[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.02%
ChainCutoff=50%
RetentionTimePostprocessing=true
SpectrumCoverage=10%


[HEAD]
!FRAGMENTS
Name=-PC(59)	Formula=$PRECURSOR-C3H9N	Charge=1	MSLevel=2	mandatory=true
Name=-PC(183)	Formula=$PRECURSOR-C5H14NO4P	Charge=1	MSLevel=2	mandatory=true
Name=-PC(205)	Formula=$PRECURSOR-C5H13NO4PNa	Charge=1	MSLevel=2	mandatory=true
Name=-PC(60)	Formula=-PC(59)-H	Charge=1	MSLevel=2	mandatory=other
Name=PC(184)	Formula=C5H15NO4P		Charge=1	MSLevel=2	mandatory=other
Name=-PE(141)	Formula=$PRECURSOR-C2H8NO4P	Charge=1	MSLevel=2	mandatory=other

!INTENSITIES
Equation=-PC(59)>0.9*$BASEPEAK		mandatory=true
Equation=-PC(59)*0.9>-PC(183)		mandatory=true
Equation=-PC(183)*0.5>-PC(205)		mandatory=true
Equation=-PC(60)<0.02*$BASEPEAK	mandatory=true
Equation=-PC(59)>3*PC(184)	mandatory=true
Equation=-PC(59)*2>-PE(141)		mandatory=true


[CHAINS]
!FRAGMENTS
Name=-FA (+HO)		Formula=$PRECURSOR-$CHAIN		Charge=1	MSLevel=2	mandatory=true
Name=-FA (+ONa)		Formula=$PRECURSOR-$CHAIN+H-Na		Charge=1	MSLevel=2	mandatory=false
Name=-FA (+HO) -PC(59)	Formula=$PRECURSOR-$CHAIN-NC3H9		Charge=1	MSLevel=2	mandatory=true
Name=-FA (+ONa) -PC(59)	Formula=$PRECURSOR-$CHAIN-NC3H8Na	Charge=1	MSLevel=2	mandatory=false


[POSITION]
!INTENSITIES
Equation=-FA (+HO) -PC(59)[1]*0.7>-FA (+HO) -PC(59)[2]		mandatory=true
Equation=-FA (+ONa) -PC(59)[1]*0.5>-FA (+ONa) -PC(59)[2]	mandatory=true
Equation=-FA (+HO)[1]*0.7>-FA (+HO)[2]				mandatory=false
