[GENERAL]
AmountOfChains=1
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.1%
RetentionTimePostprocessing=true
SpectrumCoverage=10%

[HEAD]
!FRAGMENTS
Name=Precursor		Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=false
Name=PChead_60		Formula=C3H10N			Charge=1	MSLevel=2	mandatory=false
Name=PChead_86		Formula=C5H12N			Charge=1	MSLevel=2	mandatory=false
Name=PChead_104		Formula=C5H14NO			Charge=1	MSLevel=2	mandatory=false
Name=PChead_125		Formula=C2H6O4P			Charge=1	MSLevel=2	mandatory=false
Name=PChead_184		Formula=C5H15NO4P		Charge=1	MSLevel=2	mandatory=true
Name=NL_H2O		Formula=$PRECURSOR-H2O		Charge=1	MSLevel=2	mandatory=false
Name=NL_PChead_183	Formula=$PRECURSOR-C5H14NO4P	Charge=1	MSLevel=2	mandatory=false

!INTENSITIES
Equation=(PChead_104+PChead_184)>Precursor				mandatory=true
Equation=(PChead_184+PChead_104)>$BASEPEAK*0.7				mandatory=true
Equation=PChead_184*3>PChead_104					mandatory=true
Equation=(PChead_184+PChead_104)*0.7>NL_PChead_183			mandatory=true


[CHAINS]
!FRAGMENTS
Name=NL_Ketene		Formula=$PRECURSOR-$CHAIN+H2O	Charge=1	MSLevel=2	mandatory=false
Name=NL_Carboxy		Formula=$PRECURSOR-$CHAIN	Charge=1	MSLevel=2	mandatory=false
