-FA (-H)*1.5>-FA (+HO)	mandatory=true

[POSITION]
!INTENSITIES
Equation=FA (+O)[2]*0.7>FA (+O)[1]	mandatory=true
Equation=-FA (-H)[2]*0.9>-FA (-H)[1]	mandatory=false

